#------------------------------------------------------------------------------ #$Date: 2026-09-24 08:21:37 +0100 (Thu, 24 Sep 2026) $ #$Revision: 306904 $ #$URL: svn://www.crystallography.net/cod/cif/4/51/95/4519544.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_4519544 loop_ _publ_author_name 'Karim, Suhana' 'Adhikary, Amit' 'Ahmed, Md Estak' 'Samanta, Debabrata' 'Das, Debasis' _publ_section_title ; Atmospheric-Water-Induced Reversible Structural Transformation of a Two-Dimensional Ni(II)-Based Ferromagnetic MOF: A Highly Efficient Water Oxidation Electrocatalyst and Colorimetric Water Sensor ; _journal_issue 50 _journal_name_full 'ACS Sustainable Chemistry & Engineering' _journal_page_first 16657 _journal_page_last 16669 _journal_paper_doi 10.1021/acssuschemeng.2c04543 _journal_volume 10 _journal_year 2022 _chemical_formula_sum 'C30 H50 Cl4 N8 Ni3 O10' _chemical_formula_weight 1000.71 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2016/6 _cell_angle_alpha 90 _cell_angle_beta 90.441(3) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 9.3374(8) _cell_length_b 19.1301(17) _cell_length_c 12.3287(11) _cell_measurement_reflns_used 5478 _cell_measurement_temperature 149(2) _cell_measurement_theta_max 28.32 _cell_measurement_theta_min 2.51 _cell_volume 2202.2(3) _computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 149(2) _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.844 _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 0.0813 _diffrn_reflns_av_unetI/netI 0.0676 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.844 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 30 _diffrn_reflns_limit_k_min -30 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 31765 _diffrn_reflns_point_group_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.844 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 34.603 _diffrn_reflns_theta_min 2.427 _exptl_absorpt_coefficient_mu 1.569 _exptl_crystal_colour Green _exptl_crystal_density_diffrn 1.509 _exptl_crystal_description Block _exptl_crystal_F_000 1036 _refine_diff_density_max 0.994 _refine_diff_density_min -1.429 _refine_diff_density_rms 0.190 _refine_ls_extinction_coef 0.026(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2016/6 (Sheldrick 2016)' _refine_ls_goodness_of_fit_ref 1.149 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 274 _refine_ls_number_reflns 7927 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.149 _refine_ls_R_factor_all 0.1085 _refine_ls_R_factor_gt 0.0755 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0460P)^2^+14.6334P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1867 _refine_ls_wR_factor_ref 0.2137 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 5855 _reflns_number_total 7927 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file 2022_Karim_16657_sc2c04543_si_003.cif _cod_data_source_block MOF_1_LT _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 4519544 _shelx_shelxl_version_number 2016/6 _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_res_file ; TITL NW_a.res in P2(1)/c NW.res created by SHELXL-2016/6 at 17:10:56 on 18-Apr-2021 CELL 0.71073 9.3374 19.1301 12.3287 90.000 90.441 90.000 ZERR 2.000 0.0008 0.0017 0.0011 0.000 0.003 0.000 LATT 1 SYMM -X, 1/2+Y, 1/2-Z SFAC C H N Ni O Cl UNIT 60 100 16 6 20 8 L.S. 60 ACTA BOND $H FMAP 2 PLAN 20 TEMP -124.020 WGHT 0.046000 14.633400 EXTI 0.025807 FVAR 0.65501 MOLE 1 NI1 4 0.000000 0.500000 0.500000 10.50000 0.02863 0.01410 = 0.01912 0.00039 -0.00208 0.00369 NI2 4 0.188271 0.420520 0.694033 11.00000 0.02968 0.01381 = 0.01919 0.00015 -0.00239 0.00216 CL2 6 -0.061227 0.450014 0.676099 11.00000 0.03187 0.02434 = 0.02271 0.00367 0.00167 0.00528 CL1 6 0.240739 0.513022 0.570948 11.00000 0.02976 0.02261 = 0.02992 0.00682 -0.00414 -0.00235 O1 5 0.175998 0.351339 0.571599 11.00000 0.03569 0.01800 = 0.02171 -0.00305 -0.00459 0.00643 O2 5 0.040418 0.401807 0.440772 11.00000 0.03830 0.01640 = 0.02233 -0.00288 -0.00439 0.00805 O4 5 0.211930 0.479550 0.832551 11.00000 0.04842 0.02187 = 0.02620 -0.00460 -0.00357 0.00195 O3 5 0.402866 0.394523 0.710364 11.00000 0.02749 0.03278 = 0.02879 0.00216 -0.00262 0.00229 N1 3 0.149982 0.164591 0.295488 11.00000 0.02869 0.01728 = 0.02334 -0.00128 -0.00363 -0.00136 C6 1 0.110667 0.352975 0.482521 11.00000 0.02823 0.01365 = 0.02154 -0.00162 -0.00101 -0.00006 N3 3 0.592487 0.340183 0.637580 11.00000 0.03052 0.03443 = 0.05400 0.00944 0.00447 0.00475 C5 1 0.045366 0.210421 0.274479 11.00000 0.02759 0.01991 = 0.02731 -0.00501 -0.00487 -0.00096 AFIX 43 H5 2 -0.019297 0.200685 0.216560 11.00000 -1.20000 AFIX 0 C1 1 0.239369 0.178534 0.377673 11.00000 0.03692 0.01679 = 0.02530 -0.00140 -0.00678 0.00604 AFIX 43 H1 2 0.313737 0.146158 0.393650 11.00000 -1.20000 AFIX 0 C4 1 0.026760 0.271501 0.333228 11.00000 0.02925 0.02053 = 0.02558 -0.00306 -0.00572 0.00330 AFIX 43 H4 2 -0.049211 0.302724 0.316053 11.00000 -1.20000 AFIX 0 N2 3 0.145401 0.568803 0.940096 11.00000 0.07388 0.03936 = 0.03947 -0.01609 0.01707 -0.00797 C3 1 0.121024 0.286092 0.417372 11.00000 0.02866 0.01608 = 0.02206 -0.00245 -0.00104 -0.00008 C9 1 0.475100 0.378035 0.631139 11.00000 0.03202 0.02383 = 0.03520 0.00391 -0.00210 0.00197 AFIX 43 H9 2 0.444313 0.393517 0.561555 