#------------------------------------------------------------------------------ #$Date: 2026-05-04 23:24:43 +0100 (Mon, 04 May 2026) $ #$Revision: 305715 $ #$URL: svn://www.crystallography.net/cod/cif/7/06/44/7064402.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_7064402 loop_ _publ_author_name 'Pramanik, Abhishek' 'Mandal, Shuvankar' 'Borgohain, Parismita' 'Martins, Daniel O. T. A.' 'Sparkes, Hazel A.' 'Tuna, Floriana' 'Singh, Saurabh Kumar' 'Mohanta, Sasankasekhar' _publ_section_title ; Experimental and theoretical insights into two tri- and tetranuclear DyIII SMMs reveal the unusual superiority of triangular dodecahedral DyIII over square antiprismatic DyIII as an SIM centre ; _journal_issue 15 _journal_name_full 'New Journal of Chemistry' _journal_page_first 6330 _journal_page_last 6346 _journal_paper_doi 10.1039/D6NJ00729E _journal_volume 50 _journal_year 2026 _chemical_formula_moiety 'C66 H66 Dy4 N8 O22' _chemical_formula_sum 'C66 H66 Dy4 N8 O22' _chemical_formula_weight 1973.26 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_date 2022-02-27 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2025-11-30 deposited with the CCDC. 2026-03-24 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 102.123(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 12.870(2) _cell_length_b 15.060(3) _cell_length_c 18.148(3) _cell_measurement_reflns_used 4358 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 24.43 _cell_measurement_theta_min 2.17 _cell_volume 3439.0(10) _computing_cell_refinement 'SAINT v8.34A (Bruker, 2013)' _computing_data_collection 'Bruker Apex suite' _computing_data_reduction 'SAINT v8.34A (Bruker, 2013)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL-2014 (Sheldrick 2014)' _computing_structure_solution 'SHELXS-97 (Sheldrick 2008)' _diffrn_ambient_temperature 296.15 _diffrn_measured_fraction_theta_full 0.980 _diffrn_measured_fraction_theta_max 0.980 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0469 _diffrn_reflns_av_unetI/netI 0.0583 _diffrn_reflns_Laue_measured_fraction_full 0.980 _diffrn_reflns_Laue_measured_fraction_max 0.980 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 15761 _diffrn_reflns_point_group_measured_fraction_full 0.980 _diffrn_reflns_point_group_measured_fraction_max 0.980 _diffrn_reflns_theta_full 24.794 _diffrn_reflns_theta_max 24.794 _diffrn_reflns_theta_min 1.774 _diffrn_source 'fine-focus sealed tube' _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 4.378 _exptl_absorpt_correction_T_max 0.7452 _exptl_absorpt_correction_T_min 0.5540 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1429 before and 0.0487 after correction. The Ratio of minimum to maximum transmission is 0.7434. The \l/2 correction factor is 0.00150. ; _exptl_crystal_colour orange _exptl_crystal_density_diffrn 1.906 _exptl_crystal_description block _exptl_crystal_F_000 1916 _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.14 _refine_diff_density_max 2.288 _refine_diff_density_min -1.227 _refine_diff_density_rms 0.151 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.012 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 455 _refine_ls_number_reflns 5808 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.012 _refine_ls_R_factor_all 0.0654 _refine_ls_R_factor_gt 0.0413 _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^)+(0.0600P)^2^+0.0100P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0953 _refine_ls_wR_factor_ref 0.1098 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4349 _reflns_number_total 5808 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d6nj00729e2.cif _cod_data_source_block 2 _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 