#------------------------------------------------------------------------------ #$Date: 2021-07-31 12:01:06 +0300 (Sat, 31 Jul 2021) $ #$Revision: 267861 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/42/1564296.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_1564296 loop_ _publ_author_name 'Soliman, Saied M.' 'Elsilk, Sobhy E.' 'El-Faham, Ayman' _publ_section_title ; Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand ; _journal_name_full 'Inorganica Chimica Acta' _journal_page_first 119753 _journal_paper_doi 10.1016/j.ica.2020.119753 _journal_volume 510 _journal_year 2020 _chemical_formula_sum 'C14 H17 Co N9 O7' _chemical_formula_weight 482.29 _space_group_crystal_system monoclinic _space_group_IT_number 7 _space_group_name_Hall 'P -2yc' _space_group_name_H-M_alt 'P 1 c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 90 _cell_angle_beta 111.816(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.3466(17) _cell_length_b 8.6064(9) _cell_length_c 16.288(2) _cell_measurement_reflns_used 9902 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 25.26 _cell_measurement_theta_min 2.54 _cell_volume 1997.2(4) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Mercury 3.8' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2008)' _computing_structure_solution 'SHELXS-2013 (Sheldrick 2008)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.998 _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 0.0629 _diffrn_reflns_av_unetI/netI 0.0555 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 30398 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.285 _diffrn_reflns_theta_min 2.366 _exptl_absorpt_coefficient_mu 0.918 _exptl_absorpt_correction_T_max 0.7452 _exptl_absorpt_correction_T_min 0.6537 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Sheldrick, 2012)' _exptl_crystal_colour pink _exptl_crystal_density_diffrn 1.604 _exptl_crystal_description block _exptl_crystal_F_000 988 _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.14 _refine_diff_density_max 0.795 _refine_diff_density_min -0.291 _refine_diff_density_rms 0.075 _refine_ls_abs_structure_details ; Refined as an inversion twin. ; _refine_ls_abs_structure_Flack 0.30(3) _refine_ls_extinction_coef 0.0040(10) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2014/7 (Sheldrick 2014' _refine_ls_goodness_of_fit_ref 1.005 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 578 _refine_ls_number_reflns 7211 _refine_ls_number_restraints 5 _refine_ls_restrained_S_all 1.005 _refine_ls_R_factor_all 0.0684 _refine_ls_R_factor_gt 0.0509 _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^)+(0.0754P)^2^+1.3076P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1240 _refine_ls_wR_factor_ref 0.1342 _reflns_Friedel_coverage 0.997 _reflns_Friedel_fraction_full 0.999 _reflns_Friedel_fraction_max 0.998 _reflns_number_gt 5931 _reflns_number_total 7211 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file 3.cif _cod_data_source_block SA1CoNO3EA10T1RT_0m _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was changed to 'multi-scan' in accordance with the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21. Automatic conversion script Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius ; _cod_original_sg_symbol_H-M 'P c' _cod_database_code 1564296 _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_res_file ; SA1CoNO3EA10T1RT_0m.res created by SHELXL-2014/7 TITL SA1CoNO3EA10T1RT_0m_a.res in Pc CELL 0.71073 15.3466 8.6064 16.2880 90.000 111.816 90.000 ZERR 4.00 0.0017 0.0009 0.0020 0.0000 0.0033 0.0000 LATT -1 SYMM x, -y, z+1/2 SFAC C H N O CO UNIT 56 68 36 28 4 LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP 20.000 omit 4 4 -7 omit -1 0 2 TWIN ACTA L.S. 40 FMAP 2 PLAN -5 0 0.00 EADP O11A O11B EADP O10A O10B EXYZ O10A O10B EADP N36A N36B EXYZ N36A N36B EADP O13A O13B SADI O13B O11B O13B O12 O11B O12 HTAB BOND $H CONF WGHT 0.075400 1.307600 EXTI 0.003951 BASF 0.29981 FVAR 0.36012 0.89522 CO1 5 0.238558 0.548106 0.501284 11.00000 0.04369 0.04518 = 0.04012 -0.00195 0.01678 0.00133 CO2 5 0.742583 -0.019146 0.488622 11.00000 0.05201 0.04367 = 0.04408 -0.00299 0.02056 0.00075 O1 4 0.262633 0.339917 0.595174 11.00000 0.09308 0.05944 = 0.06617 0.00620 