11.00000 -1.20000 AFIX 0 C12 1 0.149551 0.535010 0.847302 11.00000 0.04597 0.02713 = 0.03580 -0.00811 0.00157 -0.00098 AFIX 43 H12 2 0.100464 0.555134 0.787178 11.00000 -1.20000 AFIX 0 C2 1 0.228255 0.238301 0.440734 11.00000 0.03270 0.02108 = 0.02251 -0.00393 -0.00814 0.00173 AFIX 43 H2 2 0.293243 0.246325 0.499080 11.00000 -1.20000 AFIX 0 C7 1 0.674350 0.322315 0.542067 11.00000 0.05042 0.03609 = 0.06898 0.00180 0.02091 0.00449 AFIX 137 H7A 2 0.630019 0.343881 0.478000 11.00000 -1.50000 H7B 2 0.675742 0.271418 0.533110 11.00000 -1.50000 H7C 2 0.772627 0.339566 0.550523 11.00000 -1.50000 AFIX 0 C8 1 0.646824 0.316725 0.741764 11.00000 0.04285 0.08972 = 0.06933 0.03193 0.00358 0.02582 AFIX 137 H8A 2 0.737465 0.340489 0.757991 11.00000 -1.50000 H8B 2 0.662715 0.266109 0.739539 11.00000 -1.50000 H8C 2 0.577049 0.327708 0.798240 11.00000 -1.50000 AFIX 0 N4 3 0.584125 0.600746 0.790287 11.00000 0.08167 0.06542 = 0.10235 -0.01317 -0.01678 -0.02921 C11 1 0.079877 0.637157 0.950918 11.00000 0.10038 0.06260 = 0.09201 -0.04435 0.01350 0.01655 AFIX 137 H11A 2 0.021874 0.647233 0.886203 11.00000 -1.50000 H11B 2 0.154817 0.672707 0.958739 11.00000 -1.50000 H11C 2 0.018662 0.637721 1.015125 11.00000 -1.50000 AFIX 0 C10 1 0.210293 0.540495 1.035141 11.00000 0.16382 0.06950 = 0.03571 -0.01823 -0.00620 -0.00201 AFIX 137 H10A 2 0.213263 0.489417 1.029503 11.00000 -1.50000 H10B 2 0.154327 0.553905 1.098760 11.00000 -1.50000 H10C 2 0.308004 0.558656 1.042655 11.00000 -1.50000 AFIX 0 O5 5 0.476201 0.648226 0.939131 11.00000 0.09439 0.16956 = 0.26219 -0.07913 -0.00081 -0.00075 C13 1 0.598761 0.550481 0.704552 11.00000 0.05587 0.10205 = 0.19061 -0.07069 -0.02129 0.01436 AFIX 137 H13A 2 0.614996 0.504019 0.735789 11.00000 -1.50000 H13B 2 0.680211 0.563272 0.658989 11.00000 -1.50000 H13C 2 0.511065 0.549854 0.660379 11.00000 -1.50000 AFIX 0 C14A 1 0.626212 0.671122 0.785165 10.50000 0.10332 0.09795 = 0.12955 -0.00560 0.01863 -0.03809 C15A 1 0.497474 0.598943 0.885306 10.50000 0.02550 0.05673 = 0.18330 -0.05370 0.02797 -0.00961 C14B 1 0.734124 0.627027 0.816020 10.50000 0.06102 0.10834 = 0.05422 -0.02301 0.00724 -0.04739 C15B 1 0.409318 0.636708 0.802775 10.50000 0.44079 0.25649 = 0.18722 0.09588 -0.03448 -0.27077 HKLF 4 REM NW_a.res in P2(1)/c REM R1 = 0.0755 for 5855 Fo > 4sig(Fo) and 0.1085 for all 7927 data REM 274 parameters refined using 0 restraints END WGHT 0.0462 14.7070 REM Highest difference peak 0.994, deepest hole -1.429, 1-sigma level 0.190 Q1 1 0.1884 0.5798 0.6965 11.00000 0.05 0.99 Q2 1 0.1720 0.4988 0.5808 11.00000 0.05 0.93 Q3 1 0.3793 0.4999 0.8862 11.00000 0.05 0.90 Q4 1 0.1468 0.5662 0.5634 11.00000 0.05 0.87 Q5 1 0.4582 0.6490 0.9647 11.00000 0.05 0.85 Q6 1 0.0409 0.4381 0.7162 11.00000 0.05 0.85 Q7 1 0.2354 0.4661 0.5223 11.00000 0.05 0.84 Q8 1 0.4826 0.6204 0.8197 11.00000 0.05 0.82 Q9 1 0.4386 0.4153 0.7655 11.00000 0.05 0.80 Q10 1 0.0061 0.3410 0.5015 11.00000 0.05 0.80 Q11 1 0.8700 0.4206 0.5454 11.00000 0.05 0.79 Q12 1 0.4004 0.6107 0.7690 11.00000 0.05 0.79 Q13 1 0.4200 0.4474 0.7138 11.00000 0.05 0.79 Q14 1 0.0217 0.5020 0.5756 11.00000 0.05 0.78 Q15 1 0.1043 0.4177 0.6733 11.00000 0.05 0.76 Q16 1 0.0028 0.4640 0.5009 11.00000 0.05 0.74 Q17 1 0.1589 0.4206 0.6196 11.00000 0.05 0.73 Q18 1 0.8284 0.3856 0.5216 11.00000 0.05 0.72 Q19 1 0.3512 0.6669 0.8177 11.00000 0.05 0.71 Q20 1 0.3331 0.6798 0.7833 11.00000 0.05 0.70 ; _shelx_res_checksum 71118 _shelx_hkl_file ; 2 0 0 66.89 8.00 2 0 0 61.79 8.10 3 0 0 2274.27 182.98 3 0 0 2190.58 181.78 -4 0 0 780.02 72.19 4 0 0 897.91 73.99 -5 0 0 9025.50 680.93 -5 0 0 9264.27 682.43 5 0 0 7378.06 683.23 5 0 0 8369.46 685.83 -6 0 0 278.17 26.80 -6 0 0 303.47 28.60 6 0 0 293.47 30.70 6 0 0 279.97 32.00 -7 0 0 277.17 25.30 -7 0 0 230.98 25.80 -8 0 0 39.60 8.30 8 0 0 42.70 11.70 -9 0 0 31.20 7.90 9 0 0 47.50 13.80 -10 0 0 20.90 6.40 10 0 0 21.00 10.40 -11 0 0 4.30 5.00 11 0 0 9.30 11.40 -12 0 0 147.09 13.00 12 0 0 123.39 22.70 13 0 0 8.60 8.10 14 0 1 -13.20 8.90 13 0 1 3.40 5.40 11 0 1 -2.90 8.30 10 0 1 -6.50 5.50 -10 0 -1 -3.20 2.30 9 0 1 0.90 5.50 -9 0 -1 -1.70 3.30 8 0 1 1.10 5.00 -8 0 -1 -7.10 3.00 7 0 1 2.70 5.80 -7 0 -1 3.30 4.00 -7 0 -1 1.30 2.90 6 0 1 2.70 4.20 6 0 1 2.20 4.90 -6 0 -1 -0.40 3.00 -6 0 -1 1.10 2.40 5 0 1 15.30 6.40 5 0 1 -0.80 4.10 -5 0 -1 -3.60 2.10 -5 0 -1 1.60 2.80 4 0 1 1.60 3.70 4 0 1 -1.40 4.20 4 0 1 12.10 4.50 -4 0 -1 3.00 2.70 -4 0 -1 -3.20 3.50 3 0 1 0.50 1.60 3 0 1 2.00 2.40 3 0 1 -0.20 2.60 -3 0 -1 4.70 2.10 -3 0 -1 1.50 2.40 2 0 1 5.30 2.70 2 0 1 0.40 1.60 2 0 1 -0.20 1.20 -2 0 -1 1.20 1.70 -2 0 -1 3.00 1.50 1 0 1 0.00 0.90 1 0 1 1.80 0.80 -1 0 -1 4.30 1.10 -1 0 1 4.60 1.40 -1 0 1 1.00 0.60 1 0 -1 1.10 0.90 1 0 -1 0.70 0.60 -2 0 1 1.10 1.80 -2 0 1 1.50 1.40 2 0 -1 6.50 2.20 2 0 -1 2.30 1.90 3 0 -1 18.80 4.10 3 0 -1 14.60 4.70 -4 0 1 -0.60 2.60 -4 0 1 -2.00 3.20 -4 0 1 1.40 1.90 4 0 -1 10.70 4.90 4 0 -1 7.30 3.70 -5 0 1 -0.90 2.70 -5 0 1 1.00 3.60 -5 0 1 -0.80 2.60 -5 0 1 -0.50 2.10 5 0 -1 2.10 2.90 5 0 -1 13.70 6.10 -6 0 1 -3.50 3.80 -6 0 1 1.10 2.90 -6 0 1 1.40 2.90 -6 0 1 -5.20 2.60 6 0 -1 -2.70 5.10 6 0 -1 2.50 3.70 -7 0 1 0.90 4.00 -7 0 1 -6.30 3.50 -7 0 1 -2.00 3.10 7 0 -1 -3.60 3.70 -8 0 1 -1.00 4.60 8 0 -1 1.10 6.50 -9 0 1 -4.10 4.40 9 0 -1 -5.30 7.50 -10 