#------------------------------------------------------------------------------ #$Date: 2022-04-03 21:15:18 +0100 (Sun, 03 Apr 2022) $ #$Revision: 274265 $ #$URL: svn://www.crystallography.net/cod/cif/4/51/94/4519410.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4519410 loop_ _publ_author_name 'Ryll, Christopher' 'Kraushaar, Konstantin' 'Wagler, J\"org' 'Brendler, Erica' 'Kroke, Edwin' _publ_section_title ; Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ; _journal_issue 11 _journal_name_full 'ACS omega' _journal_page_first 9527 _journal_page_last 9536 _journal_paper_doi 10.1021/acsomega.1c06868 _journal_volume 7 _journal_year 2022 _chemical_formula_moiety 'C18 H38 N4 O8 Si2, C4 H8 O' _chemical_formula_sum 'C22 H46 N4 O9 Si2' _chemical_formula_weight 566.81 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary ShelXT _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 72.610(5) _cell_angle_beta 89.884(5) _cell_angle_gamma 68.752(5) _cell_formula_units_Z 2 _cell_length_a 10.2419(7) _cell_length_b 11.9781(8) _cell_length_c 13.8119(8) _cell_measurement_reflns_used 24109 _cell_measurement_temperature 180(2) _cell_measurement_theta_max 28.37 _cell_measurement_theta_min 2.80 _cell_volume 1496.25(18) _computing_cell_refinement 'STOE X-AREA' _computing_data_collection 'STOE X-AREA' _computing_data_reduction 'STOE X-RED' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution SHELXT _diffrn_ambient_temperature 180(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Stoe IPDS 2T' _diffrn_measurement_method 'omega scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0217 _diffrn_reflns_av_unetI/netI 0.0164 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 21361 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.999 _diffrn_reflns_theta_min 2.800 _exptl_absorpt_coefficient_mu 0.170 _exptl_absorpt_correction_T_max 0.9864 _exptl_absorpt_correction_T_min 0.9193 _exptl_absorpt_correction_type integration _exptl_absorpt_process_details XShape _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.258 _exptl_crystal_description plate _exptl_crystal_F_000 612 _exptl_crystal_size_max 0.600 _exptl_crystal_size_mid 0.400 _exptl_crystal_size_min 0.100 _refine_diff_density_max 0.559 _refine_diff_density_min -0.297 _refine_diff_density_rms 0.049 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 402 _refine_ls_number_reflns 7219 _refine_ls_number_restraints 88 _refine_ls_restrained_S_all 1.080 _refine_ls_R_factor_all 0.0447 _refine_ls_R_factor_gt 0.0371 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0509P)^2^+0.6016P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0990 _refine_ls_wR_factor_ref 0.1035 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6242 _reflns_number_total 7219 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ao1c06868_si_002.cif _cod_data_source_block cr-kk268_02 _cod_original_cell_volume 1496.26(18) _cod_database_code 4519410 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.905 _shelx_estimated_absorpt_t_max 0.983 _shelx_res_file ; cr-kk268_02.res created by SHELXL-2014/7 TITL CR-KK268_02 CELL 0.71073 10.2419 11.9781 13.8119 72.610 89.884 68.752 ZERR 2.00 0.0007 0.0008 0.0008 0.005 0.005 0.005 LATT 1 SFAC C H N O Si UNIT 44 92 8 18 4 OMIT 0 56 omit -6 1 16 L.S. 8 ACTA BOND $H CONF TEMP -93 SIZE 0.60 0.40 0.10 FMAP 2 eadp c18 c18a exyz c18 c18a PLAN 20 WGHT 0.050900 0.601600 FVAR 0.62271 SI1 5 0.428111 0.600926 0.500415 11.00000 0.01750 0.01709 = 0.01849 -0.00705 0.00207 -0.00605 O1 4 0.490126 0.675922 0.566784 11.00000 0.02466 0.01909 = 0.02144 -0.00694 -0.00200 -0.00767 O2 4 0.655734 0.494403 0.666084 11.00000 0.03354 0.02129 = 0.03376 -0.00915 -0.01015 -0.00539 O3 4 0.501098 0.671528 0.384724 11.00000 0.02700 0.01906 = 0.02317 -0.00762 0.00902 -0.00835 O4 4 0.639424 0.477820 0.379693 11.00000 0.02398 0.01945 = 0.02308 -0.00710 0.00794 -0.00691 N1 3 0.628608 0.678886 0.691620 11.00000 0.03696 0.02218 = 0.03155 -0.00765 -0.01187 -0.00972 H1N 2 0.693182 0.637467 0.739247 11.00000 0.03331 N2 3 0.625034 0.650373 0.251874 11.00000 0.03186 0.02189 = 0.02778 -0.00676 0.01397 -0.00767 H2N 2 0.687465 0.600212 0.227877 11.00000 0.03872 C1 1 0.594744 0.610090 0.642510 11.00000 0.02339 0.02291 = 0.02118 -0.00781 0.00094 -0.00932 C2 1 0.572862 0.815274 0.665366 11.00000 0.03423 0.02330 = 0.03205 -0.01173 -0.00353 -0.00993 AFIX 23 H2A 2 0.539326 0.839102 0.726339 11.00000 -1.20000 H2B 2 0.491151 0.852198 0.611912 11.00000 -1.20000 AFIX 0 C3 1 0.682961 0.868928 0.626982 11.00000 0.04987 0.03686 = 0.06305 -0.01156 0.00731 -0.02476 AFIX 23 H3A 2 0.704044 0.857937 0.559669 11.00000 -1.20000 H3B 2 0.770960 0.820781 0.674874 11.00000 -1.20000 AFIX 0 C4 1 0.636483 1.007532 0.616466 11.00000 0.09344 0.03711 = 0.07304 -0.00745 -0.00770 -0.03894 AFIX 137 H4A 2 0.545649 1.054895 0.573294 11.00000 -1.50000 H4B 2 0.707189 1.039603 0.585114 11.00000 -1.50000 H4C 2 0.626497 1.017913 0.684175 11.00000 -1.50000 AFIX 0 C5 1 0.587101 0.599537 0.340439 11.00000 0.02002 0.02196 = 0.02235 -0.00795 0.00437 -0.00906 C6 1 0.577267 0.785367 0.197281 11.00000 0.03355 0.02445 = 0.03034 -0.00368 0.01098 -0.00814 AFIX 23 H6A 2 0.500097 0.831812 0.230674 11.00000 -1.20000 H6B 2 0.539137 0.802261 0.126307 11.00000 -1.20000 AFIX 0 C7 1 0.695163 0.833445 0.195216 11.00000 0.05354 0.03442 = 0.05263 -0.00555 -0.00152 -0.02412 AFIX 23 H7A 2 0.775609 0.782202 0.167158 11.00000 -1.20000 H7B 2 0.727859 0.823190 0.265897 11.00000 -1.20000 AFIX 0 C8 1 0.647999 0.972462 0.130462 11.00000 0.07584 0.03597 = 0.06401 -0.00633 0.01496 -0.03145 AFIX 137 H8A 2 0.620848 0.982187 0.059519 11.00000 -1.50000 H8B 2 0.725821 1.001104 0.133178 11.00000 -1.50000 H8C 2 0.567078 1.023261 0.157155 11.00000 -1.50000 AFIX 0 C9 1 0.243508 0.710162 0.445919 11.00000 0.01997 0.02426 = 0.02497 -0.00750 0.00095 -0.00611 AFIX 137 H9A 2 0.196673 0.748704 0.496421 11.00000 -1.50000 H9B 2 0.192035 0.662645 0.428430 11.00000 -1.50000 H9C 2 0.244799 0.776545 0.384266 11.00000 -1.50000 AFIX 0 SI2 5 1.072422 0.398841 0.052064 11.00000 0.01810 0.01782 = 0.01716 -0.00591 0.00208 -0.00581 O5 4 1.000355 0.328419 -0.027812 11.00000 0.02740 0.01984 = 0.02171 -0.00645 -0.00313 -0.00839 O6 4 0.860480 0.522489 -0.131509 11.00000 0.02527 0.01924 = 0.02321 -0.00724 -0.00366 -0.00704 O7 4 1.010275 0.323044 0.156419 11.00000 0.02442 0.02088 = 0.02117 -0.00742 0.00701 -0.00740 O8 4 0.844491 0.502998 0.164978 11.00000 0.03424 0.02216 = 0.03286 -0.00671 0.01457 -0.00592 N3 3 0.874490 0.349971 -0.170577 11.00000 0.03028 0.02103 = 0.02723 -0.00852 -0.00688 -0.00746 H3N 2 0.812197 0.399038 -0.222016 11.00000 0.03334 N4 3 0.868459 0.315787 0.280473 11.00000 0.03841 0.02352 = 0.03439 -0.00793 0.02026 -0.00997 H4N 2 0.801892 0.356313 0.307330 11.00000 0.03596 C10 1 0.913340 0.400609 -0.108372 11.00000 0.02056 0.02171 = 0.02128 -0.00798 0.00210 -0.00865 C11 1 0.922797 0.215226 -0.156108 11.00000 0.03276 0.02274 = 0.03123 -0.01156 -0.00352 -0.00864 AFIX 23 H11A 2 1.002766 0.168963 -0.100914 11.00000 -1.20000 H11B 2 0.957251 0.199545 -0.219681 11.00000 -1.20000 AFIX 0 C12 1 0.807031 0.165040 -0.128917 11.00000 0.05413 0.03609 = 0.06083 -0.02034 0.01874 -0.02652 AFIX 23 H12A 2 0.722037 0.219021 -0.178901 11.00000 -1.20000 H12B 2 0.782038 0.169432 -0.060505 11.00000 -1.20000 AFIX 0 C13 1 0.851685 0.028722 -0.128535 11.00000 0.08222 0.03681 = 0.06671 -0.01724 0.00868 -0.03555 AFIX 137 H13A 2 0.868361 0.025218 -0.197654 11.00000 -1.50000 H13B 2 0.776801 -0.002352 -0.105990 11.00000 -1.50000 H13C 2 0.938569 -0.024239 -0.081717 11.00000 -1.50000 AFIX 0 C14 1 0.904214 0.387287 0.198446 11.00000 0.02513 0.02462 = 0.02160 -0.00932 0.00599 -0.01011 C15 1 0.923863 0.178526 0.320248 11.00000 0.03361 0.02446 = 0.03420 -0.00358 0.01146 -0.01041 AFIX 23 H15A 2 0.965924 0.150497 0.392067 11.00000 -1.20000 H15B 2 0.999408 0.143896 0.280166 11.00000 -1.20000 AFIX 0 C16 1 0.810905 0.127279 0.315439 11.00000 0.04747 0.03333 = 0.07210 -0.00999 -0.00504 -0.01879 AFIX 23 H16A 2 0.775361 0.148775 0.242973 11.00000 -1.20000 H16B 2 0.731180 0.168834 0.349527 11.00000 -1.20000 AFIX 0 C17 1 0.862202 -0.015089 0.365686 11.00000 0.06589 0.03637 = 0.06621 -0.01182 0.01123 -0.02744 AFIX 137 H17A 2 0.938366 -0.057112 0.330371 11.00000 -1.50000 H17B 2 0.783940 -0.042803 0.361537 11.00000 -1.50000 H17C 2 0.897374 -0.037142 0.437546 11.00000 -1.50000 AFIX 0 part 1 10.5 C18 1 1.256345 0.287908 0.054050 10.50000 0.02012 0.02569 = 0.02563 -0.01032 0.00276 -0.00529 AFIX 137 H18A 2 1.317550 0.286827 0.109052 10.50000 -1.50000 H18B 2 1.290564 0.315924 -0.011631 10.50000 -1.50000 H18C 2 1.257556 0.202687 0.065773 10.50000 -1.50000 AFIX 0 part 2 10.5 C18A 1 1.256345 0.287908 0.054050 10.50000 0.02012 0.02569 = 0.02563 -0.01032 0.00276 -0.00529 AFIX 137 H18D 2 1.257574 0.242774 0.005214 10.50000 -1.50000 H18E 2 1.290524 0.226903 0.122851 10.50000 -1.50000 H18F 2 1.317572 0.335761 0.035128 10.50000 -1.50000 AFIX 0 part 0 part -1 10.5 sadi 0.02 o9 c19 o9 c22 sadi 0.02 c19 c20 c20 c21 c21 c22 simu 0.015 0.015 o9 c19 c20 c21 c22 delu 0.015 0.015 o9 c19 c20 c21 c22 O9 4 1.041358 0.388304 0.595818 10.50000 0.08413 0.09281 = 0.07856 -0.01187 -0.00769 -0.02966 C19 1 1.084579 0.397248 0.493814 10.50000 0.07018 0.08771 = 0.09232 -0.02097 0.03889 -0.00375 AFIX 23 H19A 2 1.085979 0.322710 0.475985 10.50000 -1.20000 H19B 2 1.181205 0.397331 0.493328 10.50000 -1.20000 AFIX 0 C20 1 0.986459 0.514127 0.416911 10.50000 0.06926 0.06655 = 0.05572 -0.02052 0.00731 -0.03764 AFIX 23 H20A 2 0.917788 0.496258 0.379753 10.50000 -1.20000 H20B 2 1.038368 0.554821 0.367057 10.50000 -1.20000 AFIX 0 C21 1 0.913574 0.596253 0.481104 10.50000 0.04968 0.10091 = 0.05415 -0.02448 0.01576 -0.02855 AFIX 23 H21A 2 0.923450 0.679064 0.457051 10.50000 -1.20000 H21B 2 0.812058 0.610416 0.479245 10.50000 -1.20000 AFIX 0 C22 1 0.989088 0.521260 0.585871 10.50000 0.06187 0.09074 = 0.06912 -0.03368 0.01458 -0.04275 AFIX 23 H22A 2 1.068704 0.545834 0.597500 10.50000 -1.20000 H22B 2 0.923951 0.538166 0.637456 10.50000 -1.20000 AFIX 0 part 0 part -1 sadi 0.02 o10 c23 o10 c26 sadi 0.02 c23 c24 c24 c25 c25 c26 simu 0.015 0.015 o10 c23 c24 c25 c26 delu 0.015 0.015 o10 c23 c24 c25 c26 O10 4 0.458712 0.576656 0.901735 10.50000 0.11957 0.26716 = 0.11967 -0.05439 -0.00125 -0.05178 C23 1 0.414580 0.610621 0.992581 10.50000 0.10351 0.15038 = 0.12657 -0.04593 0.07433 -0.01931 AFIX 23 H23A 2 0.312252 0.629841 0.994243 10.50000 -1.20000 H23B 2 0.432460 0.686796 0.991621 10.50000 -1.20000 AFIX 0 C24 1 0.493739 0.505306 1.082458 10.50000 0.05780 0.06108 = 0.08221 -0.04174 0.03063 -0.03700 AFIX 23 H24A 2 0.429301 0.475710 1.127200 10.50000 -1.20000 H24B 2 0.552663 0.530091 1.122078 10.50000 -1.20000 AFIX 0 C25 1 0.584965 0.403446 1.040503 10.50000 0.04216 0.14671 = 0.05748 -0.06234 0.01328 -0.03161 AFIX 23 H25A 2 0.682395 0.401586 1.041073 10.50000 -1.20000 H25B 2 0.588302 0.319880 1.084029 10.50000 -1.20000 AFIX 0 C26 1 0.528682 0.428204 0.939219 10.50000 0.06452 0.22394 = 0.08545 -0.10406 0.01210 -0.04268 AFIX 23 H26A 2 0.457939 0.389975 0.937995 10.50000 -1.20000 H26B 2 0.603748 0.397091 0.897542 10.50000 -1.20000 part 0 AFIX 0 HKLF 4 REM CR-KK268_02 REM R1 = 0.0371 for 6242 Fo > 4sig(Fo) and 0.0447 for all 7219 data REM 402 parameters refined using 88 restraints END WGHT 0.0509 0.6016 REM Highest difference peak 0.559, deepest hole -0.297, 1-sigma level 0.049 Q1 1 0.5344 0.3727 0.9613 11.00000 0.05 0.56 Q2 1 1.0000 0.5000 0.0000 10.50000 0.05 0.44 Q3 1 0.5000 0.5000 0.5000 10.50000 0.05 0.41 Q4 1 1.1735 0.3376 0.0576 11.00000 0.05 0.38 Q5 1 0.3238 0.6745 0.4629 11.00000 0.05 0.34 Q6 1 0.3844 0.6647 0.9624 11.00000 0.05 0.33 Q7 1 0.4495 0.6335 0.8795 11.00000 0.05 0.31 Q8 1 0.5960 0.4520 0.9341 11.00000 0.05 0.31 Q9 1 0.8436 0.1207 0.2640 11.00000 0.05 0.28 Q10 1 0.6262 0.8059 0.2376 11.00000 0.05 0.27 Q11 1 0.8975 0.2555 0.2957 11.00000 0.05 0.27 Q12 1 0.8794 0.3456 0.2362 11.00000 0.05 0.26 Q13 1 0.7183 0.1744 0.2799 11.00000 0.05 0.26 Q14 1 0.8754 0.5703 0.4206 11.00000 0.05 0.25 Q15 1 1.0300 0.3640 -0.0003 11.00000 0.05 0.25 Q16 1 0.6377 0.6357 0.3065 11.00000 0.05 0.25 Q17 1 0.5758 0.4380 1.0133 11.00000 0.05 0.25 Q18 1 0.9584 0.3542 0.1754 11.00000 0.05 0.24 Q19 1 0.5501 0.6380 0.3725 11.00000 0.05 0.24 Q20 1 0.6007 0.7412 0.6753 11.00000 0.05 0.24 ; _shelx_res_checksum 25434 _shelx_hkl_file ; -11 2 3 80.53 1.14 0 -11 3 6 2.87 1.01 0 -10 1 -6 9.31 1.01 0 -10 1 -5 12.96 0.82 0 -10 1 2 17.97 0.75 0 -10 1 3 12.53 0.90 0 -10 2 5 130.96 1.35 0 -10 3 7 14.89 0.79 0 -10 4 9 15.26 1.08 0 -9 0 -5 0.86 0.75 0 -9 0 -4 47.28 0.95 0 -9 0 -1 14.66 0.75 0 -9 0 0 1.00 0.63 0 -9 0 1 6.04 0.95 0 -9 1 -8 1.05 0.72 0 -9 1 4 10.33 0.73 0 -9 4 10 9.43 0.94 0 -8 0 -7 321.96 1.93 0 -8 0 2 86.61 1.16 0 -8 5 12 5.41 1.01 0 -7 -1 -5 93.26 1.33 0 -7 -1 -4 16.81 1.01 0 -7 -1 -3 307.86 1.85 0 -7 -1 -2 2.29 0.97 0 -7 0 3 582.34 2.59 0 -7 1 6 54.81 1.01 0 -7 2 8 0.48 0.57 0 -6 -1 -6 204.94 1.79 0 -6 -1 -5 8.34 0.75 0 -6 -1 -1 0.62 0.66 0 -6 -1 0 11.03 0.95 0 -6 0 -9 92.06 1.19 0 -6 0 4 412.52 2.50 0 -6 1 -11 93.83 1.29 0 -6 5 13 3.23 0.91 0 -6 6 14 6.55 1.04 0 -5 -1 -7 16.02 0.99 0 -5 -1 -6 32.70 0.95 0 -5 -1 0 1.38 1.03 0 -5 0 -10 92.62 1.46 0 -5 0 4 164.51 1.68 0 -5 2 -13 13.41 1.08 0 -4 -1 -7 85.92 1.51 0 -4 0 -10 2.85 0.67 0 -4 0 4 364.47 2.77 0 -4 1 -12 6.50 0.97 0 -3 -1 -6 -0.09 1.06 0 -3 -1 -1 308.51 2.77 0 -3 0 -10 15.77 1.05 0 -3 1 -12 177.74 2.06 0 -2 1 -12 5.96 0.87 0 -1 0 -9 174.06 2.47 0 0 3 -14 -0.03 0.98 0 0 4 -15 76.98 2.21 0 0 5 12 2.42 1.27 0 1 2 -12 14.38 1.84 0 2 4 9 13.71 0.88 0 3 8 14 74.87 1.50 0 3 9 15 11.11 1.04 0 3 10 16 -0.29 0.98 0 4 2 -1 10.92 1.25 0 4 3 -10 5.22 1.08 0 4 8 13 32.25 1.18 0 5 3 1 89.73 1.29 0 5 5 7 11.45 0.82 0 5 6 9 198.68 1.70 0 5 8 12 2.45 0.95 0 6 4 2 1349.27 3.87 0 6 5 5 86.46 1.40 0 6 6 -12 6.67 0.91 0 6 8 11 24.26 0.86 0 7 5 2 61.26 1.29 0 7 9 11 12.95 0.84 0 8 6 2 366.90 2.04 0 8 10 11 113.67 1.30 0 8 11 12 3.50 1.01 0 9 7 -7 1.90 0.73 0 9 7 2 11.04 0.74 0 9 8 -9 -0.05 0.95 0 9 8 5 36.22 0.88 0 9 9 7 1.40 0.89 0 9 