7064402 _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_max 0.579 _shelx_estimated_absorpt_t_min 0.506 _exptl_absorpt_special_details orange _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C14(H14A,H14B), C29(H29A,H29B) 2.b Aromatic/amide H refined with riding coordinates: C3(H3), C4(H4), C5(H5), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12), C18(H18), C19(H19), C20(H20), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C31(H31) 2.c Idealised Me refined as rotating group: C15(H15A,H15B,H15C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B, H33C) ; _shelx_res_file ; 2.res created by SHELXL-2014/7 TITL 2 in P2(1)/n CELL 0.71073 12.8698 15.0598 18.1484 90 102.123 90 ZERR 2 0.0022 0.0026 0.0031 0 0.002 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N O Dy UNIT 132 132 16 44 8 L.S. 20 PLAN 5 SIZE 0.14 0.16 0.18 TEMP 23 BOND $H fmap 2 acta OMIT -3 49.6 REM REM REM WGHT 0.060000 0.010000 FVAR 0.05465 C1 1 1.027908 0.593252 0.345976 11.00000 0.06304 0.04612 = 0.05079 -0.01184 0.01536 -0.01279 C2 1 1.087913 0.587382 0.421061 11.00000 0.08095 0.06176 = 0.03644 -0.00448 0.01149 -0.00463 C3 1 1.040970 0.604506 0.480705 11.00000 0.10052 0.10983 = 0.02608 -0.00158 0.01630 -0.01621 AFIX 43 H3 2 1.080394 0.598823 0.529664 11.00000 -1.20000 AFIX 0 C4 1 0.935236 0.630233 0.468812 11.00000 0.09590 0.10477 = 0.05631 -0.01187 0.03816 -0.01475 AFIX 43 H4 2 0.904315 0.642832 0.509561 11.00000 -1.20000 AFIX 0 C5 1 0.877742 0.636847 0.398071 11.00000 0.07035 0.07571 = 0.04841 -0.00891 0.02116 0.00989 AFIX 43 H5 2 0.806752 0.653618 0.390615 11.00000 -1.20000 AFIX 0 C6 1 0.920479 0.619701 0.337102 11.00000 0.06769 0.04918 = 0.05554 -0.01231 0.02416 -0.00381 C7 1 0.853061 0.633599 0.263612 11.00000 0.05084 0.04604 = 0.06241 -0.00409 0.02358 0.00789 AFIX 43 H7 2 0.787206 0.659700 0.262296 11.00000 -1.20000 AFIX 0 C8 1 0.806694 0.640949 0.132270 11.00000 0.04098 0.04099 = 0.04023 -0.00341 0.01507 0.00675 C9 1 0.697307 0.653884 0.122798 11.00000 0.04630 0.07038 = 0.06114 -0.00440 0.02794 -0.00329 AFIX 43 H9 2 0.663717 0.643116 0.162559 11.00000 -1.20000 AFIX 0 C10 1 0.639685 0.682415 0.054945 11.00000 0.03318 0.07628 = 0.07001 -0.00502 0.00438 0.00804 AFIX 43 H10 2 0.567112 0.692294 0.049330 11.00000 -1.20000 AFIX 0 C11 1 0.686433 0.696537 -0.004222 11.00000 0.04529 0.07413 = 0.05179 0.00241 0.00298 0.01237 AFIX 43 H11 2 0.645719 0.716267 -0.049796 11.00000 -1.20000 AFIX 0 C12 1 0.793301 0.682057 0.002297 11.00000 0.04146 0.07256 = 0.03753 0.00116 0.01001 0.00755 AFIX 43 H12 2 0.824616 0.692410 -0.038655 11.00000 -1.20000 AFIX 0 C13 1 0.854192 0.652252 0.069305 11.00000 0.03791 0.04319 = 0.04355 -0.00461 0.01157 0.00121 C14 1 1.260643 0.564693 0.499076 11.00000 0.10110 0.10461 = 0.05240 0.00920 -0.00928 0.00477 AFIX 23 H14A 2 1.250125 0.618776 0.525607 11.00000 -1.20000 H14B 2 1.244881 0.514447 0.528332 11.00000 -1.20000 AFIX 0 C15 1 1.365477 0.559795 0.489686 11.00000 0.07704 0.17551 = 0.11188 -0.01265 -0.02000 0.01739 AFIX 137 H15A 2 1.377250 0.503190 0.468524 11.00000 -1.50000 H15B 2 1.413159 0.566599 0.537693 11.00000 -1.50000 H15C 2 1.378066 0.606230 0.456387 11.00000 -1.50000 AFIX 0 C16 1 0.806277 0.417159 0.138146 11.00000 0.04648 0.04607 = 0.03979 -0.00381 0.02529 0.00550 C17 1 0.830413 0.403938 0.215076 11.00000 0.04587 0.04477 = 0.04821 -0.00159 0.01764 -0.00624 C18 1 0.755652 0.374469 0.253961 11.00000 0.07168 0.07417 = 0.04278 0.01164 0.02046 -0.00614 AFIX 43 H18 2 0.774209 0.365620 0.305781 11.00000 -1.20000 AFIX 0 C19 1 0.654391 0.358457 0.215726 11.00000 0.05721 0.08539 = 0.08422 0.00141 0.04125 -0.00462 AFIX 43 H19 2 0.603454 0.339436 0.241750 11.00000 -1.20000 AFIX 0 C20 1 0.627084 0.370208 0.139108 