0 1 -10.70 4.50 10 0 -1 -5.70 6.50 -11 0 1 3.00 2.80 11 0 -1 -12.20 5.80 12 0 -1 -4.00 7.00 13 0 -1 4.20 5.70 13 0 2 -10.10 8.00 10 0 2 134.39 25.30 -10 0 -2 160.08 15.50 9 0 2 1999.50 183.48 -9 0 -2 2258.77 174.18 8 0 2 4103.19 317.47 -8 0 -2 3563.84 306.77 7 0 2 302.67 36.00 -7 0 -2 307.87 27.30 -7 0 -2 296.17 30.30 6 0 2 3.60 4.40 6 0 2 6.30 6.20 -6 0 -2 14.10 3.20 -6 0 -2 4.00 3.30 5 0 2 224.58 23.70 5 0 2 216.88 27.60 -5 0 -2 249.88 24.20 -5 0 -2 279.67 21.90 4 0 2 6761.72 545.15 3 0 2 4271.57 345.17 2 0 2 1169.18 85.69 2 0 2 913.91 87.89 -2 0 -2 1059.59 85.79 0 0 2 508.65 45.10 0 0 2 594.74 45.70 -1 0 2 1700.73 145.99 -1 0 2 2030.20 147.29 1 0 -2 1743.33 147.19 -2 0 2 790.02 61.59 -2 0 2 766.42 59.39 2 0 -2 636.54 59.19 2 0 -2 721.73 61.19 -3 0 2 2956.80 252.37 3 0 -2 3409.86 254.97 3 0 -2 3053.29 252.17 -4 0 2 74.79 10.90 -4 0 2 68.79 12.90 -4 0 2 113.99 12.30 4 0 -2 130.09 14.80 -5 0 2 2097.39 190.48 -5 0 2 2340.97 190.58 5 0 -2 2580.84 195.08 -6 0 2 65.99 12.10 -6 0 2 100.59 12.40 -6 0 2 88.79 12.60 6 0 -2 81.29 15.30 -7 0 2 543.65 51.99 -8 0 2 1427.26 128.59 8 0 -2 1662.33 135.59 -9 0 2 709.83 61.89 9 0 -2 635.54 64.49 -10 0 2 121.29 17.80 10 0 -2 123.89 21.40 -11 0 2 11.40 5.40 11 0 -2 -8.80 7.40 -12 0 2 524.25 47.60 13 0 -2 513.75 50.59 12 0 3 -14.50 8.70 11 0 3 2.10 11.10 10 0 3 2.70 9.90 -10 0 -3 2.80 1.30 9 0 3 5.10 7.40 8 0 3 9.50 10.20 7 0 3 -0.40 8.30 -7 0 -3 0.40 3.90 -7 0 -3 0.30 2.10 6 0 3 13.20 7.50 6 0 3 0.10 2.90 6 0 3 3.00 3.70 -6 0 -3 0.90 1.50 -6 0 -3 -1.00 2.50 -6 0 -3 1.40 1.70 5 0 3 -2.20 2.20 5 0 3 0.60 5.00 5 0 3 0.80 2.80 -5 0 -3 0.90 0.80 -5 0 -3 -1.90 2.00 -5 0 -3 0.70 0.80 4 0 3 0.00 2.20 4 0 3 0.20 4.50 4 0 3 2.60 2.80 -4 0 -3 0.60 2.30 3 0 3 1.70 1.80 3 0 3 4.00 4.20 -3 0 -3 0.20 1.70 2 0 3 1.00 0.70 2 0 3 -1.90 2.00 2 0 3 -0.10 1.30 -2 0 -3 -0.60 1.30 1 0 3 2.50 1.10 1 0 3 -0.30 1.20 -1 0 -3 0.70 1.10 0 0 3 0.40 1.10 0 0 3 0.00 0.90 -1 0 3 4.30 2.10 -1 0 3 0.50 1.70 1 0 -3 4.20 2.00 -2 0 3 3.50 2.40 -2 0 3 2.70 1.90 -2 0 3 2.10 1.30 2 0 -3 1.30 1.70 2 0 -3 0.30 1.10 -3 0 3 -0.50 1.40 -3 0 3 1.10 2.70 -3 0 3 2.00 2.40 3 0 -3 0.50 1.90 3 0 -3 -0.10 1.30 -4 0 3 0.90 4.40 -4 0 3 1.60 2.20 -4 0 3 0.90 2.90 4 0 -3 1.30 2.40 4 0 -3 1.00 3.70 -5 0 3 0.90 2.60 -5 0 3 -1.70 3.70 -5 0 3 -2.30 2.60 5 0 -3 0.80 4.30 5 0 -3 -2.00 2.60 -6 0 3 -5.10 3.20 -6 0 3 2.40 3.70 -6 0 3 -0.70 3.00 -6 0 3 -0.50 2.90 6 0 -3 -4.80 4.20 6 0 -3 0.60 3.80 -7 0 3 -4.00 3.60 -7 0 3 -1.90 4.30 -7 0 3 1.10 4.60 7 0 -3 0.60 4.30 -8 0 3 -4.10 5.40 -8 0 3 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1540.85 130.29 -4 0 4 1178.88 87.09 -4 0 4 995.40 87.99 -4 0 4 926.61 83.79 4 0 -4 911.01 83.69 4 0 -4 1118.69 88.69 -5 0 4 3895.21 310.47 5 0 -4 3751.72 312.97 -6 0 4 907.81 76.39 6 0 -4 848.72 74.69 6 0 -4 861.91 79.49 -7 0 4 1.10 4.80 -7 0 4 -0.30 5.30 -7 0 4 0.40 3.60 7 0 -4 7.90 5.30 -8 0 4 54.39 11.00 -8 0 4 12.10 8.70 8 0 -4 25.70 8.70 -9 0 4 1249.88 108.39 9 0 -4 1248.88 109.29 -10 0 4 246.28 30.20 10 0 -4 257.37 29.70 -11 0 4 43.40 11.60 11 0 -4 23.20 11.40 -12 0 4 229.18 29.40 12 0 -4 280.07 27.60 -14 0 4 299.77 24.50 13 0 5 -20.20 13.00 12 0 5 -17.80 11.40 11 0 5 12.50 9.30 10 0 5 7.90 7.90 9 0 5 -5.10 10.10 8 0 5 -3.70 3.70 8 0 5 -8.80 5.80 7 0 5 1.60 4.10 7 0 5 -0.70 7.30 6 0 5 5.50 4.50 6 0 5 -3.90 6.90 6 0 5 3.60 3.50 -6 0 -5 -6.80 2.90 5 0 5 0.10 3.20 5 0 5 2.40 7.60 -5 0 -5 -3.20 2.60 4 0 5 -0.90 4.60 4 0 5 -0.90 1.90 3 0 5 4.50 2.80 3 0 5 0.50 1.20 3 0 5 -1.90 3.40 -3 0 -5 -0.50 2.30 2 0 5 -0.60 3.20 2 0 5 1.40 1.90 2 0 5 0.80 1.20 -2 0 -5 -0.40 1.80 1 0 5 -0.20 1.80 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57.19 4 -4 12 179.38 25.30 4 -4 12 197.88 35.00 4 -4 12 193.58 21.10 3 -4 12 3.70 3.70 3 -4 12 0.10 5.70 3 -4 12 7.10 5.20 3 -4 12 0.90 5.40 2 -4 12 145.19 23.90 2 -4 12 163.98 20.00 2 -4 12 196.68 21.10 1 -4 12 803.22 70.29 1 -4 12 774.02 75.79 1 -4 12 779.52 67.19 0 -4 12 1717.43 131.89 0 -4 12 1551.94 135.99 0 -4 12 1521.35 141.29 -1 -4 12 13.10 5.20 -1 -4 12 24.50 10.90 -1 -4 12 17.30 7.40 -2 -4 12 29.80 7.10 -2 -4 12 23.40 9.10 -2 -4 12 42.20 13.50 -2 -4 12 27.10 8.50 -3 -4 12 207.28 25.60 -3 -4 12 195.68 28.70 -3 -4 12 173.78 24.00 -4 -4 12 264.77 31.70 -4 -4 12 297.17 31.90 -4 -4 12 240.18 35.50 -5 -4 12 28.50 10.60 -5 -4 12 16.40 6.80 -5 -4 12 23.20 9.10 -6 -4 12 9.70 7.20 -6 -4 12 27.80 10.10 -6 -4 12 0.80 4.70 -7 -4 12 21.10 8.70 -7 -4 12 12.40 7.90 -8 -4 12 24.60 11.60 -9 -4 12 35.90 14.00 10 -4 13 -23.30 10.70 9 -4 13 -4.20 9.10 8 -4 13 -18.10 15.50 7 -4 13 73.69 28.40 7 -4 13 144.89 23.00 6 -4 13 325.77 47.30 6 -4 13 250.17 36.20 5 -4 13 12.20 13.60 5 -4 13 -2.50 8.20 5 -4 13 9.70 4.10 4 -4 13 702.73 75.09 4 -4 13 619.24 62.29 4 -4 13 601.04 61.29 3 -4 13 332.67 36.90 3 -4 13 369.86 35.80 3 -4 13 333.37 48.10 3 -4 13 405.76 42.60 2 -4 13 75.39 17.30 2 -4 13 58.99 11.20 2 -4 13 45.40 8.30 1 -4 13 54.59 14.60 1 -4 13 63.49 12.10 1 -4 13 60.29 9.80 0 -4 13 550.74 58.69 0 -4 13 552.24 47.30 0 -4 13 534.45 52.59 -1 -4 13 2004.90 165.78 -1 -4 13 2089.49 171.88 -1 -4 13 2010.80 177.88 -2 -4 13 324.97 30.90 -3 -4 13 196.08 26.00 -3 -4 13 196.08 27.60 -4 -4 13 465.15 49.00 -4 -4 13 436.26 53.89 -4 -4 13 491.05 46.40 -5 -4 13 72.39 18.60 -5 -4 13 83.79 16.50 -6 -4 13 9.70 5.70 -6 -4 13 1.90 6.60 -7 -4 13 -6.90 7.30 -8 -4 13 24.00 12.50 -9 -4 13 81.49 28.10 9 -4 14 316.17 40.30 8 -4 14 372.96 40.90 8 -4 14 280.17 73.19 7 -4 14 -14.00 8.10 7 -4 14 26.00 13.10 6 -4 14 -4.90 14.30 6 -4 14 -7.30 7.80 5 -4 14 68.49 16.40 5 -4 14 88.29 26.80 5 -4 14 60.09 16.20 4 -4 14 777.52 89.29 4 -4 14 936.71 73.09 4 -4 14 722.73 77.49 4 -4 14 831.82 79.59 3 -4 14 139.49 18.90 3 -4 14 105.29 24.50 3 -4 14 134.99 18.20 2 -4 14 6.10 6.00 2 -4 14 3.80 10.90 2 -4 14 5.30 4.70 2 -4 14 7.90 3.70 1 -4 14 8.00 8.20 1 -4 14 8.70 6.60 1 -4 14 5.80 4.40 0 -4 14 78.89 19.00 0 -4 14 73.79 10.20 0 -4 14 83.89 15.20 -1 -4 14 123.79 23.80 -1 -4 14 93.19 12.10 -2 -4 14 -2.40 6.80 -2 -4 14 -1.60 5.70 -2 -4 14 2.10 3.50 -3 -4 14 4.40 7.00 -3 -4 14 -8.50 6.80 -3 -4 14 4.20 3.50 -4 -4 14 32.50 11.20 -4 -4 14 30.60 13.70 -5 -4 14 15.00 5.50 -5 -4 14 16.90 12.30 -5 -4 14 1.20 8.10 -6 -4 14 -2.00 7.80 -6 -4 14 -0.90 7.30 -7 -4 14 11.60 9.00 -8 -4 14 29.10 12.70 8 -4 15 120.39 22.70 7 -4 15 305.97 36.50 6 -4 15 39.40 13.00 6 -4 15 -2.20 11.70 6 -4 15 -7.90 19.60 5 -4 15 44.80 14.90 5 -4 15 44.00 23.10 4 -4 15 49.80 20.70 4 -4 15 107.39 14.40 4 -4 15 72.19 20.20 4 -4 15 92.19 18.90 3 -4 15 41.90 13.40 3 -4 15 35.70 10.60 3 -4 15 56.29 12.10 2 -4 15 214.18 24.70 2 -4 15 235.58 31.70 2 -4 15 147.79 32.90 2 -4 15 174.98 20.20 1 -4 15 18.40 7.20 1 -4 15 31.30 14.20 1 -4 15 11.00 4.60 0 -4 15 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5 16 96.29 24.10 3 5 16 66.29 22.60 3 5 16 110.89 16.90 4 5 16 105.99 27.90 4 5 16 104.39 25.40 5 5 16 -10.40 13.60 5 5 16 -18.30 12.30 6 5 16 50.69 20.80 6 5 16 69.09 25.90 7 5 16 -6.00 14.20 -8 5 15 59.89 20.20 -7 5 15 109.89 25.70 -6 5 15 -5.10 9.10 -6 5 15 -18.90 9.90 -5 5 15 -11.20 6.60 -5 5 15 -1.30 9.40 -4 5 15 3.70 9.10 -4 5 15 9.40 10.80 -3 5 15 76.49 18.60 -2 5 15 134.29 23.20 -2 5 15 111.39 24.00 -2 5 15 181.38 28.10 -2 5 15 153.08 16.10 -1 5 15 167.68 25.20 -1 5 15 145.19 27.50 -1 5 15 158.38 25.80 -1 5 15 172.98 21.30 0 5 15 -11.20 8.10 0 5 15 0.30 8.00 0 5 15 -6.90 8.80 1 5 15 -11.70 5.20 1 5 15 -3.40 8.60 1 5 15 -15.00 6.90 1 5 15 -4.40 8.80 2 5 15 -17.00 7.90 2 5 15 -6.40 6.40 2 5 15 -0.70 5.50 2 5 15 2.90 10.30 3 5 15 443.06 42.90 3 5 15 437.96 54.29 3 5 15 481.45 46.30 3 5 15 463.65 56.99 4 5 15 284.57 43.60 4 5 15 308.87 43.20 4 5 15 294.27 32.20 5 5 15 -14.20 9.80 5 5 15 -8.70 10.90 6 5 15 87.39 25.60 6 5 15 54.69 21.40 7 5 15 -17.70 12.10 7 5 15 -9.50 13.90 -9 5 14 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-2 24 -5 35.90 5.00 1 -24 5 193.58 32.10 1 -24 5 222.88 32.80 -1 24 -5 286.47 25.40 0 -24 5 184.18 30.10 0 -24 5 170.58 28.80 0 24 -5 209.78 20.10 -1 -24 5 33.30 9.50 -1 -24 5 15.00 11.60 -2 -24 5 158.88 44.80 -2 -24 5 161.48 24.10 2 24 -5 239.48 19.80 -3 -24 5 83.89 14.20 -4 -24 5 124.79 14.60 -5 -24 5 -17.70 7.40 -6 -24 5 450.65 40.40 -7 -24 5 395.86 33.10 4 -24 6 349.87 43.70 3 -24 6 42.90 15.50 2 -24 6 77.19 18.90 1 -24 6 8.00 6.40 0 -24 6 282.67 38.40 -1 -24 6 300.87 38.70 -2 -24 6 61.69 14.10 -2 -24 6 67.09 16.50 -3 -24 6 30.40 11.30 -3 -24 6 16.50 9.60 -4 -24 6 9.90 7.40 -5 -24 6 45.70 18.20 -6 -24 6 295.77 30.60 4 -24 7 199.88 34.50 3 -24 7 -11.70 7.50 2 -24 7 54.99 15.20 2 -24 7 61.09 16.40 1 -24 7 64.89 17.70 0 -24 7 -3.80 10.40 0 -24 7 4.40 10.80 -1 -24 7 50.29 16.80 -1 -24 7 18.60 14.60 -2 -24 7 75.59 19.60 -2 -24 7 63.49 17.70 -3 -24 7 323.87 34.70 -3 -24 7 207.58 36.90 -4 -24 7 45.20 12.70 -5 -24 7 147.59 22.60 -6 -24 7 108.89 14.00 3 -24 8 124.69 24.20 3 -24 8 91.69 22.50 2 -24 8 125.19 24.70 2 -24 8 86.09 21.10 1 -24 8 9.50 13.00 1 -24 8 15.90 8.40 0 -24 8 -14.50 7.90 0 -24 8 -6.80 9.00 -1 -24 8 20.90 11.50 -1 -24 8 27.80 15.10 -2 -24 8 215.88 35.20 -2 -24 8 307.37 38.90 -3 -24 8 299.67 37.70 -4 -24 8 244.08 29.10 -5 -24 8 143.69 19.20 1 -24 9 78.19 26.40 1 -24 9 44.60 24.60 0 -24 9 120.29 26.50 -1 -24 9 -10.10 9.80 -2 -24 9 194.98 34.30 -3 -24 9 48.40 14.70 2 25 10 68.19 19.00 3 25 9 25.90 14.90 2 25 8 12.90 13.60 3 25 8 15.70 14.30 -2 25 7 253.77 41.20 -1 25 7 201.88 37.90 0 25 7 65.39 22.20 1 25 7 46.70 21.20 2 25 7 -16.70 9.30 2 25 7 2.40 10.40 3 25 7 161.48 32.70 4 25 7 416.86 52.09 -4 25 6 27.80 14.40 -3 25 6 296.07 40.80 -2 25 6 89.09 21.80 0 25 6 0.10 11.10 2 25 6 18.40 10.10 2 25 6 20.70 9.50 3 25 6 123.39 28.10 4 25 6 186.78 33.80 -4 25 5 246.28 40.60 -3 25 5 7.70 14.00 -1 25 5 169.48 40.20 0 25 5 533.75 67.69 1 25 5 170.98 36.90 3 25 5 16.50 12.90 4 25 5 33.60 19.50 4 25 5 39.50 16.50 -5 25 4 -9.20 13.10 -4 25 4 33.20 17.60 -3 25 4 -19.60 12.90 -2 25 4 -5.30 10.40 -1 25 4 52.39 20.60 0 25 4 112.99 27.20 1 25 4 92.39 27.40 2 25 4 -16.20 11.40 3 25 4 9.60 10.40 3 25 4 5.00 17.20 4 25 4 -17.00 13.00 4 25 4 -8.80 10.00 5 25 4 10.00 17.00 5 25 4 2.50 11.60 -6 25 3 -10.00 11.60 -5 25 3 19.70 13.70 4 -25 -3 147.99 20.30 -4 25 3 143.39 31.30 3 -25 -3 670.43 66.19 -3 25 3 759.92 78.09 2 -25 -3 228.78 25.40 -2 25 3 207.18 37.00 -1 25 3 22.30 15.10 0 -25 -3 172.78 16.20 0 25 3 110.39 29.10 -1 -25 -3 278.97 22.90 1 25 3 177.88 38.90 -2 -25 -3 664.53 53.79 2 25 3 529.05 70.69 3 25 3 70.49 23.60 3 25 3 76.09 20.90 4 25 3 48.10 22.80 4 25 3 37.40 15.20 5 25 3 27.60 17.90 5 25 3 33.70 18.40 6 25 3 30.00 18.20 6 -25 -2 2.90 6.60 -6 25 2 -10.80 9.00 5 -25 -2 -6.30 8.40 -5 25 2 39.10 20.60 4 -25 -2 