10 9 -1.24 0.87 0 9 12 12 53.80 1.02 0 10 8 -5 59.62 1.20 0 10 8 -4 24.01 1.05 0 10 8 0 16.48 0.93 0 10 8 1 11.80 0.72 0 10 9 -8 0.29 0.89 0 10 9 4 80.48 1.26 0 10 10 7 18.94 0.81 0 10 12 10 15.86 0.83 0 11 10 3 35.26 1.00 0 11 11 6 81.82 1.13 0 11 12 8 25.80 0.88 0 12 11 -2 4.41 0.93 0 12 11 -1 14.72 0.96 0 12 11 0 11.48 0.78 0 12 11 1 4.61 0.78 0 12 12 4 0.04 0.94 0 -11 1 -5 100.62 1.44 0 -11 1 -4 16.00 0.84 0 -11 1 -3 77.67 1.11 0 -11 1 -2 3.06 0.71 0 -11 1 -1 44.11 0.91 0 -11 1 0 0.58 0.69 0 -11 1 1 72.06 1.05 0 -11 2 4 36.11 0.97 0 -10 0 -4 41.63 1.15 0 -10 0 -3 15.78 0.75 0 -10 0 -2 22.42 0.83 0 -10 0 -1 0.63 0.68 0 -10 0 0 5.16 0.89 0 -10 1 -7 0.54 0.75 0 -10 1 4 21.55 1.07 0 -10 2 6 2.52 0.65 0 -10 3 8 6.14 0.95 0 -9 0 -7 62.58 1.22 0 -9 0 -6 145.19 1.38 0 -9 0 2 3.43 0.69 0 -9 1 -9 0.31 0.74 0 -9 1 5 70.43 1.13 0 -9 2 7 53.17 1.02 0 -9 3 9 14.71 0.95 0 -8 -1 -4 210.30 1.76 0 -8 -1 -3 -0.51 0.95 0 -8 -1 -2 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1.13 0 -11 2 6 23.67 0.94 0 -10 0 -9 0.17 0.75 0 -10 2 -3 10.32 0.98 0 -10 2 7 51.90 1.25 0 -9 1 -7 1.26 0.98 0 -9 1 10 3.13 0.69 0 -9 2 -4 0.11 0.92 0 -9 2 8 44.19 1.01 0 -9 3 2 2.32 0.75 0 -8 -2 -13 13.09 1.09 0 -8 0 -10 10.56 0.78 0 -8 1 10 9.56 0.91 0 -8 2 -5 20.01 0.80 0 -8 2 8 1.40 0.68 0 -8 3 0 104.52 1.23 0 -8 3 1 22.17 0.84 0 -8 3 2 21.49 0.82 0 -8 3 3 54.42 0.99 0 -8 3 4 82.34 1.13 0 -7 -2 -13 26.75 1.15 0 -7 0 -10 25.91 0.88 0 -7 1 -8 100.72 1.29 0 -7 2 -5 1.17 0.68 0 -7 2 8 -0.64 0.70 0 -7 3 -1 1.99 0.71 0 -7 3 0 0.67 0.74 0 -7 3 1 48.33 1.19 0 -7 3 2 51.75 1.22 0 -7 3 3 0.95 0.97 0 -7 3 4 37.92 0.94 0 -6 0 -10 1.49 0.73 0 -6 1 -8 0.47 0.73 0 -6 2 -5 97.59 1.25 0 -6 3 0 19.98 0.83 0 -6 3 1 75.15 1.30 0 -6 3 2 1.87 0.99 0 -6 3 3 58.83 1.08 0 -6 3 4 26.24 0.93 0 -5 -5 13 35.52 1.69 0 -5 -3 -14 44.34 1.25 0 -5 2 -5 90.66 1.21 0 -5 2 7 58.96 1.21 0 -5 3 1 158.76 1.51 0 -5 3 2 5.82 0.77 0 -4 -8 12 4.44 0.84 0 -4 -4 12 11.58 1.39 0 -4 0 -9 2.60 0.94 0 -4 1 -7 -0.58 0.71 0 -4 1 8 33.21 1.36 0 -4 2 -4 1.67 0.72 0 -4 2 6 425.48 2.84 0 -3 -8 11 10.77 0.88 0 -3 -4 11 0.84 0.97 0 -3 -3 -13 -0.05 0.89 0 -3 1 -6 15.50 1.05 0 -3 2 -2 1.47 1.07 0 -3 2 4 63.39 1.39 0 -2 -10 9 29.72 0.98 0 -2 -7 10 88.87 1.61 0 -2 -6 10 28.35 0.99 0 -2 -5 10 -0.88 1.02 0 -2 -2 9 59.75 1.97 0 -2 1 5 53.56 1.94 0 -1 -11 7 8.10 0.83 0 -1 -9 8 1.52 0.72 0 -1 -3 8 11.81 1.13 0 -1 1 -1 74.60 1.88 0 -1 1 0 0.92 1.48 0 -1 1 1 1421.69 7.58 0 0 -13 3 0.26 0.80 0 0 -12 4 -1.22 0.79 0 0 -11 5 39.36 0.99 0 0 -9 6 21.45 0.82 0 0 -8 -14 22.53 1.24 0 0 -6 7 659.95 3.29 0 0 -3 6 35.74 1.08 0 0 -1 4 970.35 6.23 0 1 -14 -2 0.99 0.81 0 1 -13 -12 3.56 0.98 0 1 -13 0 2.11 0.76 0 1 -12 -12 11.61 0.84 0 1 -12 1 0.69 0.72 0 1 -11 2 31.78 0.91 0 1 -10 3 0.60 0.66 0 1 -9 -12 61.44 1.21 0 1 -9 4 124.83 1.46 0 1 -8 -12 0.67 0.89 0 1 -8 4 17.61 0.81 0 1 -4 4 66.94 1.38 0 1 -3 -7 63.73 1.78 0 1 -3 3 33.28 1.09 0 2 -12 -6 0.48 0.96 0 2 -12 -5 143.36 1.58 0 2 -11 -8 29.13 1.13 0 2 -11 -7 5.04 0.81 0 2 -11 -6 38.03 0.94 0 2 -11 -5 76.55 1.12 0 2 -11 -4 15.26 0.83 0 2 -11 -3 19.32 0.85 0 2 -11 -2 16.86 1.05 0 2 -10 -9 0.57 0.92 0 2 -10 -8 9.73 0.78 0 2 -10 -2 32.35 0.92 0 2 -10 -1 10.15 0.98 0 2 -9 -9 48.39 1.28 0 2 -9 -8 15.94 0.82 0 2 -9 0 9.39 1.00 0 2 -8 -8 17.46 0.89 0 2 -8 0 5.11 0.69 0 2 -7 -8 48.97 1.28 0 2 -7 1 39.28 1.16 0 2 -6 -7 60.74 1.17 0 2 -6 0 73.50 1.17 0 2 -6 1 0.30 1.07 0 2 -5 -6 2.90 1.00 0 2 -5 0 1757.07 4.65 0 2 -4 -3 -0.57 1.11 0 2 -4 -2 1094.28 4.13 0 -11 1 -5 93.95 1.25 0 -11 1 8 44.61 1.26 0 -11 2 0 3.25 0.74 0 -11 2 1 26.99 0.94 0 -11 2 2 1.07 0.78 0 -11 2 3 79.92 1.19 0 -11 2 4 34.81 0.99 0 -10 -1 12 0.08 1.04 0 -10 0 11 0.28 0.73 0 -10 1 -6 6.99 0.76 0 -10 1 9 23.23 1.05 0 -10 2 -2 13.83 0.85 0 -10 2 -1 4.76 0.96 0 -10 2 5 142.75 1.62 0 -10 2 6 2.65 0.71 0 -9 -1 -11 16.01 0.89 0 -9 0 -9 18.75 0.89 0 -9 0 11 0.32 0.93 0 -9 2 -3 268.10 1.81 0 -9 2 7 52.61 1.11 0 -8 -2 13 6.14 1.07 0 -8 -1 -11 10.00 1.04 0 -8 0 -9 5.66 0.95 0 -8 0 11 172.13 2.10 0 -8 1 -7 157.83 1.50 0 -8 2 -4 18.77 0.83 0 -8 2 7 108.32 1.53 0 -7 -1 12 82.55 1.90 0 -7 0 11 9.63 1.02 0 -7 1 -7 76.55 1.37 0 -7 2 -4 13.90 0.99 0 -7 2 7 31.08 1.23 0 -6 -3 -14 33.56 1.16 0 -6 1 -7 63.12 1.31 0 -6 1 9 18.33 1.14 0 -6 2 -4 36.67 1.16 0 -6 2 7 11.64 0.97 0 -5 -6 -17 -0.00 0.94 0 -5 -5 -16 1.66 0.96 0 -5 -4 -15 23.15 1.11 0 -5 -1 -11 -0.13 0.88 0 -5 0 -9 7.29 1.06 0 -5 0 10 116.32 2.27 0 -5 1 -7 8.85 0.78 0 -5 2 -4 158.05 1.53 0 -4 -2 -12 132.65 1.86 0 -4 2 -3 93.57 1.43 0 -4 2 5 23.21 1.23 0 -3 -9 11 1.30 0.81 0 -3 -5 -15 37.14 1.72 0 -3 -4 -14 6.54 0.96 0 -3 -1 -10 540.50 3.45 0 -3 2 -1 1228.53 4.38 0 -3 2 3 51.44 1.48 0 -2 -9 10 23.15 1.22 0 -2 -8 10 10.22 0.87 0 -2 -4 10 31.58 1.31 0 -2 -3 -12 5.06 1.20 0 -2 -1 -9 868.74 4.81 0 -2 1 -4 100.17 1.77 0 -1 -10 8 36.15 1.01 0 -1 -9 -16 80.62 1.91 0 -1 -7 9 10.36 1.05 0 -1 -6 9 78.73 1.48 0 -1 -5 9 7.30 0.98 0 0 -12 -15 48.47 1.22 0 0 -12 5 9.83 1.07 0 0 -11 -15 119.14 1.65 0 0 -10 -15 25.59 1.11 0 0 -10 6 0.00 0.75 0 0 -8 7 -0.28 0.73 0 0 -7 7 57.44 1.11 0 0 -5 7 966.24 3.82 0 0 -4 7 262.23 2.30 0 1 -13 1 54.16 1.06 0 1 -12 -13 12.09 1.09 0 1 -12 2 8.56 0.81 0 1 -11 -13 -0.60 1.01 0 1 -11 3 2.14 0.76 0 1 -10 -13 10.05 1.06 0 1 -10 4 82.83 1.36 0 1 -8 5 240.09 1.94 0 1 -7 5 486.45 2.44 0 1 -6 -11 2.35 0.82 0 1 -6 5 175.86 1.67 0 1 -5 -10 398.31 3.46 0 1 -5 5 9.23 1.07 0 1 -2 2 58.90 1.48 0 2 -13 -7 68.22 1.34 0 2 -13 -6 6.35 1.08 0 2 -13 -5 1.08 1.08 0 2 -12 -9 35.98 1.14 0 2 -12 -8 6.66 0.75 0 2 -12 -7 24.12 0.88 0 2 -12 -4 3.00 0.77 0 2 -12 -3 98.46 1.21 0 2 -12 -2 6.36 1.07 0 2 -11 -9 24.53 0.87 0 2 -11 -1 0.96 0.67 0 2 -10 -10 17.21 1.06 0 2 -10 0 0.41 0.69 0 2 -9 1 11.81 0.80 0 2 -8 -9 484.10 2.67 0 2 -8 1 36.32 0.98 0 2 -7 2 136.87 1.58 0 2 -6 -8 27.86 1.18 0 2 -6 2 29.19 1.15 0 2 -5 1 491.81 2.53 0 2 -4 -4 -0.22 0.81 0 2 -4 -1 12.71 0.93 0 2 -4 0 1744.89 4.98 0 -12 1 -1 -1.69 0.98 0 -12 1 5 5.07 1.09 0 -12 1 6 4.99 0.80 0 -11 0 10 2.95 0.79 0 -11 1 -4 14.69 0.83 0 -11 1 -3 75.17 1.33 0 -11 1 7 -0.35 0.99 0 -10 0 -8 1.78 0.78 0 -10 1 -5 12.94 0.82 0 -10 1 8 -0.10 0.99 0 -10 2 0 45.38 0.95 0 -10 2 1 -0.32 0.73 0 -10 2 2 74.44 1.28 0 -10 2 3 11.46 0.77 0 -10 2 4 33.79 0.96 0 -9 -2 -12 1.68 1.06 0 -9 -2 13 9.01 1.08 0 -9 -1 12 81.37 1.62 0 -9 0 -8 42.08 1.18 0 -9 1 -6 52.07 1.01 0 -9 1 9 26.37 0.92 0 -9 2 -2 1.97 0.74 0 -9 2 -1 0.07 0.94 0 -9 2 5 37.31 1.14 0 -9 2 6 157.57 1.54 0 -8 -1 12 1.86 1.02 0 -8 1 9 20.48 1.07 0 -8 2 -3 3.94 0.73 0 -8 2 -2 23.26 1.06 0 -8 2 6 46.24 1.24 0 -7 -4 -15 39.87 1.32 0 -7 -1 -11 -0.47 0.66 0 -7 0 -9 24.60 0.85 0 -7 1 9 31.72 1.18 0 -7 2 -3 1.96 0.95 0 -6 -4 -15 0.06 0.95 0 -6 -1 -11 4.16 0.70 0 -6 0 -9 88.79 1.26 0 -6 2 -3 49.31 1.20 0 -6 2 6 254.56 2.13 0 -5 -1 11 0.00 1.15 0 -5 2 -3 169.82 1.54 0 -5 2 6 36.27 1.02 0 -4 1 -6 0.00 0.70 0 -4 2 -2 1057.48 3.76 0 -3 1 -5 284.73 2.33 0 -3 2 0 0.52 0.87 0 -3 2 1 396.39 2.63 0 -3 2 2 280.54 2.31 0 -1 -9 9 21.08 1.03 0 -1 -8 9 28.95 0.95 0 -1 -7 -15 33.51 1.89 0 -1 -4 9 24.65 1.14 0 0 -11 6 5.43 0.80 0 0 -10 7 40.05 1.13 0 