0.03606 0.00571 O2 4 0.276519 0.387672 0.729663 11.00000 0.13928 0.10875 = 0.03706 -0.00340 0.03913 -0.03806 O3 4 0.245613 0.567558 0.632825 11.00000 0.13949 0.04601 = 0.05518 0.00843 0.05001 0.02091 O5 4 0.184283 0.769725 0.495260 11.00000 0.13889 0.05747 = 0.11052 0.02685 0.06128 0.01424 O6 4 0.196628 0.985858 0.433858 11.00000 0.12641 0.06675 = 0.17697 0.05871 0.06672 0.02248 O7 4 0.248523 0.768662 0.403140 11.00000 0.10516 0.13314 = 0.13279 -0.01523 0.04580 0.02021 N7 3 0.416718 0.482492 0.470645 11.00000 0.04450 0.04970 = 0.04105 0.00326 0.02382 -0.00194 O8 4 0.714042 0.171481 0.386028 11.00000 0.15605 0.05782 = 0.06962 0.00715 0.05555 0.01884 O9 4 0.689083 0.113466 0.250829 11.00000 0.15596 0.11286 = 0.06163 0.03023 0.02979 0.03078 part 1 O10A 4 0.707808 -0.060756 0.353821 21.00000 0.18591 0.07217 = 0.06625 -0.01151 0.03836 -0.00168 part 2 O10B 4 0.707808 -0.060756 0.353821 -21.00000 0.18591 0.07217 = 0.06625 -0.01151 0.03836 -0.00168 part 0 part 1 O11A 4 0.786259 -0.254741 0.488418 21.00000 0.32523 0.05692 = 0.09946 0.00124 0.09807 -0.00309 part 2 O11B 4 0.716103 -0.275098 0.480334 -21.00000 0.32523 0.05692 = 0.09946 0.00124 0.09807 -0.00309 part 0 O12 4 0.796158 -0.445999 0.573256 11.00000 0.12198 0.05790 = 0.16841 0.04002 0.03898 0.02006 part 1 O13A 4 0.758876 -0.215857 0.599313 21.00000 0.11047 0.09443 = 0.18763 -0.02491 0.10211 0.00312 part 2 O13B 4 0.828814 -0.204259 0.598646 -21.00000 0.11047 0.09443 = 0.18763 -0.02491 0.10211 0.00312 part 0 N1 3 0.107702 0.345816 0.355457 11.00000 0.03860 0.04818 = 0.04520 -0.00307 0.01107 0.00095 N2 3 0.102506 0.446247 0.420453 11.00000 0.04523 0.04958 = 0.04824 0.00787 0.01491 0.00361 N3 3 0.206905 0.232627 0.291313 11.00000 0.05681 0.03737 = 0.04475 -0.00111 0.02485 -0.00089 O4 4 0.317176 0.124623 0.246104 11.00000 0.07885 0.04615 = 0.05701 -0.01084 0.03342 -0.00438 N5 3 0.369968 0.303647 0.352546 11.00000 0.05687 0.04609 = 0.04436 0.00057 0.02782 0.00003 N6 3 0.754980 0.130017 0.592560 11.00000 0.03197 0.04787 = 0.05458 -0.00752 0.01107 -0.00112 N8 3 0.599583 0.006384 0.490300 11.00000 0.04077 0.05181 = 0.03573 0.00168 0.00773 -0.00365 N9 3 0.686110 0.261147 0.676959 11.00000 0.04561 0.04834 = 0.03786 0.00396 0.01400 0.00612 N10 3 0.909122 0.163960 0.611188 11.00000 0.04180 0.04967 = 0.05159 0.00144 0.01672 0.00062 C3 1 0.468279 0.627129 0.586206 11.00000 0.05173 0.05304 = 0.03869 0.00539 0.01478 -0.01213 C4 1 0.467498 0.719271 0.662887 11.00000 0.07003 0.07500 = 0.05037 -0.00370 0.02258 -0.01232 AFIX 137 H4A 2 0.503408 0.812537 0.667810 11.00000 -1.50000 H4B 2 0.494571 0.659044 0.715958 11.00000 -1.50000 H4C 2 0.404010 0.745868 0.654521 11.00000 -1.50000 AFIX 0 C5 1 0.545676 0.592738 0.561645 11.00000 0.04814 0.07038 = 0.05452 0.00393 0.02135 -0.01595 AFIX 43 H5 2 0.607296 0.625883 0.590154 11.00000 -1.20000 AFIX 0 C6 1 0.512251 0.502122 0.488497 11.00000 0.04461 0.05171 = 0.05010 0.00670 0.02469 0.00069 C8 1 0.347767 0.394532 0.405902 11.00000 0.04488 0.04325 = 0.04042 0.00898 0.01432 -0.00019 C9 1 0.195717 0.327849 0.350757 11.00000 0.04426 0.04544 = 0.04377 0.01337 0.01007 0.00000 C10 1 0.012531 0.441545 0.411828 11.00000 0.04214 0.04431 = 0.06807 0.01251 0.01285 0.00927 C11 1 -0.039103 0.344073 0.342161 11.00000 0.03995 0.04992 = 0.08093 0.00217 0.00634 0.00085 AFIX 43 H11 2 -0.103141 0.324273 0.323331 11.00000 -1.20000 AFIX 0 C12 1 0.021747 0.282430 0.306272 11.00000 0.05284 0.04797 = 0.06291 -0.00169 0.00658 0.00362 C13 1 0.005123 0.171701 0.232086 11.00000 0.06549 0.07806 = 0.09865 -0.03927 0.01049 -0.00525 AFIX 137 H13A 2 -0.059858 0.142239 0.208552 11.00000 -1.50000 H13B 2 0.043303 0.080964 0.253189 11.00000 -1.50000 H13C 2 0.021176 0.220301 0.186549 11.00000 -1.50000 AFIX 0 C14 1 -0.019422 0.535606 0.471612 11.00000 0.06440 0.05676 = 0.08981 -0.00205 0.03123 0.00697 AFIX 137 H14A 2 -0.060062 0.617044 0.438450 11.00000 -1.50000 H14B 2 0.034000 0.580282 0.517391 11.00000 -1.50000 H14C 2 -0.052888 0.470387 0.497700 11.00000 -1.50000 AFIX 0 O14 4 0.784444 0.410138 0.790413 11.00000 0.06767 0.06150 = 0.05454 -0.01774 0.02773 -0.01487 C15 1 0.295449 0.222637 0.297027 11.00000 0.07697 0.03602 = 0.04097 0.00288 0.02660 -0.00218 N15 3 0.263702 0.430120 0.655608 11.00000 0.05882 0.06655 = 