12.20 6.70 -4 25 2 -0.50 8.00 3 -25 -2 4.90 6.50 -3 25 2 -4.20 6.90 2 -25 -2 156.88 21.90 -2 25 2 202.38 32.60 1 -25 -2 47.10 10.80 -1 25 2 42.90 16.80 0 -25 -2 21.90 5.20 0 25 2 27.80 17.20 1 25 2 5.70 13.70 -2 -25 -2 161.78 14.30 2 25 2 96.19 24.30 3 25 2 227.08 35.00 4 25 2 43.70 13.30 4 25 2 -6.20 8.70 5 25 2 -0.70 12.20 5 25 2 35.20 13.20 6 25 2 116.29 20.50 -7 25 1 424.86 48.20 6 -25 -1 190.78 29.90 -6 25 1 173.58 30.50 5 -25 -1 4.40 7.20 -5 25 1 11.70 7.60 4 -25 -1 13.10 6.10 -4 25 1 -5.20 9.40 3 -25 -1 -1.80 2.40 2 -25 -1 441.76 46.20 -2 25 1 483.65 51.29 1 -25 -1 332.67 38.90 -1 25 1 463.35 47.70 0 -25 -1 75.59 10.60 0 25 1 89.69 15.50 -1 -25 -1 59.69 9.70 -2 -25 -1 50.49 5.80 2 25 1 46.70 11.80 4 25 1 352.86 45.70 4 25 1 311.47 47.90 5 25 1 389.36 56.09 5 25 1 449.36 48.60 6 25 1 121.19 18.90 7 25 1 135.09 21.90 -7 25 0 -3.10 8.40 6 -25 0 84.49 20.10 -6 25 0 81.89 19.40 -5 25 0 142.99 21.10 4 -25 0 3.10 5.80 3 -25 0 13.40 7.40 -3 25 0 3.90 5.60 2 -25 0 18.00 5.20 -2 25 0 5.30 6.30 1 -25 0 172.58 19.60 -1 25 0 109.89 20.60 0 25 0 7.20 5.40 -1 -25 0 137.09 16.90 1 25 0 145.59 21.40 -2 -25 0 22.70 4.00 5 25 0 96.99 24.60 5 25 0 96.19 23.30 -7 -25 0 6.80 7.70 7 25 0 -3.00 11.50 -7 25 -1 46.30 11.50 6 -25 1 21.90 12.90 -6 25 -1 31.60 7.10 5 -25 1 425.46 54.39 -5 25 -1 451.35 48.20 4 -25 1 411.56 46.00 -4 25 -1 354.76 41.10 3 -25 1 -0.60 6.70 -3 25 -1 18.50 5.20 2 -25 1 57.09 13.70 -2 25 -1 40.00 12.40 1 -25 1 65.89 13.40 -1 25 -1 68.59 15.40 0 -25 1 47.20 11.50 0 25 -1 46.80 12.50 -1 -25 1 331.47 40.90 1 25 -1 330.17 38.90 -2 -25 1 576.34 52.49 2 25 -1 518.55 56.89 -3 -25 1 -3.00 8.30 4 25 -1 84.69 14.60 -5 -25 1 -10.10 10.30 -7 -25 1 191.58 27.10 6 -25 2 -3.50 6.10 -6 25 -2 5.50 4.50 5 -25 2 -7.50 10.10 -5 25 -2 7.30 4.90 4 -25 2 0.10 11.40 3 -25 2 234.78 32.80 -3 25 -2 273.37 31.00 2 -25 2 156.48 20.70 -2 25 -2 126.49 18.50 1 -25 2 1.00 6.20 -1 25 -2 16.50 3.70 0 -25 2 24.30 10.20 -1 -25 2 33.20 11.80 -1 -25 2 49.50 13.20 -2 -25 2 196.18 32.50 -2 -25 2 235.28 27.50 2 25 -2 220.68 28.60 -3 -25 2 -3.60 7.60 -3 -25 2 10.60 6.70 -4 -25 2 -10.40 15.70 -6 -25 2 -8.60 8.60 -6 25 -3 86.89 8.70 -5 25 -3 121.89 12.70 -4 25 -3 87.89 10.10 3 -25 3 103.49 23.00 -3 25 -3 166.48 25.10 2 -25 3 685.73 69.39 -2 25 -3 708.73 64.89 1 -25 3 286.87 32.70 -1 25 -3 250.47 26.90 0 -25 3 178.78 25.90 0 25 -3 191.78 20.30 -1 -25 3 74.79 12.10 1 25 -3 103.09 10.10 -2 -25 3 231.18 29.90 2 25 -3 309.07 28.70 -3 -25 3 770.42 75.89 3 25 -3 876.11 76.79 -4 -25 3 211.88 21.50 -4 -25 3 178.98 32.10 4 25 -3 233.98 21.30 -5 -25 3 5.20 10.80 -6 -25 3 -11.80 11.80 7 25 -3 389.96 32.90 8 25 -3 537.05 45.70 5 -25 4 -11.70 10.60 4 -25 4 0.70 7.60 -4 25 -4 1.60 3.70 -3 25 -4 9.00 3.30 2 -25 4 -6.30 8.70 1 -25 4 116.49 24.40 -1 25 -4 162.38 15.40 0 -25 4 244.68 30.70 0 25 -4 232.88 22.70 -1 -25 4 90.49 15.60 1 25 -4 134.09 11.50 -2 -25 4 9.00 5.10 -2 -25 4 -7.30 7.90 -3 -25 4 -13.10 7.90 -3 -25 4 6.90 5.90 -4 -25 4 128.49 16.00 4 25 -4 168.18 15.00 -5 -25 4 -1.30 7.60 4 -25 5 34.10 16.80 3 -25 5 37.20 13.10 2 -25 5 -1.00 11.80 1 -25 5 206.18 33.70 1 -25 5 222.78 34.20 -1 25 -5 301.07 24.80 0 -25 5 590.54 60.19 0 -25 5 474.65 59.49 0 25 -5 605.84 50.49 -1 -25 5 257.47 35.00 1 25 -5 353.76 30.00 -2 -25 5 81.19 14.00 -2 -25 5 57.79 17.70 -3 -25 5 73.99 12.40 -4 -25 5 256.77 26.50 -5 -25 5 594.44 55.39 -6 -25 5 284.87 24.80 3 -25 6 109.39 23.80 2 -25 6 -0.30 9.60 2 -25 6 2.60 10.50 1 -25 6 -9.20 7.00 0 -25 6 31.80 14.00 0 -25 6 15.60 14.50 -1 -25 6 9.50 7.90 -1 -25 6 -5.90 7.00 -2 -25 6 100.59 20.00 -2 -25 6 88.49 20.70 -3 -25 6 367.56 37.70 -3 -25 6 268.77 40.60 -4 -25 6 147.09 21.20 2 -25 7 -11.50 7.60 2 -25 7 4.10 9.60 1 -25 7 62.09 18.00 1 -25 7 62.19 16.90 0 -25 7 80.19 20.00 0 -25 7 71.29 20.70 -1 -25 7 269.67 38.90 -1 -25 7 264.07 42.10 -2 -25 7 225.38 35.30 -3 -25 7 59.39 14.50 1 -25 8 293.67 42.40 0 -25 8 140.49 27.70 -1 -25 8 -19.00 9.10 -2 -25 8 0.30 5.70 -4 -25 8 7.70 7.90 3 26 8 392.96 69.79 3 26 7 46.40 17.90 -2 26 6 97.49 26.50 -1 26 6 446.66 60.89 0 26 6 389.06 56.39 1 26 6 -17.70 14.50 2 26 6 -1.20 17.30 3 26 6 3.80 9.60 -3 26 5 42.10 21.90 -2 26 5 -11.40 10.80 -1 26 5 15.60 11.90 0 26 5 40.80 16.80 1 26 5 3.50 12.10 3 26 5 105.39 26.00 3 26 5 76.59 29.30 -4 26 4 382.36 53.29 -3 26 4 121.39 29.40 -2 26 4 13.70 20.30 2 26 4 50.19 29.20 3 26 4 71.29 27.90 3 26 4 49.40 17.80 4 26 4 12.70 14.10 4 26 4 4.40 12.90 -5 26 3 57.89 16.10 -4 26 3 190.28 36.10 3 -26 -3 100.69 12.20 2 -26 -3 167.18 18.00 -1 26 3 -11.90 8.80 0 26 3 23.90 15.50 1 26 3 71.39 24.30 2 26 3 34.80 19.00 4 26 3 -7.00 13.50 4 26 3 -7.70 8.70 5 26 3 -5.30 8.80 -6 26 2 5.00 7.50 -5 26 2 2.20 10.30 3 -26 -2 190.08 24.20 -3 26 2 232.78 30.10 2 -26 -2 614.54 61.39 -2 26 2 727.13 71.69 1 -26 -2 205.98 23.30 -1 26 2 199.88 32.70 0 26 2 10.90 10.30 1 26 2 10.60 12.30 3 26 2 263.77 36.00 4 26 2 68.89 22.20 5 26 2 17.10 5.40 6 26 2 109.59 19.00 -6 26 1 40.60 13.60 5 -26 -1 42.60 11.40 -5 26 1 20.90 11.10 4 -26 -1 -5.10 3.80 -4 26 1 0.00 4.70 3 -26 -1 12.60 7.80 -3 26 1 -0.10 7.10 2 -26 -1 185.88 23.20 -2 26 1 136.19 23.10 1 -26 -1 432.76 43.80 -1 26 1 436.06 48.40 0 -26 -1 218.48 23.30 0 26 1 153.68 24.60 1 26 1 8.00 6.80 3 26 1 39.10 10.60 4 26 1 130.19 15.60 -6 26 0 419.56 47.90 5 -26 0 338.87 42.00 -5 26 