0 -9 7 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177.38 1.49 0 -9 1 8 33.60 1.22 0 -9 2 0 -0.83 0.68 0 -9 2 1 11.78 0.80 0 -9 2 2 0.90 0.66 0 -9 2 3 5.56 0.73 0 -9 2 4 57.31 1.02 0 -8 -2 -12 1.38 0.73 0 -8 -1 -10 0.46 0.93 0 -8 0 -8 0.29 0.87 0 -8 2 -1 1.27 0.71 0 -8 2 5 116.64 1.32 0 -7 -2 -12 4.89 0.96 0 -7 1 -6 194.83 1.58 0 -7 2 -2 62.34 1.02 0 -7 2 5 52.42 1.26 0 -7 2 6 15.82 0.84 0 -6 -5 -16 1.44 0.95 0 -6 -2 -12 41.43 1.21 0 -6 1 -6 173.04 1.52 0 -6 2 -2 1.08 0.95 0 -6 2 5 15.52 1.09 0 -5 -4 13 3.10 1.58 0 -5 1 -6 19.46 0.87 0 -5 1 8 586.58 3.64 0 -5 2 -2 9.26 0.75 0 -5 2 5 752.02 3.32 0 -4 -3 -13 12.00 0.97 0 -4 0 -8 183.00 1.90 0 -4 0 9 20.68 1.48 0 -4 2 -1 2.42 0.77 0 -4 2 3 -0.86 1.06 0 -4 2 4 1.95 0.79 0 -3 -7 12 106.54 1.78 0 -3 -3 11 -0.07 0.96 0 -3 1 6 93.72 1.96 0 -2 -7 11 278.30 2.52 0 -2 -4 -13 177.30 3.34 0 -2 -3 10 -0.04 0.97 0 -2 1 -3 259.08 2.54 0 -1 -10 9 1.12 1.08 0 0 -11 7 2.73 0.97 0 0 -9 -15 13.24 1.09 0 0 -8 8 93.55 1.53 0 0 -7 8 1.89 0.74 0 0 -6 -13 178.04 2.86 0 0 -6 8 22.29 0.91 0 0 -5 8 71.51 1.47 0 0 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1.02 0 -5 5 13 30.63 0.93 0 -4 -11 -8 6.16 0.78 0 -4 -4 -4 5357.05 9.27 0 -4 -3 -3 44.88 1.57 0 -4 -2 -2 1500.63 6.78 0 -4 5 11 30.54 0.91 0 -3 -12 -8 187.41 1.69 0 -3 -11 -8 199.32 1.56 0 -3 2 3 50.23 1.73 0 -3 4 7 71.72 1.44 0 -3 5 10 34.27 0.95 0 -3 6 15 65.86 1.30 0 -3 6 16 7.69 0.78 0 -3 6 17 19.27 0.91 0 -2 -15 -8 -1.20 0.81 0 -2 -14 -8 22.04 1.00 0 -2 -13 -8 16.98 0.88 0 -2 -12 -8 43.71 0.99 0 -2 -9 -7 60.04 1.25 0 -2 6 13 52.82 1.19 0 -2 6 14 59.54 1.05 0 -2 6 15 4.52 0.78 0 -1 -7 -6 105.43 1.30 0 -1 -4 -4 12.87 1.36 0 -1 5 9 66.83 1.13 0 -1 6 13 5.19 0.75 0 -1 6 14 48.62 0.97 0 0 -14 -7 9.30 0.80 0 0 -13 -7 99.20 1.46 0 0 -12 -7 -0.58 0.95 0 0 -11 -7 3.80 0.77 0 0 -8 -6 309.64 2.15 0 0 -3 -3 27.46 1.52 0 0 5 9 189.27 1.63 0 0 6 13 183.62 1.47 0 0 6 14 12.70 0.76 0 1 -9 -6 547.32 2.61 0 1 2 3 602.84 3.98 0 1 5 9 4.84 1.11 0 1 6 13 13.72 1.05 0 1 6 14 168.49 1.44 0 1 6 15 12.39 0.77 0 1 6 16 53.98 1.03 0 1 6 17 26.77 0.88 0 1 6 18 7.97 0.79 0 2 -8 -5 7.79 1.09 0 2 -4 -3 0.38 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14.19 1.10 0 -9 -5 2 51.69 1.21 0 -9 3 6 113.74 3.33 0 -9 5 8 1.51 1.05 0 -8 -13 4 13.92 0.86 0 -8 -12 3 6.70 0.81 0 -8 -10 2 82.29 1.13 0 -8 7 9 12.56 1.08 0 -7 -13 4 22.45 1.13 0 -7 -12 3 6.50 1.07 0 -7 -11 2 11.38 0.78 0 -7 -9 1 291.92 1.93 0 -7 -8 1 125.08 1.56 0 -7 7 8 10.44 0.88 0 -6 -10 1 122.75 1.34 0 -6 4 4 34.90 1.53 0 -6 8 8 1.01 0.91 0 -5 -10 1 107.96 1.26 0 -5 -7 0 0.27 0.95 0 -5 -4 0 0.79 1.18 0 -5 6 5 13.17 1.12 0 -5 7 6 1.07 0.91 0 -4 -10 1 387.00 2.29 0 -4 -8 0 1861.27 4.62 0 -4 -2 0 916.57 5.50 0 -4 10 9 8.33 0.78 0 -3 -13 4 28.04 0.91 0 -3 -10 1 9.44 0.84 0 -3 -8 0 1.19 0.75 0 -3 -1 0 1.11 1.51 0 -3 9 7 82.15 1.24 0 -3 10 8 7.80 0.95 0 -3 12 11 -0.94 1.07 0 -2 -12 3 8.92 0.74 0 -2 -11 2 286.51 1.84 0 -2 -10 1 58.48 1.05 0 -2 -8 0 144.15 1.45 0 -2 4 2 1106.01 5.14 0 -2 11 9 24.52 0.87 0 -1 -12 4 3.68 0.98 0 -1 -7 0 -1.03 0.94 0 -1 7 4 105.89 1.38 0 -1 8 5 43.04 1.09 0 -1 9 6 553.55 2.63 0 -1 10 7 111.75 1.51 0 0 -11 3 10.83 0.77 0 0 -10 2 58.09 1.08 0 0 6 3 169.60 1.73 0 0 11 8 16.51 0.83 0 0 13 11 26.50 0.91 0 1 -11 4 6.04 0.71 0 1 -10 3 0.10 0.93 0 1 -9 2 0.36 0.95 0 1 -5 0 0.16 1.15 0 1 6 3 1183.19 4.10 0 1 12 9 5.06 0.71 0 1 14 12 -1.15 1.06 0 2 -10 4 2.33 0.96 0 2 -8 2 123.66 1.64 0 2 6 3 79.32 1.28 0 2 12 9 124.61 1.30 0 2 13 10 4.30 0.97 0 2 14 12 64.10 1.11 0 3 -10 5 30.09 0.95 0 3 -9 4 54.11 1.24 0 3 -7 2 -0.26 0.76 0 3 4 2 0.92 0.96 0 3 6 3 1.69 1.11 0 3 13 10 390.59 2.27 0 3 14 12 14.83 0.87 0 4 7 4 297.77 2.00 0 4 12 9 262.64 1.74 0 4 13 10 59.81 1.34 0 4 14 12 4.49 0.80 0 5 2 2 2.25 1.12 0 5 8 5 78.96 1.33 0 5 9 6 8.24 0.77 0 5 10 7 196.07 1.57 0 5 11 8 209.88 1.61 0 5 12 9 11.64 1.04 0 5 14 12 50.34 1.05 0 6 -6 5 -0.09 0.77 0 6 3 3 20.55 0.97 0 6 13 11 39.80 0.97 0 7 -6 7 4.23 1.00 0 7 -5 6 3.71 1.06 0 7 -4 5 46.40 1.54 0 7 4 4 27.37 1.23 0 7 6 5 127.60 1.53 0 7 9 7 4.98 0.70 0 7 10 8 17.97 0.80 0 7 11 9 8.91 0.77 0 7 12 10 4.03 1.00 0 8 -4 7 -0.06 0.95 0 8 4 5 352.29 2.91 0 8 8 7 41.34 0.96 0 8 12 11 22.19 0.87 0 8 13 12 46.72 1.17 0 9 1 6 156.17 3.38 0 9 2 6 19.85 1.22 0 9 3 6 21.00 1.21 0 9 6 7 17.49 0.89 0 9 8 8 8.80 1.01 0 9 9 9 63.97 1.13 0 9 11 11 3.95 0.83 0 9 12 12 55.88 1.10 0 10 1 8 1.54 1.16 0 10 5 8 -0.13 0.89 0 10 7 9 162.35 1.77 0 10 9 10 33.80 1.16 0 10 10 11 1.30 1.07 0 11 5 10 1.55 1.07 0 -11 -10 5 26.98 1.11 0 -11 -7 4 -0.58 0.77 0 -10 -10 4 40.55 1.17 0 -10 -7 3 8.63 0.82 0 -10 -6 3 5.11 0.83 0 -10 -2 4 1.37 0.93 0 -9 -10 3 73.88 1.17 0 -9 -2 3 27.40 1.34 0 -9 0 4 0.59 1.25 0 -9 6 9 -1.68 1.14 0 -8 -12 4 59.99 1.32 0 -8 -11 3 65.29 1.11 0 -8 -9 2 29.62 0.91 0 -7 -10 2 13.98 1.00 0 -7 -7 1 10.79 0.99 0 -7 -4 1 357.17 2.81 0 -7 3 4 34.38 1.80 0 -7 8 9 21.40 0.99 0 -6 -13 4 28.44 0.90 0 -6 -12 3 10.27 0.76 0 -6 -11 2 5.24 0.67 0 -6 -9 1 154.78 1.49 0 -6 9 9 16.43 1.04 0 -5 -13 4 2.39 0.78 0 -5 -12 3 51.14 1.01 0 -5 -11 2 44.84 0.94 0 -5 -9 1 674.36 2.82 0 -5 -6 0 0.31 0.68 0 -5 -5 0 1.00 0.78 0 -5 2 2 2.98 1.24 0 -5 5 4 122.55 1.96 0 -5 8 7 55.40 1.18 0 -5 9 8 88.16 1.51 0 -4 -13 4 70.53 1.11 0 -4 -12 3 5.25 0.73 0 -4 -11 2 128.49 1.34 0 -4 -7 0 484.00 2.49 0 -4 11 10 2.25 0.73 0 -3 -13 5 1.91 1.02 0 -3 -12 3 115.92 1.30 0 -3 -11 2 45.84 0.95 0 -3 -7 0 0.50 0.96 0 -3 5 3 19.32 0.91 0 -3 11 9 -1.16 0.89 0 -2 -12 4 7.60 1.00 0 -2 -9 1 61.72 1.28 0 -2 -7 0 0.37 0.66 0 -2 8 5 7.05 1.04 0 -2 9 6 3.55 1.01 0 -2 12 10 0.11 0.75 0 -1 -11 3 7.78 0.74 0 -1 -10 2 41.31 1.10 0 -1 -9 1 26.60 0.85 0 -1 6 3 1.90 1.10 0 -1 11 8 4.53 0.76 0 -1 13 11 4.35 0.83 0 0 -12 5 6.31 0.78 0 0 -8 1 0.63 0.97 0 0 -6 0 2160.05 5.61 0 0 12 9 3.06 0.74 0 1 -11 5 8.57 1.01 0 1 -7 1 3.08 1.06 0 1 -4 0 0.22 1.11 0 1 13 10 36.00 1.00 0 2 -9 3 45.85 1.02 0 2 -6 1 1.91 0.98 0 2 9 5 493.42 2.54 0 2 10 6 70.48 1.31 0 2 11 7 10.61 1.02 0 2 14 11 23.70 1.06 0 3 -10 6 0.19 1.02 0 3 -8 3 167.60 1.69 0 3 9 5 112.84 1.50 0 3 10 6 12.32 1.05 0 3 11 7 1.02 0.97 0 3 14 11 1.22 1.13 0 4 -9 6 16.26 1.12 0 4 -5 2 511.76 3.45 0 4 14 11 91.13 1.45 0 5 -8 6 63.16 1.29 0 5 -5 3 4.16 0.88 0 5 5 3 280.71 2.20 0 5 7 4 105.63 1.49 0 5 13 10 255.83 1.76 0 6 6 4 -0.77 1.04 0 6 9 6 2.91 0.70 0 6 10 7 39.52 0.95 0 6 11 8 80.12 1.16 0 6 12 9 10.72 0.80 0 6 13 10 -0.68 0.95 0 6 14 12 69.63 1.15 0 7 -2 4 11.53 1.37 0 7 8 6 24.83 0.89 0 7 13 11 9.35 0.78 0 8 7 6 1.40 0.97 0 8 11 9 162.04 1.71 0 9 4 6 60.31 1.48 0 9 7 7 1.50 0.97 0 9 10 9 2.55 0.89 0 9 11 10 41.80 1.21 0 10 6 8 2.44 1.00 0 10 8 9 111.42 1.66 0 11 6 10 0.98 0.81 0 -12 -8 6 68.02 1.36 0 -12 -7 6 77.97 1.60 0 -12 -5 6 5.33 1.17 0 -12 -4 6 0.05 0.94 0 -11 -9 5 -0.81 0.80 0 -11 -3 5 8.57 1.08 0 -10 -11 5 30.65 1.01 0 -10 -9 4 27.65 1.06 0 -9 -12 5 28.06 0.95 0 -9 -11 4 47.95 1.04 0 -9 -9 3 38.21 0.98 0 -8 -10 3 16.87 1.05 0 -8 -8 2 3.28 0.72 0 -8 -3 2 4.25 1.03 0 -7 -13 5 87.30 1.20 0 -7 -12 4 101.50 1.26 0 -7 -11 3 65.76 1.08 0 -7 -9 2 10.44 1.04 0 -7 -6 1 280.68 2.06 0 -7 -5 