0.06512 -0.02085 0.02264 -0.02188 C16 1 0.240289 0.026325 0.189392 11.00000 0.09132 0.05498 = 0.07368 -0.01598 0.03961 -0.00727 AFIX 137 H16A 2 0.193286 0.090184 0.147541 11.00000 -1.50000 H16B 2 0.213075 -0.028983 0.225174 11.00000 -1.50000 H16C 2 0.264181 -0.046566 0.158341 11.00000 -1.50000 AFIX 0 C17 1 0.561239 0.433160 0.433563 11.00000 0.06551 0.07336 = 0.06610 -0.00280 0.04115 -0.00626 AFIX 137 H17A 2 0.542197 0.486399 0.377854 11.00000 -1.50000 H17B 2 0.545242 0.325122 0.423581 11.00000 -1.50000 H17C 2 0.627856 0.443506 0.463844 11.00000 -1.50000 AFIX 0 N18 3 0.209652 0.847064 0.442304 11.00000 0.06081 0.06344 = 0.07587 0.01403 0.01390 0.01161 C19 1 0.683740 0.165649 0.614600 11.00000 0.04416 0.04534 = 0.03700 0.01148 0.01508 -0.00123 C20 1 0.510808 0.099300 0.565722 11.00000 0.04283 0.05635 = 0.05016 0.01398 0.01768 0.00234 C21 1 0.487553 0.179268 0.635450 11.00000 0.05244 0.07089 = 0.08128 -0.00064 0.04076 -0.00216 AFIX 137 H21A 2 0.498438 0.288766 0.633288 11.00000 -1.50000 H21B 2 0.526391 0.139267 0.692327 11.00000 -1.50000 H21C 2 0.422751 0.161622 0.625946 11.00000 -1.50000 AFIX 0 C22 1 0.455595 0.014242 0.495074 11.00000 0.03648 0.06433 = 0.05782 0.01754 0.00519 -0.00612 AFIX 43 H22 2 0.391683 -0.003841 0.479278 11.00000 -1.20000 AFIX 0 C23 1 0.511482 -0.041480 0.450161 11.00000 0.04606 0.05872 = 0.04642 0.01277 0.00267 -0.00374 C24 1 0.485423 -0.137882 0.368147 11.00000 0.06907 0.07351 = 0.05051 -0.00905 0.00712 -0.00897 AFIX 137 H24A 2 0.451624 -0.075051 0.317614 11.00000 -1.50000 H24B 2 0.446599 -0.222970 0.371849 11.00000 -1.50000 H24C 2 0.541315 -0.177520 0.362322 11.00000 -1.50000 AFIX 0 C25 1 0.771902 0.315130 0.723206 11.00000 0.04349 0.04286 = 0.03975 0.00418 0.01220 -0.00210 N26 3 0.850980 0.283401 0.710029 11.00000 0.04835 0.05039 = 0.04297 -0.00237 0.00932 -0.00667 C27 1 0.836697 0.194536 0.641804 11.00000 0.03566 0.04610 = 0.04501 0.00606 0.01123 0.00629 N28 3 0.888773 0.064014 0.539619 11.00000 0.05145 0.04643 = 0.06454 0.00475 0.03044 0.00270 C29 1 0.963797 0.062341 0.519383 11.00000 0.05730 0.04773 = 0.08263 0.01307 0.03745 0.00697 N29 3 0.599251 0.094107 0.561008 11.00000 0.03753 0.05291 = 0.04082 -0.00039 0.01332 -0.00282 C30 1 0.967743 -0.032301 0.444665 11.00000 0.09297 0.06356 = 0.12220 0.00233 0.07756 0.01093 AFIX 137 H30A 2 0.926053 0.011064 0.389831 11.00000 -1.50000 H30B 2 0.949057 -0.137001 0.450209 11.00000 -1.50000 H30C 2 1.030670 -0.032178 0.445627 11.00000 -1.50000 AFIX 0 N30 3 0.261931 0.409323 0.410444 11.00000 0.04034 0.04501 = 0.03451 -0.00267 0.00986 -0.00439 C31 1 1.034063 0.158767 0.578222 11.00000 0.04668 0.05639 = 0.09898 0.02349 0.03470 0.00977 AFIX 43 H31 2 1.093574 0.176385 0.577530 11.00000 -1.20000 AFIX 0 N31 3 0.390978 0.561416 0.531941 11.00000 0.04681 0.05439 = 0.04066 0.00002 0.01886 -0.00789 C32 1 0.998749 0.220585 0.635645 11.00000 0.04425 0.05752 = 0.07459 0.00978 0.01400 0.00263 C33 1 1.041619 0.331868 0.711276 11.00000 0.04670 0.11702 = 0.09712 -0.03276 0.02042 -0.02428 AFIX 137 H33A 2 1.103857 0.358801 0.715536 11.00000 -1.50000 H33B 2 1.044461 0.283693 0.765372 11.00000 -1.50000 H33C 2 1.003882 0.424092 0.701162 11.00000 -1.50000 AFIX 0 C34 1 0.703944 0.454977 0.810753 11.00000 0.07239 0.05777 = 0.06129 -0.01067 0.03137 0.01070 AFIX 137 H34A 2 0.659470 0.508117 0.760946 11.00000 -1.50000 H34B 2 0.723699 0.522689 0.861203 11.00000 -1.50000 H34C 2 0.675197 0.363906 0.823618 11.00000 -1.50000 AFIX 0 N35 3 0.705102 0.077105 0.328139 11.00000 0.08127 0.06044 = 0.05513 0.01375 0.03773 0.01242 part 1 N36A 3 0.781740 -0.312094 0.555247 21.00000 0.05812 0.05909 = 0.08004 0.01102 0.01052 -0.00371 part 2 N36B 3 0.781740 -0.312094 0.555247 -21.00000 0.05812 0.05909 = 0.08004 0.01102 0.01052 -0.00371 part 0 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM SA1CoNO3EA10T1RT_0m_a.res in Pc REM R1 = 0.0509 for 5931 Fo > 4sig(Fo) and 0.0684 for all 7211 data REM 578 parameters refined using 5 restraints END WGHT 0.0633 1.4394 REM Instructions for potential hydrogen bonds EQIV $1 x, -y+1, z+1/2 HTAB C4 O4_$1 EQIV $2 x, y+1, z HTAB C5 O13A_$2 EQIV $3 x-1, -y, z-1/2 HTAB C13 O13B_$3 HTAB C24 O4 EQIV $4 x+1, y-1, z HTAB C30 O6_$4 EQIV $5 x+1, y, z HTAB C33 O2_$5 EQIV $6 x, -y, z+1/2 HTAB