0 407.16 44.90 -4 26 0 1.50 5.50 3 -26 0 48.60 13.70 -3 26 0 44.90 10.10 2 -26 0 -2.40 6.60 -2 26 0 8.40 7.60 1 -26 0 79.79 14.20 -1 26 0 92.19 16.40 0 -26 0 177.48 21.90 0 26 0 198.18 25.80 1 26 0 99.19 18.10 -3 -26 0 84.89 7.70 5 26 0 358.16 42.30 6 26 0 427.16 46.40 5 -26 1 13.10 11.30 -5 26 -1 3.60 6.60 -4 26 -1 19.00 5.90 3 -26 1 34.50 13.30 -3 26 -1 69.69 10.40 2 -26 1 -9.70 5.20 -2 26 -1 6.50 5.10 1 -26 1 -4.20 5.10 0 -26 1 171.98 24.60 0 26 -1 179.98 23.70 -1 -26 1 488.15 46.90 1 26 -1 455.45 49.30 -2 -26 1 208.38 21.20 2 26 -1 211.28 23.80 -6 -26 1 -1.70 11.90 5 -26 2 -12.40 8.80 -5 26 -2 -3.20 3.10 -4 26 -2 130.59 15.40 3 -26 2 213.28 31.00 -3 26 -2 278.77 27.80 2 -26 2 22.30 10.20 -2 26 -2 27.00 7.30 1 -26 2 25.80 10.20 -1 26 -2 25.40 8.60 0 -26 2 10.70 6.40 0 26 -2 9.80 4.80 -1 -26 2 239.58 30.30 1 26 -2 305.27 31.50 -2 -26 2 663.03 75.69 -2 -26 2 783.42 68.79 2 26 -2 731.53 70.09 -3 -26 2 267.97 28.40 3 26 -2 344.67 29.80 -4 -26 2 7.50 3.50 -4 -26 2 0.10 9.90 7 26 -2 402.36 35.90 4 -26 3 -8.80 9.70 -3 26 -3 200.58 21.10 2 -26 3 47.00 12.10 -2 26 -3 62.59 8.20 -1 26 -3 133.69 14.30 0 -26 3 78.69 13.20 0 26 -3 103.69 10.60 -1 -26 3 -3.80 9.40 -1 -26 3 10.20 4.50 -2 -26 3 191.58 21.50 -3 -26 3 83.99 9.80 -4 -26 3 350.36 32.30 4 26 -3 353.46 33.40 -5 -26 3 195.38 16.60 4 -26 4 -4.00 10.20 3 -26 4 42.90 15.90 -2 26 -4 120.19 11.00 1 -26 4 760.12 66.59 -1 26 -4 593.84 57.49 0 -26 4 138.09 21.30 0 26 -4 160.18 14.60 -1 -26 4 15.00 5.90 -1 -26 4 17.40 13.30 -2 -26 4 113.29 16.10 -3 -26 4 126.99 28.70 -3 -26 4 194.58 22.30 -4 -26 4 552.84 51.39 3 -26 5 77.99 21.70 2 -26 5 -11.90 9.30 1 -26 5 -14.20 5.90 0 -26 5 37.70 14.00 -1 -26 5 6.50 8.60 -1 -26 5 16.00 7.60 -2 -26 5 -18.40 10.40 -2 -26 5 4.30 5.70 -3 -26 5 112.99 15.30 -4 -26 5 165.98 16.80 2 -26 6 -5.80 11.60 1 -26 6 -3.70 8.50 0 -26 6 438.26 50.49 -1 -26 6 427.46 51.49 -3 -26 6 5.50 15.10 -4 -26 6 21.00 8.00 -5 -26 6 209.98 21.20 -6 -26 6 543.75 44.70 1 -26 7 356.06 51.19 0 -26 7 166.48 28.30 -1 -26 7 14.20 7.40 -2 -26 7 6.10 6.10 -1 27 5 -10.60 11.30 0 27 5 479.25 63.29 1 27 5 159.68 38.80 -3 27 4 115.29 28.50 -2 27 4 74.39 21.20 -1 27 4 66.19 22.10 0 27 4 299.37 46.30 2 27 4 195.18 37.60 3 27 4 -5.30 16.10 -4 27 3 40.80 13.50 -3 27 3 410.06 49.50 2 -27 -3 264.67 23.00 -2 27 3 200.88 36.30 -1 27 3 -19.00 12.00 1 27 3 111.29 30.60 2 27 3 216.58 35.40 3 27 3 108.29 20.90 5 -27 -2 5.70 6.70 -5 27 2 9.00 7.40 -4 27 2 208.38 29.00 3 -27 -2 247.78 26.10 -3 27 2 215.28 32.40 2 -27 -2 135.79 13.50 1 -27 -2 249.58 24.10 -1 27 2 247.78 33.50 0 -27 -2 135.19 14.70 0 27 2 129.39 21.70 2 27 2 40.30 11.40 4 27 2 124.09 17.00 5 27 2 136.39 21.60 -5 27 1 31.20 11.00 4 -27 -1 -5.20 4.70 -4 27 1 10.40 5.80 3 -27 -1 14.50 7.00 -3 27 1 -8.90 6.70 2 -27 -1 65.19 11.50 -2 27 1 54.69 18.50 1 -27 -1 219.08 22.70 -1 27 1 218.28 30.50 0 -27 -1 119.19 11.70 0 27 1 93.39 18.20 1 27 1 5.00 6.10 2 27 1 3.80 9.00 3 27 1 -9.00 4.70 4 27 1 190.98 24.60 5 27 1 178.48 29.00 -6 27 0 -6.30 5.40 5 -27 0 331.37 38.50 -5 27 0 296.27 36.90 4 -27 0 226.88 27.50 -4 27 0 225.78 28.80 3 -27 0 18.20 5.30 -3 27 0 12.20 5.70 2 -27 0 12.90 7.00 -2 27 0 11.50 6.60 1 -27 0 0.00 2.80 -1 27 0 0.20 6.90 0 27 0 21.50 7.50 4 27 0 304.07 34.70 5 27 0 274.37 35.70 -6 27 -1 70.39 10.30 4 -27 1 34.60 8.80 -3 27 -1 4.10 5.50 -2 27 -1 -4.40 5.50 1 -27 1 2.30 4.50 0 -27 1 94.09 12.40 0 27 -1 90.29 13.70 -1 -27 1 256.07 25.80 1 27 -1 270.37 30.00 -2 -27 1 135.19 14.00 2 27 -1 132.69 17.90 5 27 -1 122.89 13.60 6 27 -1 406.36 36.30 -5 27 -2 22.80 6.50 3 -27 2 -1.20 4.50 2 -27 2 42.40 9.60 -2 27 -2 69.59 7.50 1 -27 2 0.80 5.20 0 -27 2 117.59 19.20 0 27 -2 159.18 14.30 -1 -27 2 288.27 34.40 1 27 -2 349.37 32.30 -2 -27 2 150.68 17.30 2 27 -2 199.68 16.70 -3 -27 2 281.47 31.40 3 27 -2 381.16 31.20 4 27 -2 243.78 21.40 3 -27 3 28.50 9.20 2 -27 3 236.58 32.20 -2 27 -3 268.97 24.10 1 -27 3 217.58 25.40 -1 27 -3 191.48 19.60 0 -27 3 23.20 6.10 2 27 -3 441.26 38.20 3 27 -3 680.43 57.39 -4 -27 3 260.77 21.60 3 -27 4 13.90 10.30 2 -27 4 212.28 28.20 1 -27 4 0.30 6.30 0 -27 4 374.06 43.50 -1 -27 4 113.89 18.60 -2 -27 4 160.58 20.70 -3 -27 4 237.38 22.90 2 -27 5 -7.50 5.90 1 -27 5 260.07 34.00 0 -27 5 512.85 54.09 -1 -27 5 19.30 9.50 -5 -27 5 344.57 29.20 0 -27 6 20.00 8.60 -2 -27 6 0.00 7.90 -3 -27 6 8.00 5.70 -2 28 3 314.37 39.60 -1 28 3 188.78 24.00 0 28 3 47.80 10.30 1 28 3 173.98 22.60 2 28 3 22.90 6.90 3 -28 -2 185.88 19.10 2 -28 -2 196.38 16.60 -1 28 2 68.99 16.90 0 28 2 106.69 20.60 1 28 2 208.28 30.70 2 28 2 141.39 24.80 4 -28 -1 65.99 10.20 -4 28 1 58.59 12.20 -3 28 1 65.89 15.70 2 -28 -1 116.69 12.60 -1 28 1 19.60 10.70 0 -28 -1 191.28 16.60 0 28 1 131.39 24.60 1 28 1 53.99 17.30 3 28 1 144.09 20.30 4 28 1 185.98 23.20 -5 28 0 64.39 8.60 4 -28 0 16.90 6.50 -4 28 0 11.50 5.80 3 -28 0 5.10 4.60 2 -28 0 -9.60 6.10 -2 28 0 8.30 8.00 1 -28 0 67.19 8.20 1 28 0 24.20 9.40 2 28 0 20.20 7.90 -5 28 -1 3.50 4.20 3 -28 1 81.99 19.10 -3 28 -1 118.89 11.90 -2 28 -1 -2.50 3.00 1 -28 1 58.49 13.90 0 -28 1 183.58 21.80 0 28 -1 247.48 22.20 -2 -28 1 185.28 16.90 2 28 -1 189.58 16.90 3 28 -1 248.48 22.20 5 28 -1 569.94 49.60 3 -28 2 -3.00 7.50 2 -28 2 70.89 15.10 -1 28 -2 186.18 17.90 0 -28 2 62.49 12.90 -1 -28 2 92.89 10.90 2 28 -2 325.07 27.00 3 28 -2 524.95 