11.00000 0.04571 0.07043 = 0.06688 -0.00917 0.02326 -0.00697 AFIX 43 H20 2 0.558075 0.357963 0.113550 11.00000 -1.20000 AFIX 0 C21 1 0.702108 0.400493 0.098882 11.00000 0.04707 0.05589 = 0.04022 -0.00356 0.01490 0.00085 C22 1 0.666394 0.410362 0.018668 11.00000 0.03746 0.05286 = 0.06874 -0.00178 0.01826 -0.00570 AFIX 43 H22 2 0.593338 0.408138 0.000239 11.00000 -1.20000 AFIX 0 C23 1 0.673170 0.427654 -0.108100 11.00000 0.03797 0.04598 = 0.05675 0.00377 0.01075 -0.00466 C24 1 0.567773 0.455177 -0.135118 11.00000 0.04239 0.06071 = 0.06083 0.00589 0.00878 0.00413 AFIX 43 H24 2 0.526996 0.473807 -0.101345 11.00000 -1.20000 AFIX 0 C25 1 0.524875 0.454791 -0.210331 11.00000 0.03398 0.07844 = 0.07427 0.02227 -0.00546 0.00557 AFIX 43 H25 2 0.455067 0.473351 -0.227528 11.00000 -1.20000 AFIX 0 C26 1 1.415316 0.573216 0.261963 11.00000 0.04869 0.08362 = 0.06175 0.01036 -0.00751 -0.01371 AFIX 43 H26 2 1.445617 0.575270 0.313184 11.00000 -1.20000 AFIX 0 C27 1 1.311292 0.597664 0.236178 11.00000 0.03808 0.05869 = 0.05306 0.00424 0.00638 -0.00164 AFIX 43 H27 2 1.271358 0.616182 0.270520 11.00000 -1.20000 AFIX 0 C28 1 1.264218 0.595366 0.159796 11.00000 0.03817 0.04180 = 0.04664 0.00223 0.00115 -0.00912 C29 1 0.984151 0.373072 0.313696 11.00000 0.06861 0.08622 = 0.03124 0.01854 0.01996 0.00744 AFIX 23 H29A 2 0.936671 0.371315 0.348707 11.00000 -1.20000 H29B 2 1.049062 0.402570 0.338600 11.00000 -1.20000 AFIX 0 C30 1 1.008931 0.282853 0.294926 11.00000 0.08321 0.05909 = 0.12097 0.02549 0.03615 0.00874 AFIX 137 H30A 2 0.944769 0.248416 0.283770 11.00000 -1.50000 H30B 2 1.057348 0.256867 0.336867 11.00000 -1.50000 H30C 2 1.041054 0.283644 0.251735 11.00000 -1.50000 AFIX 0 C31 1 1.229736 0.409502 0.272132 11.00000 0.05103 0.06049 = 0.06016 -0.00150 0.01433 0.00349 AFIX 43 H31 2 1.225147 0.440779 0.315519 11.00000 -1.20000 AFIX 0 C32 1 1.323439 0.307246 0.209184 11.00000 0.09319 0.08480 = 0.08671 -0.00650 0.01971 0.02061 AFIX 137 H32A 2 1.257724 0.279772 0.185169 11.00000 -1.50000 H32B 2 1.377145 0.262511 0.222977 11.00000 -1.50000 H32C 2 1.345035 0.348595 0.175029 11.00000 -1.50000 AFIX 0 C33 1 1.392135 0.343639 0.344166 11.00000 0.08418 0.09674 = 0.08361 0.02773 -0.01210 0.02296 AFIX 137 H33A 2 1.458269 0.365644 0.334983 11.00000 -1.50000 H33B 2 1.399674 0.282035 0.357842 11.00000 -1.50000 H33C 2 1.372861 0.376756 0.384474 11.00000 -1.50000 AFIX 0 DY1 5 1.026522 0.529781 0.174594 11.00000 0.03848 0.03990 = 0.03112 -0.00232 0.00897 0.00150 DY2 5 0.918439 0.394148 -0.006695 11.00000 0.03366 0.03897 = 0.03401 -0.00213 0.00959 -0.00172 N1 3 0.875510 0.613250 0.199623 11.00000 0.04134 0.04205 = 0.03985 -0.00566 0.01222 0.00426 N2 3 0.723931 0.421858 -0.030152 11.00000 0.03531 0.04140 = 0.04335 0.00121 0.01053 -0.00227 N3 3 1.309058 0.353536 0.275750 11.00000 0.04723 0.05938 = 0.05558 0.01269 0.00154 0.00547 N4 3 0.914019 0.221066 0.055260 11.00000 0.06339 0.04972 = 0.08794 0.01265 0.02372 0.00072 O1 4 1.075992 0.579533 0.290024 11.00000 0.04674 0.06670 = 0.03951 -0.01370 0.01494 -0.00100 O2 4 0.959366 0.634829 0.080373 11.00000 0.02961 0.04885 = 0.03701 -0.00418 0.00958 0.00324 O3 4 1.192484 0.564020 0.426135 11.00000 0.06639 0.12931 = 0.04347 -0.00476 -0.00192 0.00145 O4 4 0.882370 0.446298 0.105119 11.00000 0.03636 0.04879 = 0.03659 -0.00216 0.01651 -0.00474 O5 4 1.160877 0.615380 0.135840 11.00000 0.03342 0.04815 = 0.04275 -0.00271 0.00777 -0.00363 O6 4 0.935167 0.423556 0.248295 11.00000 0.05747 0.04725 = 0.04249 0.00268 0.01618 -0.00165 O7 4 1.067662 0.466518 0.061109 11.00000 0.03593 0.04215 = 0.03024 -0.00280 0.01200 0.00187 O8 4 1.160293 0.423231 0.214133 11.00000 0.04322 0.05515 = 0.04607 0.00572 0.00076 0.00940 O9 4 0.838086 0.251704 