1 660.72 3.28 0 -6 -13 5 11.64 0.81 0 -6 -12 4 20.50 1.16 0 -6 -10 2 51.43 1.01 0 -6 -8 1 342.98 2.08 0 -6 -2 1 40.84 1.52 0 -5 -13 5 61.15 1.12 0 -5 10 9 3.04 0.95 0 -4 -13 5 0.86 0.74 0 -4 -9 1 154.87 1.44 0 -4 -6 0 10.99 0.82 0 -4 -5 0 143.62 1.83 0 -4 -3 0 735.69 4.30 0 -4 3 2 1119.69 6.62 0 -4 7 5 143.61 1.67 0 -4 8 6 0.21 0.67 0 -4 9 7 5.69 1.01 0 -3 -12 4 9.98 0.94 0 -3 -9 1 145.60 1.39 0 -3 -6 0 0.09 1.03 0 -2 -11 3 -0.58 0.70 0 -2 -10 2 113.72 1.27 0 -2 -6 0 116.71 1.62 0 -2 7 4 3.63 0.77 0 -2 10 7 91.70 1.26 0 -2 11 8 29.49 1.15 0 -2 13 11 0.52 0.83 0 -1 -12 5 -0.40 0.73 0 -1 -8 1 8.41 1.00 0 -1 -6 0 9.84 0.83 0 -1 12 9 17.88 0.87 0 0 -11 4 8.38 0.78 0 0 -10 3 25.82 1.03 0 0 -9 2 144.41 1.44 0 0 -5 0 265.43 2.37 0 0 3 1 28.38 1.38 0 0 5 2 47.45 1.48 0 0 9 5 350.18 2.27 0 0 10 6 470.73 2.55 0 0 13 10 22.20 0.88 0 1 -10 4 82.70 1.35 0 1 3 1 1272.88 5.74 0 1 5 2 74.24 1.41 0 1 8 4 67.33 1.36 0 1 9 5 -0.02 0.79 0 1 10 6 376.76 2.12 0 1 11 7 249.90 1.78 0 1 12 8 6.79 0.97 0 1 14 11 3.83 0.82 0 2 -10 5 17.04 0.98 0 2 5 2 125.60 1.64 0 2 8 4 845.73 3.20 0 2 12 8 46.95 1.01 0 2 13 9 130.76 1.47 0 3 -9 5 0.90 0.94 0 3 2 1 1982.02 8.22 0 3 8 4 54.05 1.29 0 3 12 8 182.18 1.51 0 3 13 9 25.17 1.11 0 4 -8 5 66.82 1.35 0 4 4 2 33.52 1.20 0 4 6 3 96.82 1.36 0 4 9 5 94.34 1.25 0 4 10 6 101.76 1.22 0 4 11 7 103.03 1.23 0 4 12 8 8.13 0.76 0 4 13 9 183.86 1.72 0 5 -7 5 52.02 1.14 0 5 -6 4 0.83 0.79 0 5 10 6 159.79 1.68 0 5 11 7 92.28 1.32 0 5 12 8 14.48 1.02 0 5 14 11 32.06 0.98 0 6 -7 7 62.12 1.32 0 6 4 3 87.48 1.63 0 6 8 5 7.90 0.77 0 6 14 11 0.74 1.09 0 7 5 4 10.88 1.08 0 7 7 5 13.90 0.81 0 7 10 7 0.14 0.96 0 7 11 8 158.23 1.46 0 7 12 9 27.77 0.91 0 7 13 10 -0.91 0.94 0 8 5 5 159.27 1.82 0 8 9 7 19.24 0.86 0 8 10 8 5.27 0.76 0 8 12 10 1.72 0.76 0 8 13 11 2.14 0.80 0 9 5 6 0.23 0.92 0 9 9 8 4.50 0.77 0 9 12 11 14.74 0.87 0 10 7 8 5.73 1.05 0 10 9 9 4.06 1.01 0 10 10 10 0.72 0.78 0 10 11 11 50.57 1.10 0 11 7 10 69.26 1.34 0 -12 -6 6 1.23 0.83 0 -12 -2 7 17.74 1.28 0 -11 -10 6 31.27 1.03 0 -11 -8 5 57.70 1.18 0 -11 -7 5 166.13 1.90 0 -11 -4 5 0.75 1.00 0 -11 -1 6 14.18 1.35 0 -10 -11 6 5.55 1.13 0 -10 -10 5 103.46 1.34 0 -10 -8 4 26.39 0.95 0 -10 -3 4 19.56 1.18 0 -10 4 8 5.46 1.52 0 -9 -11 5 51.84 1.33 0 -9 -10 4 6.98 0.78 0 -9 -8 3 -0.28 0.75 0 -9 -7 3 85.34 1.47 0 -9 -3 3 11.29 1.13 0 -8 -12 5 222.36 1.73 0 -8 -11 4 134.06 1.39 0 -8 -7 2 0.85 0.80 0 -8 -6 2 237.69 2.10 0 -8 -5 2 367.06 2.65 0 -8 -4 2 41.26 1.34 0 -7 -12 5 70.77 1.37 0 -7 -10 3 168.10 1.66 0 -6 -11 3 0.90 0.70 0 -6 -9 2 29.76 1.21 0 -6 -7 1 10.92 0.84 0 -6 10 10 9.29 0.89 0 -5 -12 4 0.24 0.73 0 -5 -11 3 60.17 1.05 0 -5 -10 2 156.51 1.41 0 -5 -8 1 1157.54 3.63 0 -4 -12 4 71.20 1.14 0 -4 -11 3 12.59 0.81 0 -4 -10 2 205.51 1.62 0 -4 -8 1 30.55 1.22 0 -4 -4 0 237.33 2.24 0 -4 6 4 21.07 0.97 0 -4 10 8 11.45 0.78 0 -3 -11 3 153.90 1.43 0 -3 -10 2 71.39 1.10 0 -3 -8 1 402.51 2.36 0 -3 -5 0 0.55 1.14 0 -3 8 5 40.00 1.27 0 -3 9 6 12.67 1.05 0 -3 12 10 18.77 0.90 0 -2 -12 5 12.14 0.83 0 -2 -8 1 122.84 1.54 0 -2 6 3 122.17 1.70 0 -2 12 9 30.90 1.18 0 -1 -12 6 1.76 0.95 0 -1 -11 4 8.63 0.73 0 -1 -10 3 12.39 1.04 0 -1 -9 2 -0.26 0.92 0 -1 -5 0 3.09 1.19 0 -1 3 1 388.86 3.57 0 -1 5 2 33.55 1.38 0 -1 9 5 332.35 2.27 0 -1 10 6 179.14 1.76 0 -1 13 10 11.72 0.84 0 0 -11 5 42.53 1.10 0 0 -7 1 16.37 1.08 0 0 8 4 285.17 2.01 0 0 11 7 2.27 0.80 0 0 12 8 82.76 1.15 0 0 14 11 66.23 1.15 0 1 -11 6 23.11 0.94 0 1 -9 3 29.46 0.90 0 1 -8 2 7.50 0.79 0 1 -3 0 -0.08 0.85 0 1 7 3 503.08 2.72 0 1 13 9 34.01 0.94 0 2 -9 4 9.84 0.79 0 2 -8 3 4.44 1.00 0 2 -7 2 135.50 1.57 0 2 -5 1 507.66 3.18 0 2 3 1 1.91 1.11 0 2 7 3 19.72 1.11 0 2 14 10 33.47 1.15 0 3 -8 4 63.23 1.36 0 3 -7 3 328.18 2.46 0 3 5 2 2.07 0.89 0 3 14 10 91.95 1.16 0 4 8 4 302.60 1.99 0 4 14 10 5.20 0.77 0 5 -2 2 7.66 1.23 0 5 3 2 1.06 1.13 0 5 9 5 15.02 0.79 0 5 13 9 -0.61 0.70 0 5 14 10 33.47 1.15 0 6 -6 6 48.71 1.34 0 6 -4 4 3.74 0.87 0 6 7 4 17.87 1.06 0 6 10 6 57.48 1.22 0 6 11 7 3.83 1.03 0 6 12 8 146.84 1.38 0 6 13 9 59.58 1.28 0 7 9 6 52.73 1.03 0 7 14 11 8.25 0.83 0 8 6 5 26.31 1.13 0 8 8 6 0.56 0.93 0 8 12 9 21.68 1.06 0 9 6 6 41.42 1.25 0 9 8 7 2.58 0.69 0 9 11 9 15.49 1.05 0 9 12 10 27.44 1.21 0 9 13 11 -0.75 1.04 0 10 3 7 24.85 1.38 0 10 4 7 14.78 1.12 0 10 8 8 14.73 1.00 0 11 4 9 17.42 1.21 0 11 5 9 1.59 1.04 0 11 6 9 5.06 0.97 0 11 8 10 78.04 1.38 0 -11 -9 6 152.63 1.61 0 -11 -6 5 16.81 0.88 0 -11 -5 5 1.69 0.76 0 -10 -9 5 66.25 1.36 0 -10 -7 4 100.62 1.35 0 -10 -6 4 101.46 1.62 0 -10 -5 4 3.58 1.05 0 -10 -4 4 13.82 1.08 0 -9 -9 4 0.81 0.97 0 -9 -6 3 146.99 1.73 0 -9 -5 3 231.64 2.25 0 -9 -4 3 64.36 1.49 0 -8 -12 6 25.28 0.95 0 -8 -11 5 73.51 1.38 0 -8 -10 4 203.83 1.79 0 -8 -9 3 53.58 1.04 0 -7 -11 4 47.95 1.00 0 -7 -8 2 10.10 0.77 0 -7 -1 2 7.26 1.14 0 -6 -12 5 88.07 1.17 0 -6 -11 4 6.05 1.00 0 -6 -10 3 0.56 0.97 0 -6 -6 1 37.65 1.02 0 -6 -5 1 38.49 1.27 0 -6 -4 1 4.42 1.09 0 -6 -3 1 13.40 1.18 0 -5 -12 5 28.99 0.90 0 -5 -9 2 176.50 1.65 0 -5 -7 1 285.17 1.97 0 -5 4 3 111.81 2.12 0 -5 11 10 13.49 0.91 0 -4 -12 5 0.91 0.74 0 -4 11 9 25.28 0.94 0 -3 -12 5 32.52 0.92 0 -3 -11 4 -1.49 0.94 0 -3 -4 0 1.71 1.24 0 -3 -2 0 0.39 1.03 0 -3 2 1 397.95 4.83 0 -3 4 2 41.12 1.47 0 -3 7 4 13.56 1.06 0 -3 10 7 34.18 0.96 0 -3 11 8 63.55 1.33 0 -2 -12 6 0.74 0.94 0 -2 -11 4 20.27 0.82 0 -2 -10 3 9.12 0.98 0 -2 -9 2 56.62 1.04 0 -2 -5 0 253.89 2.13 0 -2 13 10 -0.25 1.09 0 -1 -11 5 3.60 0.97 0 -1 -7 1 2.34 0.95 0 -1 8 4 124.57 1.43 0 -1 11 7 146.26 1.48 0 -1 12 8 25.73 1.11 0 0 -11 6 6.63 1.02 0 0 -10 4 4.18 0.66 0 0 -8 2 35.34 1.14 0 0 -4 0 426.73 3.02 0 0 7 3 280.58 2.05 0 0 13 9 1.08 0.71 0 1 -10 5 14.25 0.98 0 1 -6 1 2.63 0.71 0 1 14 10 5.40 0.81 0 2 -10 6 2.56 0.76 0 2 10 5 491.37 2.48 0 2 11 6 2.58 1.01 0 2 12 7 7.73 1.02 0 3 -9 6 91.64 1.54 0 3 7 3 214.48 1.74 0 3 10 5 47.50 1.14 0 3 11 6 159.39 1.40 0 3 12 7 9.87 1.02 0 4 -8 6 -0.09 0.97 0 4 -4 2 0.03 0.91 0 4 7 3 74.37 1.36 0 4 11 6 42.65 1.13 0 4 12 7 7.05 1.03 0 4 15 11 0.75 0.83 0 5 -4 3 114.48 1.93 0 5 6 3 31.82 0.97 0 5 8 4 34.18 0.97 0 5 15 11 -1.27 0.83 0 6 -5 5 2.69 0.81 0 6 -2 3 49.69 2.02 0 6 5 3 112.36 1.50 0 6 9 5 78.70 1.30 0 6 14 10 0.64 0.78 0 7 -5 7 11.33 1.10 0 7 6 4 30.14 1.21 0 7 8 5 14.73 0.82 0 7 11 7 12.29 1.01 0 7 12 8 10.02 1.00 0 7 13 9 36.12 1.22 0 8 -4 8 0.20 1.06 0 8 10 7 13.79 0.77 0 8 11 8 3.79 0.74 0 8 13 10 1.00 0.75 0 9 10 8 110.48 1.36 0 10 5 7 1.24 0.67 0 10 6 7 12.21 1.08 0 10 10 9 29.20 1.13 0 10 11 10 0.41 0.77 0 11 3 9 3.36 1.25 0 11 7 9 0.98 1.01 0 11 9 10 12.94 0.91 0 -12 -7 7 0.20 0.81 0 -12 -6 7 41.06 1.39 0 -12 -5 7 86.83 1.69 0 -12 -4 7 56.09 1.52 0 -12 -3 7 51.89 1.46 0 -11 -8 6 90.93 1.30 0 -10 -10 6 50.41 1.06 0 -10 -8 5 57.93 1.34 0 -9 -11 6 25.30 0.97 0 -9 -10 5 67.85 1.14 0 -9 -8 4 26.55 1.14 0 -8 -8 3 288.79 1.94 0 -7 -12 6 37.26 1.01 0 -7 -11 5 2.12 1.03 0 -7 -10 4 14.48 1.05 0 -7 -9 3 84.54 1.12 0 -7 -7 2 103.56 1.37 0 -7 6 6 0.75 0.98 0 -7 7 7 32.66 1.30 0 -7 8 8 4.27 1.08 0 -6 -12 6 63.38 1.29 0 -6 -8 2 728.87 2.93 0 -6 6 5 0.23 0.90 0 -6 