42.50 2 -28 3 30.60 9.80 1 -28 3 125.49 20.80 0 -28 3 17.00 10.60 -1 -28 3 225.48 23.40 -2 -28 3 403.96 38.50 1 -28 4 317.27 36.70 0 -28 4 91.59 19.20 -1 -28 4 0.20 6.20 0 -28 5 44.60 7.80 -1 -28 5 170.08 20.40 -2 -28 5 31.90 6.50 -3 -28 5 211.78 20.10 -4 -28 5 338.17 27.80 3 -29 -2 248.68 22.40 -1 29 2 260.27 33.90 0 29 2 106.69 18.50 3 -29 -1 438.26 38.20 -3 29 1 373.16 44.90 -1 29 1 -11.30 5.60 2 29 1 159.38 19.50 -4 29 0 173.88 19.50 3 -29 0 -0.50 3.80 2 -29 0 81.69 9.50 1 -29 0 76.89 8.40 2 29 0 199.98 18.40 4 29 0 337.87 29.80 2 -29 1 96.79 13.20 0 -29 1 1.70 4.40 2 29 -1 280.47 24.70 4 29 -1 495.65 41.60 2 -29 2 9.90 5.30 1 -29 2 2.40 4.10 -1 -29 2 245.48 23.40 1 -29 3 202.68 24.80 0 -29 3 282.27 29.50 -1 -29 3 118.39 13.10 0 -29 4 364.46 41.90 -1 -29 4 133.69 12.70 2 -30 0 360.96 30.00 -2 30 0 320.67 31.50 2 30 0 502.85 43.20 0 -30 2 245.78 21.00 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 46455 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 Ni1 Ni 0.000000 0.500000 0.500000 0.02063(18) Uani 1 2 d S . P . . Ni2 Ni 0.18827(6) 0.42052(3) 0.69403(4) 0.02091(16) Uani 1 1 d . . . . . Cl2 Cl -0.06123(12) 0.45001(5) 0.67610(8) 0.0263(2) Uani 1 1 d . . . . . Cl1 Cl 0.24074(12) 0.51302(5) 0.57095(9) 0.0275(2) Uani 1 1 d . . . . . O1 O 0.1760(4) 0.35134(15) 0.5716(2) 0.0252(6) Uani 1 1 d . . . . . O2 O 0.0404(4) 0.40181(15) 0.4408(2) 0.0257(6) Uani 1 1 d . . . . . O4 O 0.2119(4) 0.47955(17) 0.8326(3) 0.0322(7) Uani 1 1 d . . . . . O3 O 0.4029(4) 0.39452(18) 0.7104(3) 0.0297(7) Uani 1 1 d . . . . . N1 N 0.1500(4) 0.16459(18) 0.2955(3) 0.0231(7) Uani 1 1 d . . . . . C6 C 0.1107(5) 0.35298(19) 0.4825(3) 0.0211(7) Uani 1 1 d . . . . . N3 N 0.5925(5) 0.3402(2) 0.6376(4) 0.0396(10) Uani 1 1 d . . . . . C5 C 0.0454(5) 0.2104(2) 0.2745(3) 0.0250(8) Uani 1 1 d . . . . . H5 H -0.019297 0.200685 0.216560 0.030 Uiso 1 1 calc R U . . . C1 C 0.2394(5) 0.1785(2) 0.3777(3) 0.0264(8) Uani 1 1 d . . . . . H1 H 0.313737 0.146158 0.393650 0.032 Uiso 1 1 calc R U . . . C4 C 0.0268(5) 0.2715(2) 0.3332(3) 0.0251(8) Uani 1 1 d . . . . . H4 H -0.049211 0.302724 0.316053 0.030 Uiso 1 1 calc R U . . . N2 N 0.1454(7) 0.5688(3) 0.9401(4) 0.0508(14) Uani 1 1 d . . . . . C3 C 0.1210(5) 0.2861(2) 0.4174(3) 0.0223(7) Uani 1 1 d . . . . . C9 C 0.4751(5) 0.3780(2) 0.6311(4) 0.0304(9) Uani 1 1 d . . . . . H9 H 0.444313 0.393517 0.561555 0.036 Uiso 1 1 calc R U . . . C12 C 0.1496(6) 0.5350(3) 0.8473(4) 0.0363(11) Uani 1 1 d . . . . . H12 H 0.100464 0.555134 0.787178 0.044 Uiso 1 1 calc R U . . . C2 C 0.2283(5) 0.2383(2) 0.4407(3) 0.0255(8) Uani 1 1 d . . . . . H2 H 0.293243 0.246325 0.499080 0.031 Uiso 1 1 calc R U . . . C7 C 0.6743(7) 0.3223(3) 0.5421(6) 0.0517(16) Uani 1 1 d . . . . . H7A H 0.630019 0.343881 0.478000 0.078 Uiso 1 1 calc R U . . . H7B H 0.675742 0.271418 0.533110 0.078 Uiso 1 1 calc R U . . . H7C H 0.772627 0.339566 0.550523 0.078 Uiso 1 1 calc R U . . . C8 C 0.6468(8) 0.3167(5) 0.7418(7) 0.067(2) Uani 1 1 d . . . . . H8A H 0.737465 0.340489 0.757991 0.101 Uiso 1 1 calc R U . . . H8B H 0.662715 0.266109 0.739539 0.101 Uiso 1 1 calc R U . . . H8C H 0.577049 0.327708 0.798240 0.101 Uiso 1 1 calc R U . . . N4 N 0.5841(10) 0.6007(4) 0.7903(8) 0.083(2) Uani 1 1 d . . . . . C11 C 0.0799(12) 0.6372(5) 0.9509(8) 0.085(3) Uani 1 1 d . . . . . H11A H 0.021874 0.647233 0.886203 0.127 Uiso 1 1 calc R U . . . H11B H 0.154817 0.672707 0.958739 0.127 Uiso 1 1 calc R U . . . H11C H 0.018662 0.637721 1.015125 0.127 Uiso 1 1 calc R U . . . C10 C 0.2103(14) 0.5405(5) 1.0351(6) 0.090(3) Uani 1 1 d . . . . . H10A H 0.213263 0.489417 1.029503 0.135 Uiso 1 1 calc R U . . . H10B H 0.154327 0.553905 1.098760 0.135 Uiso 1 1 calc R U . . . H10C H 0.308004 0.558656 1.042655 0.135 Uiso 1 1 calc R U . . . O5 O 0.4762(11) 0.6482(7) 0.9391(13) 0.175(5) Uani 1 1 d . . . . . C13 C 0.5988(11) 0.5505(6) 0.7046(12) 0.116(5) Uani 1 1 d . . . . . H13A H 0.614996 0.504019 0.735789 0.174 Uiso 1 1 calc R U . . . H13B H 0.680211 0.563272 0.658989 0.174 Uiso 1 1 calc R U . . . H13C H 0.511065 0.549854 0.660379 0.174 Uiso 1 1 calc R U . . . C14A C 0.626(3) 0.6711(14) 0.785(2) 0.110(8) Uani 0.5 1 d . . P . . C15A C 0.4975(15) 0.5989(9) 0.885(2) 0.088(8) Uani 0.5 1 d . . P . . C14B C 0.7341(19) 0.6270(12) 0.8160(13) 0.074(6) Uani 0.5 1 d . . P . . C15B C 0.409(8) 0.637(3) 0.803(4) 0.30(4) Uani 0.5 1 d . . P . . 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 Ni1 0.0286(4) 0.0141(3) 0.0191(3) 0.0004(2) -0.0021(3) 0.0037(3) Ni2 0.0297(3) 0.0138(2) 0.0192(2) 0.00015(16) -0.00239(19) 0.00216(18) Cl2 0.0319(5) 0.0243(4) 0.0227(4) 0.0037(3) 0.0017(4) 0.0053(4) Cl1 0.0298(5) 0.0226(4) 0.0299(5) 0.0068(4) -0.0041(4) -0.0023(4) O1 0.0357(17) 0.0180(13) 0.0217(13) -0.0031(10) -0.0046(12) 0.0064(12) O2 0.0383(17) 0.0164(12) 0.0223(13) -0.0029(10) -0.0044(12) 0.0081(12) O4 0.048(2) 0.0219(14) 0.0262(15) -0.0046(12) -0.0036(14) 0.0019(14) O3 0.0275(16) 0.0328(17) 0.0288(15) 0.0022(13) -0.0026(12) 0.0023(13) N1 0.0287(18) 0.0173(14) 0.0233(15) -0.0013(12) -0.0036(13) -0.0014(13) C6 0.0282(19) 0.0137(15) 0.0215(16) -0.0016(12) -0.0010(14) -0.0001(14) N3 0.031(2) 0.034(2) 0.054(3) 0.009(2) 0.0045(19) 0.0048(17) C5 0.028(2) 0.0199(17) 0.0273(18) -0.0050(14) -0.0049(15) -0.0010(15) C1 0.037(2) 