C34 O11B_$6 REM Highest difference peak 0.795, deepest hole -0.291, 1-sigma level 0.075 Q1 1 0.2408 0.4545 0.3070 11.00000 0.05 0.79 Q2 1 0.7454 0.9786 0.1866 11.00000 0.05 0.74 Q3 1 0.7467 0.0163 0.2811 11.00000 0.05 0.62 Q4 1 0.2347 0.4542 0.7102 11.00000 0.05 0.54 Q5 1 0.2408 0.4601 0.4282 11.00000 0.05 0.47 ; _shelx_res_checksum 49258 _shelx_hkl_file ; -2 0 0 4083.59 156.08 2 0 0 4466.25 156.88 -3 0 0 12.00 1.10 -3 0 0 13.00 0.80 3 0 0 12.60 0.80 3 0 0 14.90 1.30 -4 0 0 9670.63 357.36 4 0 0 9999.00 358.56 -5 0 0 83.09 3.30 -5 0 0 87.39 4.10 -5 0 0 81.99 5.10 5 0 0 79.69 3.90 5 0 0 81.59 3.30 -6 0 0 861.91 31.80 -6 0 0 913.71 34.10 -6 0 0 932.51 32.70 6 0 0 868.51 31.80 6 0 0 928.31 32.70 -7 0 0 37.80 2.00 -7 0 0 40.40 2.80 -7 0 0 41.40 4.60 7 0 0 40.00 2.10 7 0 0 36.80 3.20 -8 0 0 840.32 29.90 -8 0 0 825.32 31.80 -8 0 0 765.22 28.60 8 0 0 801.62 28.70 8 0 0 803.02 29.80 -9 0 0 72.09 4.80 -9 0 0 66.69 6.40 -9 0 0 68.59 3.10 9 0 0 69.49 4.70 9 0 0 70.79 3.20 -10 0 0 10.80 4.00 -10 0 0 10.80 2.60 -10 0 0 11.30 1.40 10 0 0 10.20 2.60 10 0 0 7.70 1.20 -11 0 0 36.90 2.10 -11 0 0 37.70 3.80 -11 0 0 36.30 5.30 11 0 0 28.10 3.80 11 0 0 38.60 2.40 -12 0 0 78.69 3.50 -12 0 0 68.89 5.90 -12 0 0 76.19 8.20 12 0 0 80.39 5.60 12 0 0 82.69 3.70 -13 0 0 15.60 6.30 -13 0 0 14.00 4.00 13 0 0 9.80 3.50 -14 0 0 98.19 7.80 -14 0 0 106.09 11.00 14 0 0 101.29 4.20 14 0 0 96.59 7.80 -15 0 0 4.10 6.50 -15 0 0 2.70 3.30 15 0 0 10.60 4.50 -16 0 0 15.00 7.90 -16 0 0 0.80 4.60 16 0 0 3.60 4.80 -17 0 0 1.90 5.50 -17 0 0 -2.40 8.50 17 0 0 0.30 4.20 17 -1 0 11.10 4.60 -17 1 0 13.40 9.10 -17 1 0 6.00 5.90 16 -1 0 7.20 4.50 -16 1 0 3.80 7.80 -16 1 0 2.80 4.90 15 -1 0 33.80 5.40 -15 1 0 43.90 9.10 -15 1 0 40.80 5.50 14 -1 0 7.10 4.10 -14 1 0 7.90 3.20 -14 1 0 17.50 7.10 13 -1 0 184.38 9.50 -13 1 0 205.78 10.20 -13 1 0 187.88 13.40 12 -1 0 6.20 3.20 -12 1 0 9.20 5.10 -12 1 0 7.70 3.10 11 -1 0 98.39 6.10 -11 1 0 82.19 5.90 -11 1 0 82.89 8.40 10 -1 0 11.10 2.30 -10 1 0 15.20 4.80 -10 1 0 12.70 2.70 9 -1 0 419.16 16.60 -9 1 0 431.36 19.10 -9 1 0 419.56 16.50 8 -1 0 129.49 6.40 -8 1 0 132.19 6.20 -8 1 0 133.19 8.50 7 -1 0 1721.13 60.69 -7 1 0 1679.63 60.59 -7 1 0 1693.93 62.69 6 -1 0 169.68 6.90 -6 1 0 158.58 6.90 -6 1 0 159.98 8.60 5 -1 0 1091.19 39.10 -5 1 0 1103.19 39.10 -5 1 0 1087.29 40.70 4 -1 0 743.93 27.80 4 -1 0 727.53 26.40 -4 1 0 738.23 27.70 -4 1 0 728.93 26.40 3 -1 0 401.96 15.80 3 -1 0 399.46 14.60 -3 1 0 415.46 14.60 -3 1 0 390.86 14.20 -3 1 0 409.56 15.80 2 -1 0 169.78 6.20 2 -1 0 171.18 6.40 2 -1 0 172.88 7.20 -2 1 0 174.18 6.20 -2 1 0 175.48 6.40 -2 1 0 174.68 7.30 1 -1 0 4007.40 144.39 -1 1 0 3942.61 144.19 0 -1 0 4.60 0.50 0 -1 0 5.80 0.40 0 1 0 6.10 0.30 -1 -1 0 22.90 5.30 -2 -1 0 180.98 6.90 -2 -1 0 180.88 6.90 -2 -1 0 192.18 7.30 2 1 0 181.38 6.90 2 1 0 180.38 6.90 2 1 0 187.38 7.20 -3 -1 0 406.46 15.00 -3 -1 0 424.76 15.20 -3 -1 0 438.36 15.80 3 1 0 398.36 15.00 3 1 0 416.06 15.20 -4 -1 0 746.63 26.40 -4 -1 0 720.43 26.10 4 1 0 743.83 26.50 4 1 0 719.63 26.10 -5 -1 0 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7.60 -6 -3 0 140.89 6.30 -6 -3 0 138.99 6.40 6 3 0 140.09 6.40 6 3 0 136.79 6.50 -7 -3 0 196.58 8.50 -7 -3 0 204.88 10.10 -7 -3 0 216.68 8.90 7 3 0 194.58 8.80 7 3 0 195.18 8.60 -8 -3 0 30.60 3.00 -8 -3 0 24.50 2.90 -8 -3 0 28.70 5.00 8 3 0 27.30 3.20 8 3 0 25.90 3.00 -9 -3 0 104.69 6.00 -9 -3 0 92.59 5.10 -9 -3 0 101.29 7.50 9 3 0 90.09 5.90 9 3 0 92.29 5.20 -10 -3 0 122.89 8.30 -10 -3 0 121.89 7.10 -10 -3 0 118.79 6.00 10 3 0 118.79 7.00 10 3 0 118.79 6.40 -11 -3 0 56.69 4.70 -11 -3 0 53.09 7.30 -11 -3 0 58.29 4.10 11 3 0 54.89 4.50 11 3 0 54.29 4.70 -12 -3 0 41.80 5.00 -12 -3 0 44.50 6.60 -12 -3 0 40.70 6.80 -12 -3 0 41.10 4.20 12 3 0 37.00 4.10 12 3 0 47.00 5.50 -13 -3 0 35.10 4.50 -13 -3 0 43.70 7.90 -13 -3 0 48.00 7.70 -13 -3 0 47.60 4.50 13 3 0 35.80 4.10 13 3 0 51.29 6.40 -14 -3 0 15.60 5.80 -14 -3 0 10.10 6.10 -14 -3 0 8.70 3.00 -14 -3 0 8.90 4.70 14 3 0 15.40 4.80 14 3 0 12.80 3.20 -15 -3 0 17.30 3.50 -15 -3 0 12.60 4.10 -15 -3 0 22.00 7.00 -15 -3 0 29.10 7.80 15 3 0 26.10 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2.30 3.70 -14 5 0 -1.40 8.40 13 -5 0 2.10 4.00 -13 5 0 -1.70 3.40 -13 5 0 8.80 8.40 12 -5 0 11.90 3.40 -12 