7 6 33.51 1.31 0 -6 8 7 12.07 0.85 0 -6 9 8 6.32 1.04 0 -5 -12 6 4.99 1.05 0 -5 -11 4 0.89 0.70 0 -5 -10 3 81.55 1.14 0 -5 -6 1 140.50 1.67 0 -5 8 6 5.44 1.01 0 -5 9 7 89.66 1.63 0 -4 -12 6 15.20 1.00 0 -4 -11 4 26.78 0.84 0 -4 -10 3 2.52 0.72 0 -4 -9 2 70.96 1.11 0 -4 -7 1 92.40 1.26 0 -4 5 3 175.20 2.11 0 -3 -12 6 2.02 0.73 0 -3 -10 3 70.78 1.09 0 -3 -9 2 52.40 0.99 0 -3 -7 1 228.33 1.91 0 -3 -3 0 1.30 1.12 0 -3 12 9 1.24 1.06 0 -2 -11 5 2.40 0.91 0 -2 -7 1 15.89 0.81 0 -2 -4 0 274.43 2.45 0 -2 -1 0 82.37 2.80 0 -2 9 5 36.36 1.23 0 -2 10 6 120.84 1.64 0 -2 11 7 9.46 1.05 0 -1 -10 4 14.23 0.97 0 -1 -4 0 1.21 1.00 0 -1 7 3 143.72 1.76 0 -1 13 9 12.77 0.86 0 0 -9 3 12.27 0.76 0 0 -6 1 629.92 3.14 0 0 -3 0 961.96 5.03 0 0 14 10 6.13 0.81 0 1 -9 4 115.32 1.49 0 1 -8 3 117.17 1.57 0 1 -7 2 18.73 1.13 0 1 6 2 147.89 1.87 0 1 9 4 181.51 1.76 0 1 10 5 12.09 0.78 0 1 11 6 22.68 0.88 0 1 12 7 133.78 1.43 0 1 13 8 1.35 0.99 0 2 -10 7 78.82 1.26 0 2 -9 5 133.53 1.51 0 2 6 2 1365.58 4.51 0 2 9 4 278.07 1.90 0 2 13 8 20.75 0.84 0 2 14 9 6.17 1.03 0 3 -3 1 2020.27 7.80 0 3 3 1 1698.81 6.54 0 3 9 4 97.39 1.25 0 3 14 9 10.40 0.84 0 4 5 2 1473.76 4.88 0 4 10 5 136.60 1.37 0 4 13 8 8.34 0.76 0 4 14 9 68.21 1.12 0 5 -6 5 5.42 0.90 0 5 4 2 4.58 1.17 0 5 10 5 73.38 1.29 0 5 11 6 1.89 0.71 0 5 12 7 9.21 0.79 0 5 13 8 119.10 1.35 0 5 14 9 -1.86 1.04 0 6 12 7 34.66 1.13 0 6 13 8 24.24 1.06 0 7 -4 6 0.30 0.86 0 7 10 6 -0.57 0.72 0 7 14 10 0.18 0.78 0 8 3 4 351.02 3.28 0 8 7 5 -1.13 0.75 0 8 9 6 11.94 0.75 0 8 13 9 1.61 0.94 0 9 7 6 9.25 0.78 0 9 9 7 0.44 0.70 0 9 11 8 168.28 1.66 0 9 12 9 -0.05 1.04 0 9 13 10 2.46 1.12 0 10 7 7 36.08 1.26 0 10 9 8 27.32 0.91 0 10 12 10 15.68 1.15 0 11 8 9 4.64 0.86 0 11 10 10 8.09 1.11 0 -11 -9 7 15.34 0.91 0 -11 -7 6 7.87 0.81 0 -10 -9 6 21.24 0.94 0 -9 -11 7 1.06 0.83 0 -8 -11 6 5.09 0.86 0 -8 -10 5 29.81 0.93 0 -8 -9 4 17.94 0.83 0 -8 -7 3 9.44 0.82 0 -7 -6 2 78.25 1.22 0 -6 -11 5 40.69 0.97 0 -6 -9 3 213.69 1.62 0 -5 -8 2 14.42 0.82 0 -5 7 5 3.17 0.74 0 -5 10 8 39.26 1.11 0 -3 -12 7 8.57 0.82 0 -3 -11 5 2.74 0.73 0 -3 6 3 393.89 2.76 0 -2 -3 0 53.74 1.54 0 -2 5 2 321.43 2.62 0 -2 8 4 1089.61 3.96 0 -2 12 8 6.17 0.83 0 -1 -11 6 3.61 0.77 0 -1 -9 3 9.22 0.76 0 -1 -8 2 2.69 0.73 0 -1 -3 0 0.73 1.08 0 0 -11 7 0.61 0.78 0 0 -10 5 2.02 0.70 0 0 6 2 620.11 3.11 0 0 10 5 250.24 1.85 0 0 11 6 344.50 2.09 0 0 12 7 0.12 0.74 0 1 -10 6 47.31 1.02 0 1 4 1 1311.24 5.21 0 1 14 9 6.64 0.83 0 2 -8 4 168.99 1.69 0 2 -6 2 29.46 0.98 0 3 -9 7 1.08 0.75 0 3 -8 5 64.06 1.16 0 3 6 2 20.10 0.95 0 3 15 10 22.82 0.93 0 4 9 4 115.01 1.36 0 4 15 10 -1.44 0.82 0 5 -5 4 21.64 0.92 0 5 7 3 1.64 0.74 0 5 15 10 3.07 0.80 0 6 -6 7 52.17 1.26 0 6 6 3 57.41 1.17 0 6 8 4 28.49 0.93 0 6 11 6 5.56 0.77 0 6 14 9 35.55 0.94 0 7 7 4 0.52 0.69 0 7 9 5 117.60 1.39 0 8 11 7 107.81 1.30 0 8 12 8 -1.01 0.68 0 8 14 10 -0.58 0.81 0 9 8 6 6.46 0.76 0 10 11 9 12.60 0.85 0 11 9 9 3.23 0.80 0 ; _shelx_hkl_checksum 93076 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Si1 Si 0.42811(3) 0.60093(3) 0.50042(2) 0.01752(8) Uani 1 1 d . . . . . O1 O 0.49013(9) 0.67592(8) 0.56678(7) 0.02180(18) Uani 1 1 d . . . . . O2 O 0.65573(11) 0.49440(9) 0.66608(8) 0.0309(2) Uani 1 1 d . . . . . O3 O 0.50110(10) 0.67153(8) 0.38472(7) 0.02299(18) Uani 1 1 d . . . . . O4 O 0.63942(9) 0.47782(8) 0.37969(7) 0.02250(18) Uani 1 1 d . . . . . N1 N 0.62861(14) 0.67889(11) 0.69162(10) 0.0309(3) Uani 1 1 d . . . . . H1N H 0.693(2) 0.6375(17) 0.7392(14) 0.033(4) Uiso 1 1 d . . . . . N2 N 0.62503(13) 0.65037(11) 0.25187(9) 0.0282(2) Uani 1 1 d . . . . . H2N H 0.687(2) 0.6002(18) 0.2279(14) 0.039(5) Uiso 1 1 d . . . . . C1 C 0.59474(13) 0.61009(12) 0.64251(9) 0.0221(2) Uani 1 1 d . . . . . C2 C 0.57286(15) 0.81527(13) 0.66537(11) 0.0295(3) Uani 1 1 d . . . . . H2A H 0.5393 0.8391 0.7263 0.035 Uiso 1 1 calc R U . . . H2B H 0.4912 0.8522 0.6119 0.035 Uiso 1 1 calc R U . . . C3 C 0.6830(2) 0.86893(17) 0.62698(16) 0.0485(4) Uani 1 1 d . . . . . H3A H 0.7040 0.8579 0.5597 0.058 Uiso 1 1 calc R U . . . H3B H 0.7710 0.8208 0.6749 0.058 Uiso 1 1 calc R U . . . C4 C 0.6365(3) 1.00753(19) 0.61647(19) 0.0661(6) Uani 1 1 d . . . . . H4A H 0.5456 1.0549 0.5733 0.099 Uiso 1 1 calc R U . . . H4B H 0.7072 1.0396 0.5851 0.099 Uiso 1 1 calc R U . . . H4C H 0.6265 1.0179 0.6842 0.099 Uiso 1 1 calc R U . . . C5 C 0.58710(13) 0.59954(12) 0.34044(9) 0.0209(2) Uani 1 1 d . . . . . C6 C 0.57727(16) 0.78537(13) 0.19728(11) 0.0315(3) Uani 1 1 d . . . . . H6A H 0.5001 0.8318 0.2307 0.038 Uiso 1 1 calc R U . . . H6B H 0.5391 0.8023 0.1263 0.038 Uiso 1 1 calc R U . . . C7 C 0.6952(2) 0.83344(16) 0.19522(15) 0.0466(4) Uani 1 1 d . . . . . H7A H 0.7756 0.7822 0.1672 0.056 Uiso 1 1 calc R U . . . H7B H 0.7279 0.8232 0.2659 0.056 Uiso 1 1 calc R U . . . C8 C 0.6480(3) 0.97246(18) 0.13046(17) 0.0579(5) Uani 1 1 d . . . . . H8A H 0.6208 0.9822 0.0595 0.087 Uiso 1 1 calc R U . . . H8B H 0.7258 1.0011 0.1332 0.087 Uiso 1 1 calc R U . . . H8C H 0.5671 1.0233 0.1572 0.087 Uiso 1 1 calc R U . . . C9 C 0.24351(13) 0.71016(12) 0.44592(10) 0.0238(2) Uani 1 1 d . . . . . H9A H 0.1967 0.7487 0.4964 0.036 Uiso 1 1 calc R U . . . H9B H 0.1920 0.6626 0.4284 0.036 Uiso 1 1 calc R U . . . H9C H 0.2448 0.7765 0.3843 0.036 Uiso 1 1 calc R U . . . Si2 Si 1.07242(3) 0.39884(3) 0.05206(2) 0.01791(8) Uani 1 1 d . . . . . O5 O 1.00035(10) 0.32842(8) -0.02781(7) 0.02319(19) Uani 1 1 d . . . . . O6 O 0.86048(9) 0.52249(8) -0.13151(7) 0.02287(18) Uani 1 1 d . . . . . O7 O 1.01027(9) 0.32304(8) 0.15642(7) 0.02235(18) Uani 1 1 d . . . . . O8 O 0.84449(11) 0.50300(9) 0.16498(8) 0.0317(2) Uani 1 1 d . . . . . N3 N 0.87449(13) 0.34997(11) -0.17058(9) 0.0266(2) Uani 1 1 d . . . . . H3N H 0.8122(19) 0.3990(17) -0.2220(14) 0.033(5) Uiso 1 1 d . . . . . N4 N 0.86846(14) 0.31579(11) 0.28047(10) 0.0330(3) Uani 1 1 d . . . . . H4N H 0.802(2) 0.3563(18) 0.3073(14) 0.036(5) Uiso 1 1 d . . . . . C10 C 0.91334(13) 0.40061(12) -0.10837(9) 0.0207(2) Uani 1 1 d . . . . . C11 C 0.92280(15) 0.21523(13) -0.15611(11) 0.0288(3) Uani 1 1 d . . . . . H11A H 1.0028 0.1690 -0.1009 0.035 Uiso 1 1 calc R U . . . H11B H 0.9573 0.1995 -0.2197 0.035 Uiso 1 1 calc R U . . . C12 C 0.8070(2) 0.16504(17) -0.12892(16) 0.0464(4) Uani 1 1 d . . . . . H12A H 0.7220 0.2190 -0.1789 0.056 Uiso 1 1 calc R U . . . H12B H 0.7820 0.1694 -0.0605 0.056 Uiso 1 1 calc R U . . . C13 C 0.8517(3) 0.02872(18) -0.12854(18) 0.0579(5) Uani 1 1 d . . . . . H13A H 0.8684 0.0252 -0.1977 0.087 Uiso 1 1 calc R U . . . H13B H 0.7768 -0.0024 -0.1060 0.087 Uiso 1 1 calc R U . . . H13C H 0.9386 -0.0242 -0.0817 0.087 Uiso 1 1 calc R U . . . C14 C 0.90421(14) 0.38729(12) 0.19845(9) 0.0231(2) Uani 1 1 d . . . . . C15 C 0.92386(16) 0.17853(13) 0.32025(12) 0.0323(3) Uani 1 1 d . . . . . H15A H 0.9659 0.1505 0.3921 0.039 Uiso 1 1 calc R U . . . H15B H 0.9994 0.1439 0.2802 0.039 Uiso 1 1 calc R U . . . C16 C 0.8109(2) 0.12728(17) 0.31544(17) 0.0516(5) Uani 1 1 d . . . . . H16A H 0.7754 0.1488 0.2430 0.062 Uiso 1 1 calc R U . . . H16B H 0.7312 