0.007029 11.00000 0.06385 0.04870 = 0.08563 0.01507 0.00054 -0.00810 O10 4 0.994204 0.268399 0.072219 11.00000 0.05343 0.07345 = 0.08147 0.02820 -0.00667 -0.00373 O11 4 0.909004 0.148553 0.083884 11.00000 0.09886 0.07846 = 0.18612 0.07249 0.00837 -0.00872 HKLF 4 REM 2 in P2(1)/n REM R1 = 0.0413 for 4349 Fo > 4sig(Fo) and 0.0654 for all 5808 data REM 455 parameters refined using 0 restraints END WGHT 0.0557 0.0000 REM Highest difference peak 2.288, deepest hole -1.227, 1-sigma level 0.151 Q1 1 1.0147 0.3771 0.0053 11.00000 0.05 2.29 Q2 1 1.0990 0.5301 0.1856 11.00000 0.05 1.50 Q3 1 0.8415 0.3905 -0.0156 11.00000 0.05 1.18 Q4 1 1.0096 0.6017 0.1671 11.00000 0.05 1.02 Q5 1 0.9549 0.3216 0.0127 11.00000 0.05 1.02 ; _shelx_res_checksum 31824 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' 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 C1 C 1.0279(7) 0.5933(6) 0.3460(5) 0.053(2) Uani 1 1 d . . . . . C2 C 1.0879(8) 0.5874(6) 0.4211(5) 0.060(3) Uani 1 1 d . . . . . C3 C 1.0410(10) 0.6045(8) 0.4807(6) 0.078(3) Uani 1 1 d . . . . . H3 H 1.0804 0.5988 0.5297 0.094 Uiso 1 1 calc R . . . . C4 C 0.9352(10) 0.6302(8) 0.4688(6) 0.082(3) Uani 1 1 d . . . . . H4 H 0.9043 0.6428 0.5096 0.099 Uiso 1 1 calc R . . . . C5 C 0.8777(8) 0.6368(7) 0.3981(6) 0.064(3) Uani 1 1 d . . . . . H5 H 0.8068 0.6536 0.3906 0.076 Uiso 1 1 calc R . . . . C6 C 0.9205(8) 0.6197(6) 0.3371(6) 0.056(2) Uani 1 1 d . . . . . C7 C 0.8531(7) 0.6336(6) 0.2636(5) 0.051(2) Uani 1 1 d . . . . . H7 H 0.7872 0.6597 0.2623 0.062 Uiso 1 1 calc R . . . . C8 C 0.8067(6) 0.6409(5) 0.1323(5) 0.0398(19) Uani 1 1 d . . . . . C9 C 0.6973(7) 0.6539(6) 0.1228(6) 0.057(2) Uani 1 1 d . . . . . H9 H 0.6637 0.6431 0.1626 0.068 Uiso 1 1 calc R . . . . C10 C 0.6397(7) 0.6824(6) 0.0549(6) 0.061(3) Uani 1 1 d . . . . . H10 H 0.5671 0.6923 0.0493 0.073 Uiso 1 1 calc R . . . . C11 C 0.6864(7) 0.6965(6) -0.0042(5) 0.058(2) Uani 1 1 d . . . . . H11 H 0.6457 0.7163 -0.0498 0.070 Uiso 1 1 calc R . . . . C12 C 0.7933(6) 0.6821(6) 0.0023(5) 0.050(2) Uani 1 1 d . . . . . H12 H 0.8246 0.6924 -0.0387 0.060 Uiso 1 1 calc R . . . . C13 C 0.8542(6) 0.6523(5) 0.0693(5) 0.041(2) Uani 1 1 d . . . . . C14 C 1.2606(10) 0.5647(9) 0.4991(6) 0.090(4) Uani 1 1 d . . . . . H14A H 1.2501 0.6188 0.5256 0.108 Uiso 1 1 calc R . . . . H14B H 1.2449 0.5144 0.5283 0.108 Uiso 1 1 calc R . . . . C15 C 1.3655(10) 0.5598(11) 0.4897(8) 0.127(6) Uani 1 1 d . . . . . H15A H 1.3773 0.5032 0.4685 0.191 Uiso 1 1 calc GR . . . . H15B H 1.4132 0.5666 0.5377 0.191 Uiso 1 1 calc GR . . . . H15C H 1.3781 0.6062 0.4564 0.191 Uiso 1 1 calc GR . . . . C16 C 0.8063(6) 0.4172(5) 0.1381(5) 0.042(2) Uani 1 1 d . . . . . C17 C 0.8304(6) 0.4039(5) 0.2151(5) 0.045(2) Uani 1 1 d . . . . . C18 C 0.7557(8) 0.3745(6) 0.2540(5) 0.062(3) Uani 1 1 d . . . . . H18 H 0.7742 0.3656 0.3058 0.074 Uiso 1 1 calc R . . . . C19 C 0.6544(8) 0.3585(7) 0.2157(7) 0.072(3) Uani 1 1 d . . . . . H19 H 0.6035 0.3394 0.2417 0.086 Uiso 1 1 calc R . . . . C20 C 0.6271(7) 0.3702(6) 0.1391(6) 0.059(3) Uani 1 1 d . . . . . H20 H 0.5581 0.3580 0.1135 0.071 Uiso 1 1 calc R . . . . C21 C 0.7021(6) 0.4005(6) 0.0989(5) 0.047(2) Uani 1 1 d . . . . . C22 C 0.6664(7) 0.4104(6) 0.0187(5) 0.052(2) Uani 1 1 d . . . . . H22 H 0.5933 0.4081 0.0002 0.062 Uiso 1 1 calc R . . . . C23 C 0.6732(6) 0.4277(5) -0.1081(5) 0.047(2) Uani 1 1 d . . . . . C24 C 0.5678(7) 0.4552(6) -0.1351(5) 0.055(2) Uani 1 1 d . . . . . H24 H 0.5270 0.4738 -0.1013 0.066 Uiso 1 1 calc R . . . . C25 C 0.5249(7) 0.4548(7) -0.2103(6) 0.065(3) Uani 1 1 d . . . . . H25 H 0.4551 0.4734 -0.2275 0.078 Uiso 1 1 calc R . . . . C26 C 1.4153(7) 0.5732(7) 0.2620(6) 0.067(3) Uani 1 1 d . . . . . H26 H 1.4456 0.5753 0.3132 