5 0 8.90 7.10 -12 5 0 8.70 3.40 11 -5 0 67.79 5.40 -11 5 0 79.79 10.50 -11 5 0 68.79 5.20 10 -5 0 23.60 3.00 -10 5 0 22.90 3.10 -10 5 0 21.00 1.50 -10 5 0 19.90 1.50 -10 5 0 21.70 7.10 9 -5 0 6.20 2.10 -9 5 0 2.20 1.90 -9 5 0 3.90 1.30 8 -5 0 20.20 2.30 8 -5 0 20.10 5.30 -8 5 0 18.80 2.00 -8 5 0 25.40 6.10 -8 5 0 20.00 2.30 7 -5 0 31.60 6.30 -7 5 0 30.20 6.00 -7 5 0 24.50 2.50 -7 5 0 24.30 2.50 6 -5 0 63.79 6.40 6 -5 0 65.79 3.60 -6 5 0 62.79 3.30 -6 5 0 61.29 3.60 -6 5 0 61.29 7.10 5 -5 0 7.90 4.00 5 -5 0 8.90 1.70 -5 5 0 8.10 1.80 -5 5 0 10.70 3.50 -5 5 0 6.20 1.10 4 -5 0 150.98 9.30 4 -5 0 146.69 6.50 -4 5 0 146.89 6.60 -4 5 0 150.68 5.70 -4 5 0 154.08 9.50 3 -5 0 2.80 1.50 3 -5 0 1.60 3.20 -3 5 0 3.80 1.80 -3 5 0 4.10 0.40 -3 5 0 6.50 3.50 -3 5 0 3.30 0.40 2 -5 0 184.08 9.90 2 -5 0 187.78 8.10 -2 5 0 188.28 8.10 -2 5 0 199.08 10.20 1 -5 0 9.30 1.90 1 -5 0 8.30 3.10 -1 5 0 8.90 2.10 -1 5 0 9.80 3.50 0 -5 0 164.88 7.50 0 -5 0 182.58 6.40 0 -5 0 178.38 8.90 0 5 0 162.88 6.30 0 5 0 167.78 7.70 0 5 0 181.08 9.30 -1 -5 0 9.50 2.20 -1 -5 0 8.30 1.10 -1 -5 0 9.30 2.70 1 5 0 16.70 3.70 1 5 0 8.80 1.10 1 5 0 7.90 1.90 -2 -5 0 179.48 8.20 -2 -5 0 189.18 9.10 -2 -5 0 195.38 7.40 2 5 0 194.78 9.50 2 5 0 193.78 8.60 2 5 0 181.98 7.40 -3 -5 0 5.30 2.80 -3 -5 0 0.90 2.00 -3 -5 0 2.80 1.20 3 5 0 2.20 2.90 3 5 0 6.00 1.40 3 5 0 5.10 1.90 -4 -5 0 158.78 8.10 -4 -5 0 151.38 7.40 -4 -5 0 156.68 6.70 4 5 0 142.79 6.60 4 5 0 150.88 7.50 4 5 0 168.18 8.30 -5 -5 0 7.60 2.30 -5 -5 0 6.00 1.80 -5 -5 0 16.90 3.60 5 5 0 12.40 2.80 5 5 0 7.90 2.80 5 5 0 9.80 2.00 -6 -5 0 62.79 4.20 -6 -5 0 77.59 6.30 -6 -5 0 56.99 4.60 6 5 0 64.89 4.90 6 5 0 69.99 4.40 6 5 0 70.79 5.30 -7 -5 0 31.80 3.50 -7 -5 0 31.50 5.60 -7 -5 0 29.90 3.60 7 5 0 29.50 3.80 7 5 0 29.00 3.60 -8 -5 0 23.00 3.20 -8 -5 0 20.10 4.70 -8 -5 0 24.40 3.20 8 5 0 14.00 3.40 8 5 0 20.50 3.10 -9 -5 0 1.70 2.50 -9 -5 0 -0.60 4.30 -9 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1.30 -6 6 0 12.90 5.50 5 -6 0 41.90 3.40 5 -6 0 38.10 6.50 -5 6 0 35.40 1.90 -5 6 0 34.20 3.60 -5 6 0 42.20 6.90 -5 6 0 35.80 1.90 4 -6 0 28.00 5.40 4 -6 0 29.50 3.20 -4 6 0 33.70 5.90 -4 6 0 31.30 3.60 3 -6 0 92.39 7.50 3 -6 0 101.59 5.40 -3 6 0 97.59 5.40 -3 6 0 105.69 8.30 2 -6 0 9.20 3.70 2 -6 0 10.30 2.30 -2 6 0 7.80 2.20 -2 6 0 10.30 4.40 1 -6 0 47.50 3.80 1 -6 0 45.00 5.60 -1 6 0 51.89 6.10 -1 6 0 43.60 3.80 0 -6 0 7.70 2.30 0 -6 0 4.20 3.10 0 6 0 5.70 1.90 0 6 0 6.50 0.70 0 6 0 12.10 4.40 -1 -6 0 41.30 3.90 -1 -6 0 45.60 2.30 -1 -6 0 45.40 4.90 1 6 0 39.60 2.30 1 6 0 47.70 5.70 1 6 0 42.70 4.10 -2 -6 0 9.10 3.10 -2 -6 0 9.40 1.30 -2 -6 0 3.60 2.50 2 6 0 7.90 1.40 2 6 0 5.60 2.60 2 6 0 9.50 3.90 -3 -6 0 96.89 5.90 -3 -6 0 101.69 6.60 -3 -6 0 104.99 4.80 3 6 0 94.49 5.60 3 6 0 100.99 4.80 3 6 0 105.99 7.20 -4 -6 0 32.00 4.80 -4 -6 0 34.10 2.90 -4 -6 0 30.60 3.40 4 6 0 33.90 4.10 4 6 0 34.00 4.70 4 6 0 31.40 2.90 -5 -6 0 37.40 3.40 -5 -6 0 36.40 5.30 -5 -6 0 40.30 4.20 5 6 0 40.90 4.50 5 6 0 34.90 3.50 5 6 0 39.50 4.90 -6 -6 0 12.40 4.10 -6 -6 0 11.70 2.40 -6 -6 0 5.70 2.90 6 6 0 9.30 2.50 6 6 0 10.80 3.40 6 6 0 14.70 3.40 -7 -6 0 70.09 7.00 -7 -6 0 68.89 4.80 -7 -6 0 62.39 5.50 7 6 0 58.19 4.70 7 6 0 68.89 5.90 -8 -6 0 6.30 2.80 -8 -6 0 8.90 2.90 -8 -6 0 17.40 4.90 8 6 0 7.00 2.90 8 6 0 7.00 3.40 -9 -6 0 27.50 3.90 -9 -6 0 37.80 4.80 -9 -6 0 34.00 6.00 9 6 0 35.30 4.20 9 6 0 27.70 4.50 -10 -6 0 5.30 5.20 -10 -6 0 18.50 3.90 10 6 0 9.90 4.00 10 6 0 4.30 3.40 -11 -6 0 15.60 6.00 -11 -6 0 22.60 4.30 -11 -6 0 21.10 4.40 11 6 0 25.70 4.90 11 6 0 23.20 4.40 -12 -6 0 -4.80 5.60 -12 -6 0 -1.30 4.00 -12 -6 0 7.80 4.10 12 6 0 0.60 4.00 12 6 0 5.00 4.40 -13 -6 0 27.60 6.10 -13 -6 0 13.20 5.10 -13 -6 0 18.90 4.70 -13 -6 0 12.70 6.60 13 6 0 18.70 4.80 13 6 0 16.70 5.20 -12 7 0 3.90 3.10 -12 7 0 0.50 9.20 -11 7 0 -3.80 2.40 -11 7 0 7.00 8.30 -11 7 0 0.60 1.90 -10 7 0 17.30 8.40 -10 7 0 14.10 2.60 -10 7 0 18.40 2.60 -9 7 0 20.10 2.90 -9 7 0 23.60 8.10 -9 7 0 14.10 2.20 8 -7 0 24.30 7.40 -8 7 0 27.10 8.20 -8 7 0 23.90 2.50 -8 7 0 29.00 3.40 7 -7 0 0.30 2.30 7 -7 0 4.80 6.10 -7 7 0 4.10 1.30 -7 7 0 2.60 1.10 -7 7 0 2.70 6.10 -7 7 0 2.00 2.50 6 -7 0 54.19 9.80 6 -7 0 45.30 4.20 -6 7 0 49.99 4.60 -6 7 0 55.39 8.90 5 -7 0 8.50 5.20 5 -7 0 10.90 