0.1688 0.3495 0.062 Uiso 1 1 calc R U . . . C17 C 0.8622(2) -0.01509(18) 0.36569(17) 0.0549(5) Uani 1 1 d . . . . . H17A H 0.9384 -0.0571 0.3304 0.082 Uiso 1 1 calc R U . . . H17B H 0.7839 -0.0428 0.3615 0.082 Uiso 1 1 calc R U . . . H17C H 0.8974 -0.0371 0.4375 0.082 Uiso 1 1 calc R U . . . C18 C 1.25635(13) 0.28791(12) 0.05405(10) 0.0243(2) Uani 0.5 1 d . . P A 1 H18A H 1.3176 0.2868 0.1091 0.036 Uiso 0.5 1 calc R U P A 1 H18B H 1.2906 0.3159 -0.0116 0.036 Uiso 0.5 1 calc R U P A 1 H18C H 1.2576 0.2027 0.0658 0.036 Uiso 0.5 1 calc R U P A 1 C18A C 1.25635(13) 0.28791(12) 0.05405(10) 0.0243(2) Uani 0.5 1 d . . P A 2 H18D H 1.2576 0.2428 0.0052 0.036 Uiso 0.5 1 calc R U P A 2 H18E H 1.2905 0.2269 0.1229 0.036 Uiso 0.5 1 calc R U P A 2 H18F H 1.3176 0.3358 0.0351 0.036 Uiso 0.5 1 calc R U P A 2 O9 O 1.0414(5) 0.3883(5) 0.5958(3) 0.0900(12) Uani 0.5 1 d D U P B -1 C19 C 1.0846(15) 0.3972(13) 0.4938(8) 0.093(4) Uani 0.5 1 d D U P B -1 H19A H 1.0860 0.3227 0.4760 0.112 Uiso 0.5 1 calc R U P B -1 H19B H 1.1812 0.3973 0.4933 0.112 Uiso 0.5 1 calc R U P B -1 C20 C 0.9865(15) 0.5141(9) 0.4169(8) 0.060(2) Uani 0.5 1 d D U P B -1 H20A H 0.9178 0.4963 0.3798 0.072 Uiso 0.5 1 calc R U P B -1 H20B H 1.0384 0.5548 0.3671 0.072 Uiso 0.5 1 calc R U P B -1 C21 C 0.9136(12) 0.5963(12) 0.4811(7) 0.068(2) Uani 0.5 1 d D U P B -1 H21A H 0.9235 0.6791 0.4571 0.082 Uiso 0.5 1 calc R U P B -1 H21B H 0.8121 0.6104 0.4792 0.082 Uiso 0.5 1 calc R U P B -1 C22 C 0.9891(15) 0.5213(10) 0.5859(9) 0.068(2) Uani 0.5 1 d D U P B -1 H22A H 1.0687 0.5458 0.5975 0.081 Uiso 0.5 1 calc R U P B -1 H22B H 0.9240 0.5382 0.6375 0.081 Uiso 0.5 1 calc R U P B -1 O10 O 0.4587(10) 0.5767(13) 0.9017(7) 0.177(3) Uani 0.5 1 d D U P C -1 C23 C 0.4146(13) 0.6106(12) 0.9926(10) 0.135(4) Uani 0.5 1 d D U P C -1 H23A H 0.3123 0.6298 0.9942 0.162 Uiso 0.5 1 calc R U P C -1 H23B H 0.4325 0.6868 0.9916 0.162 Uiso 0.5 1 calc R U P C -1 C24 C 0.4937(8) 0.5053(6) 1.0825(6) 0.0583(14) Uani 0.5 1 d D U P C -1 H24A H 0.4293 0.4757 1.1272 0.070 Uiso 0.5 1 calc R U P C -1 H24B H 0.5527 0.5301 1.1221 0.070 Uiso 0.5 1 calc R U P C -1 C25 C 0.5850(7) 0.4034(9) 1.0405(6) 0.0763(18) Uani 0.5 1 d D U P C -1 H25A H 0.6824 0.4016 1.0411 0.092 Uiso 0.5 1 calc R U P C -1 H25B H 0.5883 0.3199 1.0840 0.092 Uiso 0.5 1 calc R U P C -1 C26 C 0.5287(9) 0.4282(15) 0.9392(8) 0.115(3) Uani 0.5 1 d D U P C -1 H26A H 0.4579 0.3900 0.9380 0.138 Uiso 0.5 1 calc R U P C -1 H26B H 0.6037 0.3971 0.8975 0.138 Uiso 0.5 1 calc R U P C -1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Si1 0.01750(16) 0.01709(16) 0.01849(16) -0.00705(12) 0.00207(11) -0.00605(12) O1 0.0247(4) 0.0191(4) 0.0214(4) -0.0069(3) -0.0020(3) -0.0077(3) O2 0.0335(5) 0.0213(5) 0.0338(5) -0.0091(4) -0.0101(4) -0.0054(4) O3 0.0270(5) 0.0191(4) 0.0232(4) -0.0076(3) 0.0090(3) -0.0084(4) O4 0.0240(4) 0.0195(4) 0.0231(4) -0.0071(3) 0.0079(3) -0.0069(3) N1 0.0370(7) 0.0222(5) 0.0316(6) -0.0076(5) -0.0119(5) -0.0097(5) N2 0.0319(6) 0.0219(5) 0.0278(6) -0.0068(4) 0.0140(5) -0.0077(5) C1 0.0234(6) 0.0229(6) 0.0212(6) -0.0078(5) 0.0009(4) -0.0093(5) C2 0.0342(7) 0.0233(6) 0.0321(7) -0.0117(5) -0.0035(5) -0.0099(5) C3 0.0499(10) 0.0369(9) 0.0630(11) -0.0116(8) 0.0073(8) -0.0248(8) C4 0.0934(17) 0.0371(10) 0.0730(14) -0.0074(9) -0.0077(12) -0.0389(11) C5 0.0200(6) 0.0220(6) 0.0223(6) -0.0080(4) 0.0044(4) -0.0091(5) C6 0.0335(7) 0.0245(6) 0.0303(7) -0.0037(5) 0.0110(5) -0.0081(6) C7 0.0535(10) 0.0344(8) 0.0526(10) -0.0056(7) -0.0015(8) -0.0241(8) C8 0.0758(14) 0.0360(9) 0.0640(12) -0.0063(8) 0.0150(10) -0.0315(10) C9 0.0200(6) 0.0243(6) 0.0250(6) -0.0075(5) 0.0009(4) -0.0061(5) Si2 0.01810(16) 0.01782(16) 0.01716(15) -0.00591(12) 0.00208(11) -0.00581(12) O5 0.0274(5) 0.0198(4) 0.0217(4) -0.0064(3) -0.0031(3) -0.0084(4) O6 0.0253(4) 0.0192(4) 0.0232(4) -0.0072(3) -0.0037(3) -0.0070(3) O7 0.0244(4) 0.0209(4) 0.0212(4) -0.0074(3) 0.0070(3) -0.0074(3) O8 0.0342(5) 0.0222(5) 0.0329(5) -0.0067(4) 0.0146(4) -0.0059(4) N3 0.0303(6) 0.0210(5) 0.0272(6) -0.0085(4) -0.0069(4) -0.0075(5) N4 0.0384(7) 0.0235(6) 0.0344(6) -0.0079(5) 0.0203(5) -0.0100(5) C10 0.0206(6) 0.0217(6) 0.0213(5) -0.0080(4) 0.0021(4) -0.0087(5) C11 0.0328(7) 0.0227(6) 0.0312(7) -0.0116(5) -0.0035(5) -0.0086(5) C12 0.0541(10) 0.0361(9) 0.0608(11) -0.0203(8) 0.0187(8) -0.0265(8) C13 0.0822(15) 0.0368(9) 0.0667(13) -0.0172(9) 0.0087(11) -0.0356(10) C14 0.0251(6) 0.0246(6) 0.0216(6) -0.0093(5) 0.0060(5) -0.0101(5) C15 0.0336(7) 0.0245(7) 0.0342(7) -0.0036(5) 0.0115(6) -0.0104(6) C16 0.0475(10) 0.0333(8) 0.0721(13) -0.0100(8) -0.0050(9) -0.0188(8) C17 0.0659(13) 0.0364(9) 0.0662(12) -0.0118(8) 0.0112(10) -0.0274(9) C18 0.0201(6) 0.0257(6) 0.0256(6) -0.0103(5) 0.0028(4) -0.0053(5) C18A 0.0201(6) 0.0257(6) 0.0256(6) -0.0103(5) 0.0028(4) -0.0053(5) O9 0.084(3) 0.093(3) 0.079(3) -0.012(2) -0.008(2) -0.030(2) C19 0.070(5) 0.088(5) 0.092(7) -0.021(5) 0.039(5) -0.004(4) C20 0.069(5) 0.067(4) 0.056(3) -0.021(3) 0.007(3) -0.038(4) C21 0.050(3) 0.101(5) 0.054(4) -0.024(3) 0.016(3) -0.029(3) C22 0.062(5) 0.091(6) 0.069(4) -0.034(4) 0.015(3) -0.043(4) O10 0.120(5) 0.267(8) 0.120(5) -0.054(6) -0.001(4) -0.052(6) C23 0.104(6) 0.150(7) 0.127(7) -0.046(6) 0.074(6) -0.019(5) C24 0.058(3) 0.061(3) 0.082(4) -0.042(3) 0.031(3) -0.037(3) C25 0.042(3) 0.147(5) 0.057(3) -0.062(3) 0.013(2) -0.032(3) C26 0.065(4) 0.224(8) 0.085(5) -0.104(6) 0.012(3) -0.043(6) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Si1 O3 89.83(4) . . ? O1 Si1 C9 105.88(5) . . ? O3 Si1 C9 92.30(5) . . ? O1 Si1 O4 90.42(4) . 2_666 ? O3 Si1 O4 177.53(4) . 2_666 ? C9 Si1 O4 90.00(5) . 2_666 ? O1 Si1 Si1 119.66(4) . 2_666 ? O3 Si1 Si1 89.77(3) . 2_666 ? C9 Si1 Si1 134.42(5) . 2_666 ? O4 Si1 Si1 87.98(3) 2_666 2_666 ? C1 O1 Si1 120.71(8) . . ? C5 O3 Si1 119.92(8) . . ? C5 O4 Si1 119.41(8) . 2_666 ? C1 N1 C2 127.30(12) . . ? C1 N1 H1N 114.7(13) . . ? C2 N1 H1N 117.8(13) . . ? C5 N2 C6 125.22(11) . . ? C5 N2 H2N 116.6(13) . . ? C6 N2 H2N 117.9(13) . . ? O2 C1 O1 122.44(11) . . ? O2 C1 N1 122.60(12) . . ? O1 C1 N1 114.96(11) . . ? N1 C2 C3 111.56(13) . . ? N1 C2 H2A 109.3 . . ? C3 C2 H2A 109.3 . . ? N1 C2 H2B 109.3 . . ? C3 C2 H2B 109.3 . . ? H2A C2 H2B 108.0 . . ? C2 C3 C4 112.75(17) . . ? C2 C3 H3A 109.0 . . ? C4 C3 H3A 109.0 . . ? C2 C3 H3B 109.0 . . ? C4 C3 H3B 109.0 . . ? H3A C3 H3B 107.8 . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? O3 C5 O4 122.44(11) . . ? O3 C5 N2 119.62(11) . . ? O4 C5 N2 117.94(11) . . ? N2 C6 C7 111.92(13) . . ? N2 C6 H6A 109.2 . . ? C7 C6 H6A 109.2 . . ? N2 C6 H6B 109.2 . . ? C7 C6 H6B 109.2 . . ? H6A C6 H6B 107.9 . . ? C6 C7 C8 111.83(16) . . ? C6 C7 H7A 109.3 . . ? C8 C7 H7A 109.3 . . ? C6 C7 H7B 109.3 . . ? C8 C7 H7B 109.3 . . ? H7A C7 H7B 107.9 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? Si1 C9 H9A 109.5 . . ? Si1 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? Si1 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? O7 Si2 C18A 105.24(5) . . ? O7 Si2 C18 105.24(5) . . ? O7 Si2 O5 89.67(4) . . ? C18A Si2 O5 91.53(5) . . ? C18 Si2 O5 91.53(5) . . ? O7 Si2 O6 90.81(4) . 