0.081 Uiso 1 1 calc R . . . . C27 C 1.3113(6) 0.5977(6) 0.2362(5) 0.050(2) Uani 1 1 d . . . . . H27 H 1.2714 0.6162 0.2705 0.060 Uiso 1 1 calc R . . . . C28 C 1.2642(6) 0.5954(5) 0.1598(5) 0.043(2) Uani 1 1 d . . . . . C29 C 0.9842(8) 0.3731(7) 0.3137(5) 0.061(3) Uani 1 1 d . . . . . H29A H 0.9367 0.3713 0.3487 0.073 Uiso 1 1 calc R . . . . H29B H 1.0491 0.4026 0.3386 0.073 Uiso 1 1 calc R . . . . C30 C 1.0089(9) 0.2829(7) 0.2949(7) 0.086(4) Uani 1 1 d . . . . . H30A H 0.9448 0.2484 0.2838 0.128 Uiso 1 1 calc GR . . . . H30B H 1.0573 0.2569 0.3369 0.128 Uiso 1 1 calc GR . . . . H30C H 1.0411 0.2836 0.2517 0.128 Uiso 1 1 calc GR . . . . C31 C 1.2297(7) 0.4095(6) 0.2721(6) 0.057(2) Uani 1 1 d . . . . . H31 H 1.2251 0.4408 0.3155 0.068 Uiso 1 1 calc R . . . . C32 C 1.3234(9) 0.3072(8) 0.2092(6) 0.088(4) Uani 1 1 d . . . . . H32A H 1.2577 0.2798 0.1852 0.132 Uiso 1 1 calc GR . . . . H32B H 1.3771 0.2625 0.2230 0.132 Uiso 1 1 calc GR . . . . H32C H 1.3450 0.3486 0.1750 0.132 Uiso 1 1 calc GR . . . . C33 C 1.3921(9) 0.3436(8) 0.3442(6) 0.093(4) Uani 1 1 d . . . . . H33A H 1.4583 0.3656 0.3350 0.139 Uiso 1 1 calc GR . . . . H33B H 1.3997 0.2820 0.3578 0.139 Uiso 1 1 calc GR . . . . H33C H 1.3729 0.3768 0.3845 0.139 Uiso 1 1 calc GR . . . . Dy1 Dy 1.02652(3) 0.52978(2) 0.17459(2) 0.03626(13) Uani 1 1 d . . . . . Dy2 Dy 0.91844(3) 0.39415(2) -0.00670(2) 0.03518(13) Uani 1 1 d . . . . . N1 N 0.8755(5) 0.6133(4) 0.1996(4) 0.0405(16) Uani 1 1 d . . . . . N2 N 0.7239(5) 0.4219(4) -0.0302(4) 0.0397(16) Uani 1 1 d . . . . . N3 N 1.3091(6) 0.3535(5) 0.2757(4) 0.055(2) Uani 1 1 d . . . . . N4 N 0.9140(7) 0.2211(5) 0.0553(5) 0.066(2) Uani 1 1 d . . . . . O1 O 1.0760(4) 0.5795(4) 0.2900(3) 0.0501(15) Uani 1 1 d . . . . . O2 O 0.9594(4) 0.6348(3) 0.0804(3) 0.0381(12) Uani 1 1 d . . . . . O3 O 1.1925(6) 0.5640(6) 0.4261(4) 0.082(2) Uani 1 1 d . . . . . O4 O 0.8824(4) 0.4463(3) 0.1051(3) 0.0393(13) Uani 1 1 d . . . . . O5 O 1.1609(4) 0.6154(3) 0.1358(3) 0.0415(13) Uani 1 1 d . . . . . O6 O 0.9352(4) 0.4236(4) 0.2483(3) 0.0482(14) Uani 1 1 d . . . . . O7 O 1.0677(4) 0.4665(3) 0.0611(3) 0.0354(12) Uani 1 1 d . . . . . O8 O 1.1603(4) 0.4232(4) 0.2141(3) 0.0494(15) Uani 1 1 d . . . . . O9 O 0.8381(5) 0.2517(4) 0.0070(4) 0.0683(19) Uani 1 1 d . . . . . O10 O 0.9942(5) 0.2684(5) 0.0722(4) 0.073(2) Uani 1 1 d . . . . . O11 O 0.9090(7) 0.1486(6) 0.0839(6) 0.124(4) Uani 1 1 d . . . . . 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 C1 0.063(6) 0.046(5) 0.051(6) -0.012(4) 0.015(5) -0.013(4) C2 0.081(7) 0.062(6) 0.036(6) -0.004(5) 0.011(5) -0.005(5) C3 0.101(9) 0.110(10) 0.026(6) -0.002(6) 0.016(6) -0.016(7) C4 0.096(9) 0.105(9) 0.056(8) -0.012(7) 0.038(7) -0.015(7) C5 0.070(7) 0.076(7) 0.048(7) -0.009(5) 0.021(5) 0.010(5) C6 0.068(6) 0.049(6) 0.056(7) -0.012(5) 0.024(5) -0.004(5) C7 0.051(5) 0.046(5) 0.062(7) -0.004(5) 0.024(5) 0.008(4) C8 0.041(5) 0.041(5) 0.040(5) -0.003(4) 0.015(4) 0.007(4) C9 0.046(5) 0.070(6) 0.061(7) -0.004(5) 0.028(5) -0.003(5) C10 0.033(5) 0.076(7) 0.070(7) -0.005(6) 0.004(5) 0.008(5) C11 0.045(5) 0.074(7) 0.052(6) 0.002(5) 0.003(4) 0.012(5) C12 0.041(5) 0.073(6) 0.038(5) 0.001(5) 0.010(4) 0.008(4) C13 0.038(5) 0.043(5) 0.044(5) -0.005(4) 0.012(4) 0.001(4) C14 0.101(10) 0.105(9) 0.052(7) 0.009(7) -0.009(7) 0.005(8) C15 0.077(9) 0.176(15) 0.112(12) -0.013(11) -0.020(8) 0.017(10) C16 0.046(5) 0.046(5) 0.040(5) -0.004(4) 0.025(4) 0.006(4) C17 0.046(5) 0.045(5) 0.048(6) -0.002(4) 0.018(4) -0.006(4) C18 0.072(7) 0.074(7) 0.043(6) 0.012(5) 0.020(5) -0.006(5) C19 0.057(6) 0.085(8) 0.084(9) 0.001(7) 0.041(6) -0.005(5) C20 0.046(5) 0.070(7) 0.067(7) -0.009(5) 0.023(5) -0.007(5) C21 0.047(5) 0.056(5) 0.040(6) -0.004(4) 0.015(4) 0.001(4) C22 