2.60 -5 7 0 9.90 6.00 -5 7 0 6.00 2.80 4 -7 0 59.99 4.70 4 -7 0 60.49 7.80 -4 7 0 50.19 8.10 -4 7 0 59.09 4.70 3 -7 0 1.50 2.30 3 -7 0 6.90 4.70 -3 7 0 7.70 2.70 -3 7 0 6.10 5.10 2 -7 0 82.09 7.60 2 -7 0 92.39 5.60 -2 7 0 86.49 5.70 -2 7 0 87.79 8.50 1 -7 0 -1.90 3.30 1 -7 0 1.90 2.50 -1 7 0 3.70 2.70 -1 7 0 3.90 4.80 0 -7 0 169.58 8.20 0 -7 0 147.39 9.30 0 7 0 174.58 11.00 0 7 0 158.58 8.30 -1 -7 0 3.00 0.80 -1 -7 0 0.10 2.40 -1 -7 0 2.50 3.30 1 7 0 1.60 2.90 1 7 0 6.60 4.80 1 7 0 2.30 0.90 -2 -7 0 83.49 6.00 -2 -7 0 82.39 6.70 -2 -7 0 94.09 4.10 2 7 0 92.49 7.80 2 7 0 81.69 4.10 2 7 0 92.49 6.30 -3 -7 0 6.90 1.60 -3 -7 0 5.10 3.50 -3 -7 0 3.30 3.10 3 7 0 3.90 4.00 3 7 0 7.30 3.10 3 7 0 4.40 1.50 -4 -7 0 60.29 6.10 -4 -7 0 53.49 6.30 -4 -7 0 59.99 3.90 4 7 0 61.89 6.50 4 7 0 51.29 5.50 4 7 0 58.59 3.90 -5 -7 0 12.40 3.90 -5 -7 0 8.90 3.60 -5 -7 0 11.80 2.30 5 7 0 11.00 3.00 5 7 0 13.70 4.00 5 7 0 10.40 2.30 -6 -7 0 56.09 4.50 -6 -7 0 54.79 6.20 -6 -7 0 55.79 5.90 6 7 0 57.09 4.60 6 7 0 53.99 6.00 6 7 0 61.89 6.10 -7 -7 0 7.40 2.80 -7 -7 0 4.20 4.10 -7 -7 0 7.60 3.60 7 7 0 1.30 2.50 7 7 0 -0.80 3.70 -8 -7 0 19.10 5.20 -8 -7 0 28.70 3.90 -8 -7 0 35.10 4.90 8 7 0 24.80 4.60 8 7 0 24.20 3.70 -9 -7 0 21.80 3.80 -9 -7 0 14.60 4.40 -9 -7 0 13.20 5.60 9 7 0 19.00 4.00 9 7 0 19.40 3.90 -10 -7 0 14.60 4.40 -10 -7 0 2.40 5.60 -10 -7 0 15.50 4.20 10 7 0 17.00 4.10 10 7 0 15.80 4.30 -11 -7 0 -1.40 4.10 -11 -7 0 9.50 4.70 11 7 0 -0.10 4.20 11 7 0 2.50 4.10 -12 -7 0 17.60 5.20 -12 -7 0 4.20 4.70 12 7 0 7.20 4.90 12 7 0 6.40 5.10 -10 8 0 -3.10 1.60 -10 8 0 -1.70 2.80 -10 8 0 7.20 9.00 -9 8 0 20.20 8.70 -9 8 0 16.70 1.90 -9 8 0 25.90 2.50 -9 8 0 20.50 3.60 8 -8 0 10.90 7.10 -8 8 0 -0.70 7.00 -8 8 0 7.40 3.20 7 -8 0 56.49 9.90 7 -8 0 59.59 5.30 -7 8 0 63.39 11.10 -7 8 0 55.79 5.40 6 -8 0 7.40 3.20 6 -8 0 7.00 6.10 -6 8 0 8.70 7.20 -6 8 0 7.20 3.10 5 -8 0 28.70 7.20 5 -8 0 31.60 3.90 -5 8 0 25.60 7.60 -5 8 0 25.30 3.90 4 -8 0 0.20 2.80 4 -8 0 3.00 5.00 -4 8 0 -2.50 2.90 -4 8 0 -6.50 5.70 3 -8 0 22.50 6.40 3 -8 0 19.70 3.60 -3 8 0 23.20 4.10 -3 8 0 14.30 6.70 2 -8 0 1.70 4.40 2 -8 0 2.00 3.40 -2 8 0 5.40 6.50 1 -8 0 26.70 6.10 1 -8 0 26.60 4.90 -1 8 0 33.90 7.40 -1 8 0 31.10 4.50 0 -8 0 16.00 3.20 0 -8 0 22.50 5.40 0 8 0 21.50 4.20 0 8 0 26.80 7.10 -1 -8 0 28.90 4.30 -1 -8 0 28.20 5.60 1 8 0 21.70 4.30 1 8 0 30.80 6.60 -2 -8 0 2.30 1.10 -2 -8 0 0.90 3.10 -2 -8 0 0.10 3.70 2 8 0 -2.10 4.90 2 8 0 1.30 1.20 2 8 0 -0.20 3.50 -3 -8 0 20.90 2.40 -3 -8 0 17.00 4.10 -3 -8 0 19.30 4.50 3 8 0 23.90 4.50 3 8 0 15.10 2.10 3 8 0 24.40 5.70 -4 -8 0 -1.10 3.40 -4 -8 0 1.60 3.60 -4 -8 0 1.30 1.80 4 8 0 3.20 2.00 4 8 0 0.70 4.00 4 8 0 5.70 4.10 -5 -8 0 29.20 5.00 -5 -8 0 28.50 3.20 -5 -8 0 30.40 4.90 5 8 0 41.00 6.20 5 8 0 29.20 4.40 5 8 0 24.10 3.00 -6 -8 0 6.70 4.10 -6 -8 0 6.00 2.70 -6 -8 0 7.80 3.90 6 8 0 12.20 4.30 6 8 0 7.50 2.80 6 8 0 6.40 4.50 -7 -8 0 54.29 4.90 -7 -8 0 57.79 5.60 -7 -8 0 52.09 6.60 7 8 0 58.19 6.70 7 8 0 61.69 5.40 -8 -8 0 1.70 4.40 -8 -8 0 4.10 4.40 -8 -8 0 4.50 3.30 8 8 0 6.20 3.40 8 8 0 7.30 4.30 -9 -8 0 29.60 5.60 -9 -8 0 18.80 5.50 9 8 0 21.80 5.50 9 8 0 23.10 5.30 -10 -8 0 -6.90 4.00 -10 -8 0 2.20 4.80 10 8 0 8.00 4.20 10 8 0 1.20 5.30 8 -9 0 29.10 9.20 -8 9 0 15.10 4.40 -8 9 0 0.30 9.50 7 -9 0 7.40 7.60 -7 9 0 -14.50 8.10 6 -9 0 38.80 5.10 6 -9 0 36.80 9.10 -6 9 0 20.30 9.60 -6 9 0 29.80 4.90 5 -9 0 19.70 7.60 5 -9 0 17.00 4.20 -5 9 0 7.70 8.50 -5 9 0 27.90 4.80 4 -9 0 29.50 4.80 4 -9 0 34.20 7.90 -4 9 0 23.10 4.60 -4 9 0 16.50 8.80 3 -9 0 5.10 5.90 3 -9 0 8.70 3.70 -3 9 0 2.20 3.90 -3 9 0 -5.10 8.90 2 -9 0 59.79 6.30 2 -9 0 68.49 9.30 -2 9 0 49.70 9.50 -2 9 0 64.29 6.80 1 -9 0 36.20 4.90 1 -9 0 33.80 7.20 -1 9 0 33.80 5.10 -1 9 0 15.10 8.20 0 -9 0 43.50 5.60 0 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0 18.20 5.20 0 10 0 4.60 8.10 0 10 0 16.70 5.50 -1 -10 0 28.10 5.70 -1 -10 0 26.80 6.90 1 10 0 22.60 7.70 1 10 0 21.20 5.80 -2 -10 0 4.60 4.80 -2 -10 0 9.10 5.70 2 10 0 14.30 5.70 2 10 0 12.00 7.00 -3 -10 0 6.00 5.50 -3 -10 0 11.20 5.50 3 10 0 16.40 6.40 3 10 0 15.50 6.00 -4 -10 0 16.20 5.70 -4 -10 0 16.20 5.80 -4 -10 0 17.80 2.20 4 10 0 14.40 5.70 4 10 0 30.80 6.70 4 10 -1 15.80 5.20 4 10 -1 4.70 6.00 4 10 -1 1.20 1.80 -4 -10 1 3.40 4.70 -4 -10 1 2.60 4.10 3 10 -1 10.10 4.80 3 10 -1 20.60 6.20 -3 -10 1 12.40 5.30 -3 -10 1 10.70 5.30 2 10 -1 8.60 6.50 2 10 -1 11.50 5.40 -2 -10 1 6.70 5.30 -2 -10 1 6.20 5.20 1 10 -1 16.20 5.60 1 10 -1 11.20 7.20 -1 -10 1 6.40 4.00 -1 -10 1 17.60 6.10 0 10 -1 11.00 5.50 0 10 -1 -2.80 7.50 0 -10 1 14.30 6.30 0 -10 1 12.50 5.10 -1 10 -1 -15.80 9.40 -1 10 -1 19.50 5.30 1 -10 1 5.70 5.00 -2 10 -1 2.30 4.60 2 -10 1 9.50 6.60 2 -10 1 2.20 4.50 -3 10 -1 10.50 5.10 3 -10 1 16.70 7.80 3 -10 1 8.50 5.30 8 9 -1 14.90 4.80 8 9 -1 18.40 4.10 -8 -9 1 23.00 4.80 -8 -9 1 18.70 4.10 -8 -9 1 10.80 3.80 7 9 -1 5.50 5.60 7 9 -1 8.70 3.30 -7 -9 1 10.50 5.00 -7 -9 1 0.90 3.20 -7 -9 1 1.00 3.60 6 9 -1 14.50 5.50 6 9 -1 13.60 3.20 -6 -9 1 16.70 3.00 -6 -9 1 18.80 5.30 -6 -9 1 17.80 4.30 5 9 -1 1.20 2.40 5 9 -1 9.70 4.20 5 9 -1 9.10 5.20 -5 -9 1 1.00 4.50 -5 -9 1 0.40 3.80 -5 -9 1 2.40 2.10 4 9 -1 35.90 3.70 4 9 -1 35.40 5.30 4 9 -1 53.99 7.00 -4 -9 1 36.20 5.80 -4 -9 1 39.60 3.40 -4 -9 1 46.10 6.30 3 9 -1 8.70 5.20 3 9 -1 2.10 1.60 3 9 -1 3.30 4.50 -3 -9 1 2.00 1.30 -3 -9 1 0.10 3.30 -3 -9 1 8.10 4.40 2 9 -1 21.80 6.30 2 9 -1 25.10 5.20 -2 -9 1 20.90 4.80 -2 -9 1 21.80 5.40 1 9 -1 5.80 4.20 1 9 -1 2.20 6.10 -1 -9 1 3.50 4.00 -1 -9 1 6.30 4.60 0 9 -1 44.20 5.60 0 9 -1 33.10 8.40 0 -9 1 46.80 7.60 0 -9 1 44.30 5.60 -1 9 -1 3.60 4.00 -1 9 -1 -12.50 6.80 1 -9 1 -0.30 3.40 1 -9 1 -4.50 5.10 -2 9 -1 4.20 4.10 -2 9 -1 1.40 6.90 2 -9 1 6.20 3.90 2 -9 1 10.60 6.10 -3 9 -1 -1.50 3.70 3 -9 1 4.10 7.30 3 -9 1 2.90 3.80 -4 9 -1 17.00 4.40 4 -9 1 19.10 4.30 4 -9 1 18.90 7.20 -5 9 -1 3.30 4.00 5 -9 1 -0.20 3.80 5 -9 1 13.60 7.50 -6 9 -1 -0.80 8.00 -6 9 -1 1.40 4.00 -7 9 -1 -6.20 8.30 -7 9 -1 -6.10 7.30 -8 9 -1 15.90 9.60 -8 9 -1 15.50 4.40 11 8 -1 3.20 5.50 11 8 -1 -2.20 4.30 -11 -8 1 -7.80 4.10 -11 -8 1 2.50 4.70 -11 -8 1 -4.00 4.40 10 8 -1 12.10 4.40 10 8 -1 10.00 5.30 -10 -8 1 10.30 5.00 -10 -8 1 7.20 4.20 9 8 -1 31.90 7.40 9 8 -1 27.70 5.70 -9 -8 1 24.50 4.40 -9 -8 1 30.00 5.10 -9 -8 1 38.00 5.70 8 8 -1 10.50 3.90 8 8 -1 8.10 3.50 -8 -8 1 9.20 3.60 -8 -8 1 8.70 3.30 -8 -8 1 12.60 4.50 7 8 -1 3.40 4.30 7 8 -1 6.00 3.10 -7 -8 1 8.50 3.40 -7 -8 1 4.30 3.00 -7 -8 1 4.90 4.20 6 8 -1 4.30 4.00 6 8 -1 1.60 2.40 6 8 -1 5.60 3.40 -6 -8 1 1.80 3.10 -6 -8 1 -1.90 3.70 -6 -8 1 0.90 2.50 5 8 -1 46.40 4.20 5 8 -1 59.19 6.00 5 8 -1 47.40 5.20 -5 -8 1 46.50 5.50 -5 -8 1 46.90 4.20 -5 -8 1 52.49 6.20 4 8 -1 11.60 4.20 4 8 -1 8.90 2.10 4 8 -1 10.60 4.20 -4 -8 1 8.10 2.00 -4 -8 1 11.60 3.70 -4 -8 1 7.70 3.90 3 8 -1 9.50 4.70 3 8 -1 7.50 3.90 3 8 -1 9.80 1.90 -3 -8 1 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13.00 2.50 -5 -7 3 10.20 2.20 -5 -7 3 11.90 3.50 4 7 -3 83.69 5.90 4 7 -3 101.79 6.00 4 7 -3 87.39 5.10 -4 -7 3 90.19 5.40 -4 -7 3 98.19 5.00 -4 -7 3 77.69 9.50 3 7 -3 5.80 3.60 3 7 -3 2.50 3.20 3 7 -3 3.40 1.80 -3 -7 3 0.90 1.60 -3 -7 3 1.00 2.90 -3 -7 3 3.70 2.60 2 7 -3 31.70 3.80 2 7 -3 28.70 2.80 -2 -7 3 34.40 4.10 -2 -7 3 30.00 4.50 1 7 -3 -2.20 2.70 1 7 -3 -0.60 3.80 1 7 -3 -1.90 1.30 -1 -7 3 -2.30 2.90 -1 -7 3 -2.80 2.50 0 7 -3 94.19 7.90 0 7 -3 97.79 4.60 0 7 -3 105.49 6.50 0 -7 3 111.59 6.40 0 -7 3 104.39 7.60 -1 7 -3 6.60 3.00 -1 7 -3 5.50 4.00 -1 7 -3 5.30 1.40 -1 7 -3 5.80 1.20 1 -7 3 5.50 3.80 1 -7 3 7.70 2.90 -2 7 -3 77.99 5.60 -2 7 -3 79.49 3.70 -2 7 -3 86.49 8.30 -2 7 -3 77.49 3.80 2 -7 3 75.79 5.40 -3 7 -3 25.30 2.40 -3 7 -3 33.20 3.80 -3 7 -3 22.70 2.10 -3 7 -3 31.90 6.00 -4 7 -3 39.10 4.60 -4 7 -3 41.60 3.00 -4 7 -3 35.70 2.60 -4 7 -3 42.30 7.50 -5 7 -3 9.00 1.70 -5 7 -3 13.00 5.80 -5 7 -3 7.60 2.80 -5 7 -3 9.40 1.90 -6 7 -3 20.00 6.70 -6 7 -3 18.20 2.30 -6 7 -3 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4.60 2 5 -4 68.49 3.90 -2 -5 4 75.19 4.60 -2 -5 4 71.89 3.80 1 5 -4 35.40 3.70 1 5 -4 34.80 3.00 1 5 -4 33.40 2.80 -1 -5 4 40.70 3.40 0 5 -4 108.99 5.70 0 5 -4 115.39 5.10 0 5 -4 111.99 6.60 0 -5 4 99.99 5.30 -1 5 -4 24.30 2.70 -1 5 -4 22.00 2.40 -1 5 -4 25.90 4.10 -2 5 -4 96.89 4.40 -2 5 -4 86.19 4.20 -2 5 -4 77.59 6.70 -2 5 -4 81.19 4.80 -3 5 -4 20.00 4.30 -3 5 -4 21.40 2.60 -3 5 -4 28.60 2.70 -3 5 -4 24.70 2.50 -4 5 -4 70.59 4.40 -4 5 -4 69.69 6.80 -4 5 -4 66.69 3.90 -5 5 -4 68.09 7.50 -5 5 -4 62.59 4.10 -5 5 -4 65.89 4.20 -6 5 -4 31.10 3.40 -6 5 -4 