2_765 ? C18A Si2 O6 90.63(5) . 2_765 ? C18 Si2 O6 90.63(5) . 2_765 ? O5 Si2 O6 177.58(4) . 2_765 ? O7 Si2 Si2 119.42(4) . 2_765 ? C18A Si2 Si2 135.33(5) . 2_765 ? C18 Si2 Si2 135.33(5) . 2_765 ? O5 Si2 Si2 89.85(3) . 2_765 ? O6 Si2 Si2 87.85(3) 2_765 2_765 ? C10 O5 Si2 119.92(8) . . ? C10 O6 Si2 119.51(8) . 2_765 ? C14 O7 Si2 121.16(8) . . ? C10 N3 C11 125.24(11) . . ? C10 N3 H3N 118.5(12) . . ? C11 N3 H3N 116.1(12) . . ? C14 N4 C15 126.85(12) . . ? C14 N4 H4N 114.6(13) . . ? C15 N4 H4N 118.3(13) . . ? O5 C10 O6 122.48(11) . . ? O5 C10 N3 119.58(11) . . ? O6 C10 N3 117.94(11) . . ? N3 C11 C12 112.07(13) . . ? N3 C11 H11A 109.2 . . ? C12 C11 H11A 109.2 . . ? N3 C11 H11B 109.2 . . ? C12 C11 H11B 109.2 . . ? H11A C11 H11B 107.9 . . ? C11 C12 C13 111.86(16) . . ? C11 C12 H12A 109.2 . . ? C13 C12 H12A 109.2 . . ? C11 C12 H12B 109.2 . . ? C13 C12 H12B 109.2 . . ? H12A C12 H12B 107.9 . . ? C12 C13 H13A 109.5 . . ? C12 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C12 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? O8 C14 O7 122.60(11) . . ? O8 C14 N4 122.85(12) . . ? O7 C14 N4 114.55(11) . . ? N4 C15 C16 111.76(13) . . ? N4 C15 H15A 109.3 . . ? C16 C15 H15A 109.3 . . ? N4 C15 H15B 109.3 . . ? C16 C15 H15B 109.3 . . ? H15A C15 H15B 107.9 . . ? C15 C16 C17 113.09(16) . . ? C15 C16 H16A 109.0 . . ? C17 C16 H16A 109.0 . . ? C15 C16 H16B 109.0 . . ? C17 C16 H16B 109.0 . . ? H16A C16 H16B 107.8 . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? Si2 C18 H18A 109.5 . . ? Si2 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? Si2 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? Si2 C18A H18D 109.5 . . ? Si2 C18A H18E 109.5 . . ? H18D C18A H18E 109.5 . . ? Si2 C18A H18F 109.5 . . ? H18D C18A H18F 109.5 . . ? H18E C18A H18F 109.5 . . ? C22 O9 C19 98.5(9) . . ? O9 C19 C20 110.7(8) . . ? O9 C19 H19A 109.5 . . ? C20 C19 H19A 109.5 . . ? O9 C19 H19B 109.5 . . ? C20 C19 H19B 109.5 . . ? H19A C19 H19B 108.1 . . ? C19 C20 C21 103.1(7) . . ? C19 C20 H20A 111.2 . . ? C21 C20 H20A 111.2 . . ? C19 C20 H20B 111.2 . . ? C21 C20 H20B 111.2 . . ? H20A C20 H20B 109.1 . . ? C22 C21 C20 103.5(7) . . ? C22 C21 H21A 111.1 . . ? C20 C21 H21A 111.1 . . ? C22 C21 H21B 111.1 . . ? C20 C21 H21B 111.1 . . ? H21A C21 H21B 109.0 . . ? O9 C22 C21 108.9(9) . . ? O9 C22 H22A 109.9 . . ? C21 C22 H22A 109.9 . . ? O9 C22 H22B 109.9 . . ? C21 C22 H22B 109.9 . . ? H22A C22 H22B 108.3 . . ? C23 O10 C26 105.3(9) . . ? O10 C23 C24 108.8(8) . . ? O10 C23 H23A 109.9 . . ? C24 C23 H23A 109.9 . . ? O10 C23 H23B 109.9 . . ? C24 C23 H23B 109.9 . . ? H23A C23 H23B 108.3 . . ? C23 C24 C25 104.7(6) . . ? C23 C24 H24A 110.8 . . ? C25 C24 H24A 110.8 . . ? C23 C24 H24B 110.8 . . ? C25 C24 H24B 110.8 . . ? H24A C24 H24B 108.9 . . ? C26 C25 C24 109.7(6) . . ? C26 C25 H25A 109.7 . . ? C24 C25 H25A 109.7 . . ? C26 C25 H25B 109.7 . . ? C24 C25 H25B 109.7 . . ? H25A C25 H25B 108.2 . . ? C25 C26 O10 101.1(8) . . ? C25 C26 H26A 111.5 . . ? O10 C26 H26A 111.5 . . ? C25 C26 H26B 111.5 . . ? O10 C26 H26B 111.5 . . ? H26A C26 H26B 109.4 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Si1 O1 1.7201(9) . ? Si1 O3 1.8636(9) . ? Si1 C9 1.8647(13) . ? Si1 O4 1.9092(9) 2_666 ? Si1 Si1 2.3346(6) 2_666 ? O1 C1 1.3278(15) . ? O2 C1 1.2329(16) . ? O3 C5 1.2869(15) . ? O4 C5 1.2919(15) . ? O4 Si1 1.9092(9) 2_666 ? N1 C1 1.3423(16) . ? N1 C2 1.4481(17) . ? N1 H1N 0.828(19) . ? N2 C5 1.3200(16) . ? N2 C6 1.4566(17) . ? N2 H2N 0.85(2) . ? C2 C3 1.512(2) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C3 C4 1.512(3) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C6 C7 1.511(2) . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 C8 1.528(2) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? Si2 O7 1.7146(9) . ? Si2 C18A 1.8652(13) . ? Si2 C18 1.8652(13) . ? Si2 O5 1.8666(9) . ? Si2 O6 1.9117(9) 2_765 ? Si2 Si2 2.3370(7) 2_765 ? O5 C10 1.2847(15) . ? O6 C10 1.2944(15) . ? O6 Si2 1.9118(9) 2_765 ? O7 C14 1.3295(15) . ? O8 C14 1.2298(16) . ? N3 C10 1.3237(16) . ? N3 C11 1.4555(16) . ? N3 H3N 0.859(19) . ? N4 C14 1.3404(17) . ? N4 C15 1.4533(18) . ? N4 H4N 0.84(2) . ? C11 C12 1.513(2) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? C12 C13 1.526(2) . ? C12 H12A 0.9900 . ? C12 H12B 0.9900 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C15 C16 1.503(2) . ? C15 H15A 0.9900 . ? C15 H15B 0.9900 . ? C16 C17 1.520(2) . ? C16 H16A 0.9900 . ? C16 H16B 0.9900 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C18A H18D 0.9800 . ? C18A H18E 0.9800 . ? C18A H18F 0.9800 . ? O9 C22 1.447(9) . ? O9 C19 1.461(10) . ? C19 C20 1.481(10) . ? C19 H19A 0.9900 . ? C19 H19B 0.9900 . ? C20 C21 1.516(11) . ? C20 H20A 0.9900 . ? C20 H20B 0.9900 . ? C21 C22 1.491(10) . ? C21 H21A 0.9900 . ? C21 H21B 0.9900 . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? O10 C23 1.454(10) . ? O10 C26 1.572(12) . ? C23 C24 1.455(11) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C24 C25 1.514(8) . ? C24 H24A 0.9900 . ? C24 H24B 0.9900 . ? C25 C26 1.417(8) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 Si1 O1 C1 -111.72(9) . . . . ? C9 Si1 O1 C1 155.95(9) . . . . ? O4 Si1 O1 C1 65.83(9) 2_666 . . . ? Si1 Si1 O1 C1 -22.08(11) 2_666 . . . ? O1 Si1 O3 C5 124.64(9) . . . . ? C9 Si1 O3 C5 -129.47(10) . . . . ? Si1 Si1 O3 C5 4.98(9) 2_666 . . . ? Si1 O1 C1 O2 3.01(17) . . . . ? Si1 O1 C1 N1 -176.74(9) . . . . ? C2 N1 C1 O2 174.36(14) . . . . ? C2 N1 C1 O1 -5.9(2) . . . . ? C1 N1 C2 C3 -110.58(17) . . . . ? N1 C2 C3 C4 -169.99(15) . . . . ? Si1 O3 C5 O4 -8.59(16) . . . . ? Si1 O3 C5 N2 171.81(10) . . . . ? Si1 O4 C5 O3 7.36(16) 2_666 . . . ? Si1 O4 C5 N2 -173.04(9) 2_666 . . . ? C6 N2 C5 O3 0.1(2) . . . . ? C6 N2 C5 O4 -179.54(13) . . . . ? C5 N2 C6 C7 111.49(16) . . . . ? N2 C6 C7 C8 175.26(15) . . . . ? O7 Si2 O5 C10 123.76(10) . . . . ? C18A Si2 O5 C10 -131.00(10) . . . . ? C18 Si2 O5 C10 -131.00(10) . . . . ? Si2 Si2 O5 C10 4.34(9) 2_765 . . . ? C18A Si2 O7 C14 157.32(9) . . . . ? C18 Si2 O7 C14 157.32(9) . . . . ? O5 Si2 O7 C14 -111.18(9) . . . . ? O6 Si2 O7 C14 66.45(9) 2_765 . . . ? Si2 Si2 O7 C14 -21.54(11) 2_765 . . . ? Si2 O5 C10 O6 -7.69(16) . . . . ? Si2 O5 C10 N3 172.73(9) . . . . ? Si2 O6 C10 O5 6.77(16) 2_765 . . . ? Si2 O6 C10 N3 -173.64(9) 2_765 . . . ? C11 N3 C10 O5 -0.1(2) . . . . ? C11 N3 C10 O6 -179.70(12) . . . . ? C10 N3 C11 C12 109.87(16) . . . . ? N3 C11 C12 C13 171.98(15) . . . . ? Si2 O7 C14 O8 0.63(17) . . . . ? Si2 O7 C14 N4 -178.97(9) . . . . ? C15 N4 C14 O8 174.19(15) . . . . ? C15 N4 C14 O7 -6.2(2) . . . . ? C14 N4 C15 C16 -116.72(18) . . . . ? N4 C15 C16 C17 -174.50(16) . . . . ? C22 O9 C19 C20 -35.6(12) . . . . ? O9 C19 C20 C21 19(2) . . . . ? C19 C20 C21 C22 5(2) . . . . ? C19 O9 C22 C21 38.9(10) . . . . ? C20 C21 C22 O9 -28.7(18) . . . . ? C26 O10 C23 C24 20.2(13) . . . . ? O10 C23 C24 C25 -2.0(13) . . . . ? C23 C24 C25 C26 -19.5(12) . . . . ? C24 C25 C26 O10 30.5(10) . . . . ? C23 O10 C26 C25 -31.0(10) . . . . ?