0.037(5) 0.053(6) 0.069(7) -0.002(5) 0.018(5) -0.006(4) C23 0.038(5) 0.046(5) 0.057(6) 0.004(4) 0.011(4) -0.005(4) C24 0.042(5) 0.061(6) 0.061(7) 0.006(5) 0.009(5) 0.004(4) C25 0.034(5) 0.078(7) 0.074(8) 0.022(6) -0.005(5) 0.006(5) C26 0.049(6) 0.084(7) 0.062(7) 0.010(6) -0.008(5) -0.014(5) C27 0.038(5) 0.059(6) 0.053(6) 0.004(5) 0.006(4) -0.002(4) C28 0.038(5) 0.042(5) 0.047(6) 0.002(4) 0.001(4) -0.009(4) C29 0.069(6) 0.086(8) 0.031(5) 0.019(5) 0.020(5) 0.007(5) C30 0.083(8) 0.059(7) 0.121(10) 0.025(7) 0.036(7) 0.009(6) C31 0.051(6) 0.060(6) 0.060(7) -0.002(5) 0.014(5) 0.003(5) C32 0.093(8) 0.085(8) 0.087(9) -0.007(7) 0.020(7) 0.021(7) C33 0.084(8) 0.097(9) 0.084(9) 0.028(7) -0.012(7) 0.023(7) Dy1 0.0385(2) 0.0399(2) 0.0311(2) -0.00232(17) 0.00897(16) 0.00150(16) Dy2 0.0337(2) 0.0390(2) 0.0340(2) -0.00213(17) 0.00959(16) -0.00172(16) N1 0.041(4) 0.042(4) 0.040(4) -0.006(3) 0.012(3) 0.004(3) N2 0.035(4) 0.041(4) 0.043(4) 0.001(3) 0.011(3) -0.002(3) N3 0.047(4) 0.059(5) 0.056(5) 0.013(4) 0.002(4) 0.005(4) N4 0.063(6) 0.050(5) 0.088(7) 0.013(5) 0.024(5) 0.001(4) O1 0.047(3) 0.067(4) 0.040(4) -0.014(3) 0.015(3) -0.001(3) O2 0.030(3) 0.049(3) 0.037(3) -0.004(3) 0.010(2) 0.003(2) O3 0.066(5) 0.129(7) 0.043(4) -0.005(4) -0.002(4) 0.001(4) O4 0.036(3) 0.049(3) 0.037(3) -0.002(3) 0.017(2) -0.005(2) O5 0.033(3) 0.048(3) 0.043(3) -0.003(3) 0.008(2) -0.004(2) O6 0.057(4) 0.047(3) 0.042(4) 0.003(3) 0.016(3) -0.002(3) O7 0.036(3) 0.042(3) 0.030(3) -0.003(2) 0.012(2) 0.002(2) O8 0.043(3) 0.055(4) 0.046(4) 0.006(3) 0.001(3) 0.009(3) O9 0.064(4) 0.049(4) 0.086(5) 0.015(4) 0.001(4) -0.008(3) O10 0.053(4) 0.073(5) 0.081(5) 0.028(4) -0.007(4) -0.004(4) O11 0.099(6) 0.078(6) 0.186(10) 0.072(6) 0.008(6) -0.009(5) 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' Dy Dy -0.1892 4.4098 '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 C6 C1 C2 116.6(9) . . ? O1 C1 C2 118.9(9) . . ? O1 C1 C6 124.4(8) . . ? C3 C2 C1 120.3(10) . . ? C3 C2 O3 125.6(9) . . ? O3 C2 C1 114.0(8) . . ? C2 C3 H3 119.7 . . ? C2 C3 C4 120.7(10) . . ? C4 C3 H3 119.7 . . ? C3 C4 H4 120.2 . . ? C5 C4 C3 119.6(10) . . ? C5 C4 H4 120.2 . . ? C4 C5 H5 119.1 . . ? C4 C5 C6 121.8(10) . . ? C6 C5 H5 119.1 . . ? C1 C6 C7 121.9(8) . . ? C5 C6 C1 120.9(9) . . ? C5 C6 C7 117.1(9) . . ? C6 C7 H7 116.9 . . ? N1 C7 C6 126.2(8) . . ? N1 C7 H7 116.9 . . ? C9 C8 C13 118.7(8) . . ? C9 C8 N1 125.5(8) . . ? N1 C8 C13 115.8(7) . . ? C8 C9 H9 120.1 . . ? C10 C9 C8 119.8(8) . . ? C10 C9 H9 120.1 . . ? C9 C10 H10 119.4 . . ? C11 C10 C9 121.1(8) . . ? C11 C10 H10 119.4 . . ? C10 C11 H11 119.6 . . ? C10 C11 C12 120.7(8) . . ? C12 C11 H11 119.6 . . ? C11 C12 H12 119.9 . . ? C11 C12 C13 120.1(8) . . ? C13 C12 H12 119.9 . . ? C12 C13 C8 119.4(7) . . ? O2 C13 C8 116.5(7) . . ? O2 C13 C12 124.1(7) . . ? H14A C14 H14B 108.4 . . ? C15 C14 H14A 110.1 . . ? C15 C14 H14B 110.1 . . ? C15 C14 O3 107.9(10) . . ? O3 C14 H14A 110.1 . . ? O3 C14 H14B 110.1 . . ? C14 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? C14 C15 H15C 109.5 . . ? H15A C15 H15B 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C17 C16 C21 118.5(7) . . ? O4 C16 C17 118.3(7) . . ? O4 C16 C21 123.2(8) . . ? C16 C17 C18 122.1(8) . . ? C16 C17 O6 113.6(7) . . ? C18 C17 O6 124.3(8) . . ? C17 C18 H18 120.3 . . ? C19 C18 C17 119.4(9) . . ? C19 C18 H18 120.3 . . ? C18 C19 H19 119.8 . . ? C18 C19 C20 120.5(9) . . ? C20 C19 H19 119.8 . . ? C19 C20 H20 119.6 . . ? C19 C20 C21 120.7(9) . . ? C21 C20 H20 119.6 . . ? C16 C21 C20 118.9(8) . . ? C16 C21 C22 124.3(8) . . ? C20 C21 C22 116.8(8) . . ? C21 C22 H22 116.4 . . ? N2 C22 C21 127.3(8) . . ? N2 C22 H22 116.4 . . ? C24 C23 N2 124.8(8) . . ? C28 C23 C24 119.2(8) 3_765 . ? C28 C23 N2 116.0(7) 3_765 . ? C23 C24 H24 119.7 . . ? C25 C24 C23 120.5(9) . . ? C25 C24 H24 119.7 . . ? C24 C25 H25 119.7 . . ? C24 C25 C26 120.6(8) . 