0.0168(16) 0.0253(18) -0.0014(14) -0.0068(16) 0.0060(16) C4 0.029(2) 0.0205(17) 0.0256(18) -0.0031(14) -0.0057(15) 0.0033(15) N2 0.074(4) 0.039(3) 0.039(2) -0.016(2) 0.017(2) -0.008(3) C3 0.029(2) 0.0161(15) 0.0221(16) -0.0024(13) -0.0010(14) -0.0001(14) C9 0.032(2) 0.0238(19) 0.035(2) 0.0039(17) -0.0021(18) 0.0020(17) C12 0.046(3) 0.027(2) 0.036(2) -0.0081(19) 0.002(2) -0.001(2) C2 0.033(2) 0.0211(17) 0.0225(17) -0.0039(14) -0.0081(15) 0.0017(16) C7 0.050(4) 0.036(3) 0.069(4) 0.002(3) 0.021(3) 0.004(3) C8 0.043(4) 0.090(6) 0.069(5) 0.032(4) 0.004(3) 0.026(4) N4 0.082(5) 0.065(5) 0.102(6) -0.013(4) -0.017(5) -0.029(4) C11 0.100(7) 0.063(5) 0.092(7) -0.044(5) 0.014(5) 0.017(5) C10 0.164(11) 0.069(5) 0.036(3) -0.018(3) -0.006(5) -0.002(6) O5 0.094(7) 0.170(11) 0.262(16) -0.079(11) -0.001(8) -0.001(7) C13 0.056(5) 0.102(8) 0.191(14) -0.071(9) -0.021(7) 0.014(5) C14A 0.103(19) 0.098(17) 0.13(2) -0.006(16) 0.019(16) -0.038(15) C15A 0.026(6) 0.057(9) 0.18(2) -0.054(12) 0.028(9) -0.010(6) C14B 0.061(10) 0.108(14) 0.054(8) -0.023(9) 0.007(7) -0.047(10) C15B 0.44(9) 0.26(5) 0.19(4) 0.10(4) -0.03(5) -0.27(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' Ni Ni 0.3393 1.1124 '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' Cl Cl 0.1484 0.1585 '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 O2 Ni1 O2 180.0 3_566 . O2 Ni1 Cl1 92.87(10) 3_566 3_566 O2 Ni1 Cl1 87.13(10) . 3_566 O2 Ni1 Cl1 87.13(10) 3_566 . O2 Ni1 Cl1 92.87(10) . . Cl1 Ni1 Cl1 180.0 3_566 . O2 Ni1 Cl2 89.84(9) 3_566 . O2 Ni1 Cl2 90.16(9) . . Cl1 Ni1 Cl2 93.32(4) 3_566 . Cl1 Ni1 Cl2 86.68(4) . . O2 Ni1 Cl2 90.16(9) 3_566 3_566 O2 Ni1 Cl2 89.84(9) . 3_566 Cl1 Ni1 Cl2 86.68(4) 3_566 3_566 Cl1 Ni1 Cl2 93.32(4) . 3_566 Cl2 Ni1 Cl2 180.00(5) . 3_566 O1 Ni2 O4 171.74(13) . . O1 Ni2 O3 87.96(13) . . O4 Ni2 O3 87.34(15) . . O1 Ni2 N1 85.83(13) . 4_566 O4 Ni2 N1 87.05(14) . 4_566 O3 Ni2 N1 85.67(14) . 4_566 O1 Ni2 Cl1 91.23(9) . . O4 Ni2 Cl1 95.72(10) . . O3 Ni2 Cl1 92.10(10) . . N1 Ni2 Cl1 176.37(11) 4_566 . O1 Ni2 Cl2 92.05(10) . . O4 Ni2 Cl2 92.59(11) . . O3 Ni2 Cl2 179.56(11) . . N1 Ni2 Cl2 93.89(11) 4_566 . Cl1 Ni2 Cl2 88.34(4) . . Ni2 Cl2 Ni1 86.58(4) . . Ni2 Cl1 Ni1 87.64(4) . . C6 O1 Ni2 131.8(3) . . C6 O2 Ni1 129.4(3) . . C12 O4 Ni2 123.4(3) . . C9 O3 Ni2 121.3(3) . . C1 N1 C5 117.9(4) . . C1 N1 Ni2 120.1(3) . 4_565 C5 N1 Ni2 121.6(3) . 4_565 O2 C6 O1 129.1(4) . . O2 C6 C3 116.6(3) . . O1 C6 C3 114.3(3) . . C9 N3 C8 120.7(5) . . C9 N3 C7 121.7(5) . . C8 N3 C7 117.6(5) . . N1 C5 C4 123.1(4) . . N1 C5 H5 118.5 . . C4 C5 H5 118.5 . . N1 C1 C2 122.8(4) . . N1 C1 H1 118.6 . . C2 C1 H1 118.6 . . C3 C4 C5 118.7(4) . . C3 C4 H4 120.7 . . C5 C4 H4 120.7 . . C12 N2 C10 121.0(6) . . C12 N2 C11 122.6(7) . . C10 N2 C11 116.4(6) . . C4 C3 C2 118.5(4) . . C4 C3 C6 121.7(4) . . C2 C3 C6 119.8(4) . . O3 C9 N3 123.6(5) . . O3 C9 H9 118.2 . . N3 C9 H9 118.2 . . O4 C12 N2 124.9(6) . . O4 C12 H12 117.5 . . N2 C12 H12 117.5 . . C3 C2 C1 119.0(4) . . C3 C2 H2 120.5 . . C1 C2 H2 120.5 . . N3 C7 H7A 109.5 . . N3 C7 H7B 109.5 . . H7A C7 H7B 109.5 . . N3 C7 H7C 109.5 . . H7A C7 H7C 109.5 . . H7B C7 H7C 109.5 . . N3 C8 H8A 109.5 . . N3 C8 H8B 109.5 . . H8A C8 H8B 109.5 . . N3 C8 H8C 109.5 . . H8A C8 H8C 109.5 . . H8B C8 H8C 109.5 . . C14A N4 C15A 102.7(14) . . C14A N4 C13 125.5(15) . . C15A N4 C13 130.1(10) . . C14A N4 C14B 55.5(14) . . C15A N4 C14B 111.3(11) . . C13 N4 C14B 106.4(10) . . C14A N4 C15B 83.7(18) . . C15A N4 C15B 54.0(16) . . C13 N4 C15B 114.5(18) . . C14B N4 C15B 134.3(18) . . N2 C11 H11A 109.5 . . N2 C11 H11B 109.5 . . H11A C11 H11B 109.5 . . N2 C11 H11C 109.5 . . H11A C11 H11C 109.5 . . H11B C11 H11C 109.5 . . N2 C10 H10A 109.5 . . N2 C10 H10B 109.5 . . H10A C10 H10B 109.5 . . N2 C10 H10C 109.5 . . H10A C10 H10C 109.5 . . H10B C10 H10C 109.5 . . C15A O5 C15B 55(3) . . N4 C13 H13A 109.5 . . N4 C13 H13B 109.5 . . H13A C13 H13B 109.5 . . N4 C13 H13C 109.5 . . H13A C13 H13C 109.5 . . H13B C13 H13C 109.5 . . C14B C14A N4 66.5(15) . . O5 C15A N4 123.0(18) . . O5 C15A C15B 84(3) . . N4 C15A C15B 75(3) . . C14A C14B N4 57.9(12) . . C15A C15B N4 51(3) . . C15A C15B O5 40.3(15) . . N4 C15B O5 79(3) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ni1 O2 2.051(3) 3_566 Ni1 O2 2.051(3) . Ni1 Cl1 2.4186(11) 3_566 Ni1 Cl1 2.4186(11) . Ni1 Cl2 2.4441(10) . Ni1 Cl2 2.4442(10) 3_566 Ni2 O1 2.010(3) . Ni2 O4 2.058(3) . Ni2 O3 2.073(3) . Ni2 N1 2.086(3) 4_566 Ni2 Cl1 2.3844(11) . Ni2 Cl2 2.4055(12) . O1 C6 1.253(5) . O2 C6 1.250(5) . O4 C12 1.225(6) . O3 C9 1.232(6) . N1 C1 1.335(5) . N1 C5 1.336(6) . C6 C3 1.514(5) . N3 C9 1.316(6) . N3 C8 1.449(9) . N3 C7 1.450(8) . C5 C4 1.386(6) . C5 H5 0.9500 . C1 C2 1.387(6) . C1 H1 0.9500 . C4 C3 1.384(6) . C4 H4 0.9500 . N2 C12 1.315(7) . N2 C10 1.422(11) . N2 C11 1.450(10) . C3 C2 1.385(6) . C9 H9 0.9500 . C12 H12 0.9500 . C2 H2 0.9500 . C7 H7A 0.9800 . C7 H7B 0.9800 . C7 H7C 0.9800 . C8 H8A 0.9800 . C8 H8B 0.9800 . C8 H8C 0.9800 . N4 C14A 1.40(3) . N4 C15A 1.43(3) . N4 C13 1.436(13) . N4 C14B 1.519(17) . N4 C15B 1.78(9) . C11 H11A 0.9800 . C11 H11B 0.9800 . C11 H11C 0.9800 . C10 H10A 0.9800 . C10 H10B 0.9800 . C10 H10C 0.9800 . O5 C15A 1.171(18) . O5 C15B 1.80(5) . C13 H13A 0.9800 . C13 H13B 0.9800 . C13 H13C 0.9800 . C14A C14B 1.37(3) . C15A C15B 1.49(7) .