3_765 ? C26 C25 H25 119.7 3_765 . ? C25 C26 H26 120.4 3_765 . ? C27 C26 C25 119.2(9) . 3_765 ? C27 C26 H26 120.4 . . ? C26 C27 H27 119.3 . . ? C26 C27 C28 121.5(9) . . ? C28 C27 H27 119.3 . . ? C27 C28 C23 118.8(8) . 3_765 ? O5 C28 C23 120.5(7) . 3_765 ? O5 C28 C27 120.7(8) . . ? H29A C29 H29B 107.9 . . ? C30 C29 H29A 109.1 . . ? C30 C29 H29B 109.1 . . ? O6 C29 H29A 109.1 . . ? O6 C29 H29B 109.1 . . ? O6 C29 C30 112.4(8) . . ? C29 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? C29 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? N3 C31 H31 118.0 . . ? O8 C31 H31 118.0 . . ? O8 C31 N3 124.0(9) . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? N3 C32 H32A 109.5 . . ? N3 C32 H32B 109.5 . . ? N3 C32 H32C 109.5 . . ? H33A C33 H33B 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? N3 C33 H33A 109.5 . . ? N3 C33 H33B 109.5 . . ? N3 C33 H33C 109.5 . . ? Dy2 Dy1 Dy2 62.014(15) 3_765 . ? N1 Dy1 Dy2 105.79(15) . . ? N1 Dy1 Dy2 108.17(16) . 3_765 ? N1 Dy1 O6 75.5(2) . . ? O1 Dy1 Dy2 166.71(16) . . ? O1 Dy1 Dy2 131.00(15) . 3_765 ? O1 Dy1 N1 74.2(2) . . ? O1 Dy1 O2 116.9(2) . . ? O1 Dy1 O4 136.68(19) . . ? O1 Dy1 O5 90.8(2) . . ? O1 Dy1 O6 77.6(2) . . ? O1 Dy1 O7 151.04(18) . . ? O1 Dy1 O8 83.9(2) . . ? O2 Dy1 Dy2 74.11(12) . . ? O2 Dy1 Dy2 41.53(12) . 3_765 ? O2 Dy1 N1 66.6(2) . . ? O2 Dy1 O4 80.99(17) . . ? O2 Dy1 O5 66.43(17) . . ? O2 Dy1 O6 131.94(17) . . ? O2 Dy1 O7 76.10(17) . . ? O4 Dy1 Dy2 89.39(12) . 3_765 ? O4 Dy1 Dy2 33.71(12) . . ? O4 Dy1 N1 78.88(19) . . ? O4 Dy1 O5 131.75(18) . . ? O4 Dy1 O6 63.08(18) . . ? O4 Dy1 O7 68.07(16) . . ? O5 Dy1 Dy2 42.71(13) . 3_765 ? O5 Dy1 Dy2 100.85(13) . . ? O5 Dy1 N1 115.7(2) . . ? O5 Dy1 O6 161.29(18) . . ? O5 Dy1 O7 70.13(17) . . ? O6 Dy1 Dy2 89.53(13) . . ? O6 Dy1 Dy2 151.42(13) . 3_765 ? O7 Dy1 Dy2 42.44(11) . 3_765 ? O7 Dy1 Dy2 34.47(11) . . ? O7 Dy1 N1 133.29(19) . . ? O7 Dy1 O6 114.16(17) . . ? O8 Dy1 Dy2 90.50(14) . . ? O8 Dy1 Dy2 102.83(14) . 3_765 ? O8 Dy1 N1 148.9(2) . . ? O8 Dy1 O2 144.35(18) . . ? O8 Dy1 O4 103.95(19) . . ? O8 Dy1 O5 85.93(19) . . ? O8 Dy1 O6 78.40(19) . . ? O8 Dy1 O7 73.44(18) . . ? Dy1 Dy2 Dy1 117.986(16) 3_765 . ? Dy1 Dy2 Dy2 64.294(13) 3_765 3_765 ? Dy2 Dy2 Dy1 53.691(12) 3_765 . ? N2 Dy2 Dy1 103.07(15) . . ? N2 Dy2 Dy1 100.28(15) . 3_765 ? N2 Dy2 Dy2 113.17(14) . 3_765 ? N2 Dy2 N4 96.8(2) . . ? N4 Dy2 Dy1 132.49(17) . 3_765 ? N4 Dy2 Dy1 100.42(19) . . ? N4 Dy2 Dy2 143.22(18) . 3_765 ? O2 Dy2 Dy1 42.57(13) 3_765 3_765 ? O2 Dy2 Dy1 115.12(12) 3_765 . ? O2 Dy2 Dy2 76.18(12) 3_765 3_765 ? O2 Dy2 N2 135.8(2) 3_765 . ? O2 Dy2 N4 97.4(2) 3_765 . ? O2 Dy2 O4 149.19(17) 3_765 . ? O2 Dy2 O5 67.54(17) 3_765 3_765 ? O2 Dy2 O7 78.91(17) 3_765 . ? O2 Dy2 O7 78.67(17) 3_765 3_765 ? O2 Dy2 O9 104.5(2) 3_765 . ? O2 Dy2 O10 87.5(2) 3_765 . ? O4 Dy2 Dy1 34.72(12) . . ? O4 Dy2 Dy1 140.83(13) . 3_765 ? O4 Dy2 Dy2 82.46(12) . 3_765 ? O4 Dy2 N2 73.3(2) . . ? O4 Dy2 N4 86.6(2) . . ? O4 Dy2 O5 140.25(17) . 3_765 ? O4 Dy2 O7 96.49(18) . 3_765 ? O4 Dy2 O7 70.84(17) . . ? O4 Dy2 O9 92.4(2) . . ? O4 Dy2 O10 83.0(2) . . ? O5 Dy2 Dy1 151.67(12) 3_765 . ? O5 Dy2 Dy1 43.21(12) 3_765 3_765 ? O5 Dy2 Dy2 103.48(12) 3_765 3_765 ? O5 Dy2 N2 68.25(19) 3_765 . ? O5 Dy2 N4 107.3(2) 3_765 . ? O5 Dy2 O9 86.7(2) 3_765 . ? O5 Dy2 O10 124.8(2) 3_765 . ? O7 Dy2 Dy1 80.80(12) 3_765 . ? O7 Dy2 Dy1 90.67(12) . 3_765 ? O7 Dy2 Dy1 36.24(12) . . ? O7 Dy2 Dy1 44.36(12) 3_765 3_765 ? O7 Dy2 Dy2 35.69(12) . 3_765 ? O7 Dy2 Dy2 35.36(12) 3_765 3_765 ? O7 Dy2 N2 86.60(18) 3_765 . ? O7 Dy2 N2 134.66(19) . . ? O7 Dy2 N4 107.7(2) . . ? O7 Dy2 N4 176.0(2) 3_765 . ? O7 Dy2 O5 133.85(17) . 3_765 ? O7 Dy2 O5 71.98(17) 3_765 3_765 ? O7 Dy2 O7 71.04(19) . 3_765 ? O7 Dy2 O9 133.3(2) . . ? O7 Dy2 O9 155.6(2) 3_765 . ? O7 Dy2 O10 82.5(2) . . ? O7 Dy2 O10 151.99(19) 3_765 . ? O9 Dy2 Dy1 123.71(17) . 3_765 ? O9 Dy2 Dy1 117.74(17) . . ? O9 Dy2 Dy2 168.95(16) . 3_765 ? O9 Dy2 N2 74.3(2) . . ? O9 Dy2 N4 26.0(2) . . ? O9 Dy2 O10 51.7(2) . . ? O10 Dy2 Dy1 83.30(17) . . ? O10 Dy2 Dy1 129.79(17) . 3_765 ? O10 Dy2 Dy2 117.70(16) . 3_765 ? O10 Dy2 N2 119.5(2) . . ? O10 Dy2 N4 25.7(2) . . ? C7 N1 C8 119.3(7) . . ? C7 N1 Dy1 128.9(6) . . ? C8 N1 Dy1 111.8(5) . . ? C22 N2 C23 118.8(7) . . ? C22 N2 Dy2 124.5(6) . . ? C23 N2 Dy2 114.5(5) . . ? C31 N3 C32 120.2(8) . . ? C31 N3 C33 121.9(9) . . ? C32 N3 C33 117.5(8) . . ? O9 N4 Dy2 57.6(4) . . ? O10 N4 Dy2 59.1(4) . . ? O10 N4 O9 116.6(8) . . ? O11 N4 Dy2 176.9(8) . . ? O11 N4 O9 121.6(9) . . ? O11 N4 O10 121.8(9) . . ? C1 O1 Dy1 134.8(5) . . ? C13 O2 Dy1 116.2(5) . . ? C13 O2 Dy2 137.1(5) . 3_765 ? Dy2 O2 Dy1 95.89(17) 3_765 . ? C2 O3 C14 117.6(8) . . ? C16 O4 Dy1 120.3(5) . . ? C16 O4 Dy2 126.0(5) . . ? Dy2 O4 Dy1 111.57(19) . . ? C28 O5 Dy1 121.0(5) . . ? C28 O5 Dy2 120.1(5) . 3_765 ? Dy2 O5 Dy1 94.08(17) 3_765 . ? C17 O6 C29 117.6(6) . . ? C17 O6 Dy1 115.0(5) . . ? C29 O6 Dy1 126.8(5) . . ? Dy2 O7 Dy1 109.29(18) . . ? Dy2 O7 Dy1 93.19(17) 3_765 . ? Dy2 O7 Dy2 108.95(19) . 3_765 ? C31 O8 Dy1 136.0(6) . . ? N4 O9 Dy2 96.4(5) . . ? N4 O10 Dy2 95.2(5) . . ? 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 C1 C2 1.421(13) . ? C1 C6 1.415(13) . ? C1 O1 1.312(10) . ? C2 C3 1.370(13) . ? C2 O3 1.375(11) . ? C3 H3 0.9300 . ? C3 C4 1.387(15) . ? C4 H4 0.9300 . ? C4 C5 1.344(14) . ? C5 H5 0.9300 . ? C5 C6 1.360(12) . ? C6 C7 1.445(13) . ? C7 H7 0.9300 . ? C7 N1 1.291(10) . ? C8 C9 1.396(11) . ? C8 C13 1.415(11) . ? C8 N1 1.413(10) . ? C9 H9 0.9300 . ? C9 C10 1.367(12) . ? C10 H10 0.9300 . ? C10 C11 1.353(13) . ? C11 H11 0.9300 . ? C11 C12 1.373(11) . ? C12 H12 0.9300 . ? C12 C13 1.376(11) . ? C13 O2 1.352(9) . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C14 C15 1.397(16) . ? C14 O3 1.426(11) . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 C17 1.380(11) . ? C16 C21 1.402(11) . ? C16 O4 1.326(9) . ? C17 C18 1.381(11) . ? C17 O6 1.388(9) . ? C18 H18 0.9300 . ? C18 C19 1.363(13) . ? C19 H19 0.9300 . ? C19 C20 1.372(14) . ? C20 H20 0.9300 . ? C20 C21 1.403(12) . ? C21 C22 1.439(12) . ? C22 H22 0.9300 . ? C22 N2 1.280(10) . ? C23 C24 1.405(11) . ? C23 C28 1.403(11) 3_765 ? C23 N2 1.431(10) . ? C24 H24 0.9300 . ? C24 C25 1.361(13) . ? C25 H25 0.9300 . ? C25 C26 1.397(14) 3_765 ? C26 C25 1.397(14) 3_765 ? C26 H26 0.9300 . ? C26 C27 1.372(12) . ? C27 H27 0.9300 . ? C27 C28 1.392(11) . ? C28 C23 1.403(11) 3_765 ? C28 O5 1.344(9) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C29 C30 1.452(13) . ? C29 O6 1.439(10) . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 H31 0.9300 . ? C31 N3 1.315(11) . ? C31 O8 1.247(10) . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C32 N3 1.440(12) . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C33 N3 1.466(11) . ? Dy1 Dy2 3.4649(7) 3_765 ? Dy1 Dy2 3.8742(7) . ? Dy1 N1 2.436(6) . ? Dy1 O1 2.190(5) . ? Dy1 O2 2.356(5) . ? Dy1 O4 2.373(5) . ? Dy1 O5 2.378(5) . ? Dy1 O6 2.528(5) . ? Dy1 O7 2.426(5) . ? Dy1 O8 2.353(5) . ? Dy2 Dy1 3.4649(7) 3_765 ? Dy2 Dy2 3.7969(9) 3_765 ? Dy2 N2 2.485(6) . ? Dy2 N4 2.844(8) . ? Dy2 O2 2.310(5) 3_765 ? Dy2 O4 2.312(5) . ? Dy2 O5 2.356(5) 3_765 ? Dy2 O7 2.342(5) 3_765 ? Dy2 O7 2.323(5) . ? Dy2 O9 2.417(6) . ? Dy2 O10 2.450(6) . ? N4 O9 1.255(10) . ? N4 O10 1.239(9) . ? N4 O11 1.217(10) . ? O2 Dy2 2.310(5) 3_765 ? O5 Dy2 2.356(5) 3_765 ? O7 Dy2 2.342(5) 3_765 ?