29.20 6.10 -6 5 -4 30.30 3.20 -7 5 -4 38.90 3.90 -7 5 -4 35.50 3.30 -7 5 -4 35.90 3.30 -7 5 -4 43.50 7.60 -8 5 -4 48.80 3.60 -8 5 -4 48.30 8.80 -8 5 -4 45.60 4.30 -8 5 -4 49.50 3.60 -9 5 -4 1.60 5.90 -9 5 -4 1.20 2.80 -9 5 -4 1.20 1.70 -9 5 -4 2.20 1.70 -10 5 -4 2.90 1.50 -10 5 -4 6.20 6.70 -10 5 -4 1.90 1.70 -10 5 -4 2.90 3.00 -11 5 -4 11.80 6.80 -11 5 -4 5.30 3.30 -11 5 -4 5.90 1.40 -11 5 -4 2.70 1.20 -12 5 -4 17.30 9.40 -12 5 -4 7.80 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47.30 5.20 11 2 -10 11.70 2.80 11 2 -10 11.50 3.50 -11 -2 10 16.60 4.20 10 2 -10 142.89 8.00 10 2 -10 141.99 8.10 10 2 -10 143.09 7.30 -10 -2 10 131.59 8.20 -10 -2 10 135.59 7.30 9 2 -10 91.99 5.70 9 2 -10 93.09 5.80 9 2 -10 90.69 6.30 -9 -2 10 90.99 6.80 -9 -2 10 90.59 6.10 8 2 -10 134.39 7.40 8 2 -10 125.29 7.40 -8 -2 10 127.19 7.80 -8 -2 10 131.99 7.20 7 2 -10 144.49 7.70 7 2 -10 150.28 7.40 7 2 -10 135.89 7.90 -7 -2 10 136.39 7.90 -7 -2 10 141.49 7.10 6 2 -10 64.59 4.30 6 2 -10 77.09 6.20 6 2 -10 70.19 5.20 -6 -2 10 59.59 4.90 -6 -2 10 56.79 5.40 5 2 -10 73.19 4.50 5 2 -10 74.09 6.50 5 2 -10 72.99 5.20 -5 -2 10 64.69 4.80 -5 -2 10 68.69 5.70 4 2 -10 42.90 3.50 4 2 -10 50.39 4.40 4 2 -10 43.20 6.00 -4 -2 10 37.00 3.50 -4 -2 10 40.10 4.90 3 2 -10 33.10 4.00 3 2 -10 33.90 3.30 3 2 -10 38.90 6.20 -3 -2 10 38.30 4.80 2 2 -10 20.20 3.10 2 2 -10 20.20 4.80 2 2 -10 13.70 3.00 -2 -2 10 24.50 4.60 1 2 -10 52.39 4.00 1 2 -10 46.70 4.30 1 2 -10 50.69 6.60 0 2 -10 87.29 8.10 0 2 -10 90.99 5.60 0 2 -10 75.69 5.40 -1 2 -10 91.09 8.70 -1 2 -10 85.79 5.50 -1 2 -10 90.69 5.40 -2 2 -10 73.69 5.50 -2 2 -10 80.29 8.60 -2 2 -10 76.69 5.30 -3 2 -10 37.50 7.20 -3 2 -10 26.40 3.50 -3 2 -10 28.70 3.50 -4 2 -10 115.19 6.70 -4 2 -10 93.19 9.20 -4 2 -10 110.99 7.00 -5 2 -10 12.00 6.90 -5 2 -10 9.30 2.80 -5 2 -10 6.70 3.00 -6 2 -10 49.40 4.90 -6 2 -10 45.80 4.60 -6 2 -10 58.49 8.60 -7 2 -10 4.60 3.60 -7 2 -10 10.30 7.60 -7 2 -10 7.50 3.30 -8 2 -10 88.09 12.50 -8 2 -10 78.39 6.30 -8 2 -10 69.79 5.50 -9 2 -10 5.30 3.20 -9 2 -10 9.00 8.80 -9 2 -10 4.60 3.40 -10 2 -10 16.00 3.80 -10 2 -10 21.80 10.00 -10 2 -10 4.20 5.20 18 1 -10 5.50 3.50 18 1 -10 0.80 4.50 18 1 -10 6.10 3.20 -18 -1 10 -0.40 5.80 -18 -1 10 -8.20 7.80 17 1 -10 19.30 3.70 17 1 -10 10.30 5.70 17 1 -10 23.00 3.90 -17 -1 10 14.30 5.40 16 1 -10 6.60 3.40 16 1 -10 7.40 3.10 16 1 -10 5.80 4.60 -16 -1 10 -10.20 6.40 -16 -1 10 12.20 4.70 15 1 -10 58.59 5.20 15 1 -10 42.10 5.70 15 1 -10 58.99 5.40 15 1 -10 52.99 8.30 -15 -1 10 36.60 7.90 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5.50 11 -1 -18 12.30 4.60 11 -1 -18 16.40 9.20 -11 1 18 22.20 9.10 10 -1 -18 24.80 5.10 10 -1 -18 25.90 9.60 10 -1 -18 16.20 5.50 -10 1 18 44.60 9.80 9 -1 -18 -0.40 3.80 9 -1 -18 -3.50 8.50 9 -1 -18 -0.90 3.90 -9 1 18 7.40 8.40 8 -1 -18 4.50 4.00 8 -1 -18 -12.40 9.30 8 -1 -18 10.70 5.20 -8 1 18 21.70 8.30 7 -1 -18 9.10 5.20 7 -1 -18 16.60 4.40 -7 1 18 28.80 8.80 6 -1 -18 20.30 5.20 6 -1 -18 15.90 5.40 -6 1 18 25.60 9.00 5 -1 -18 15.00 5.20 5 -1 -18 9.20 5.20 -5 1 18 7.60 8.50 4 -1 -18 8.60 5.10 4 -1 -18 -9.70 8.40 4 -1 -18 5.10 5.30 -4 1 18 12.80 8.50 3 -1 -18 28.20 6.20 3 -1 -18 -1.60 11.80 3 -1 -18 20.10 5.30 -3 1 18 36.00 9.80 2 -1 -18 26.80 5.90 2 -1 -18 -2.70 11.20 2 -1 -18 20.90 5.10 -2 1 18 27.70 10.00 1 -1 -18 -0.90 3.90 1 -1 -18 2.80 5.30 1 -1 -18 11.20 5.40 1 -1 -18 -11.10 12.00 -1 1 18 6.60 7.20 0 -1 -18 0.70 13.30 0 -1 -18 11.30 4.60 0 -1 -18 15.00 6.00 0 -1 -18 3.30 5.60 0 1 18 33.00 10.40 0 1 18 5.40 4.70 12 -2 -18 -0.20 5.30 12 -2 -18 -0.70 5.60 12 -2 -18 1.30 9.60 -12 2 18 12.70 10.10 11 -2 -18 10.20 5.50 11 -2 -18 8.20 5.70 11 -2 -18 11.60 9.60 -11 2 18 22.60 10.20 10 -2 -18 4.10 5.00 10 -2 -18 4.30 9.60 10 -2 -18 10.40 5.30 -10 2 18 27.60 10.40 9 -2 -18 -5.20 9.70 9 -2 -18 3.60 5.40 9 -2 -18 19.60 5.20 -9 2 18 16.00 9.20 8 -2 -18 -5.80 9.80 8 -2 -18 13.50 5.70 8 -2 -18 20.20 5.10 -8 2 18 24.40 10.00 7 -2 -18 17.40 5.40 7 -2 -18 19.00 5.10 -7 2 18 29.80 9.30 6 -2 -18 7.90 4.70 6 -2 -18 11.80 5.50 -6 2 18 18.70 6.00 -6 2 18 26.20 9.50 5 -2 -18 17.10 5.30 5 -2 -18 17.30 5.50 -5 2 18 20.60 5.90 -5 2 18 12.90 7.10 4 -2 -18 30.90 5.90 4 -2 -18 21.20 6.00 -4 2 18 18.40 6.30 -4 2 18 39.70 10.70 3 -2 -18 13.50 4.70 3 -2 -18 7.80 5.30 -3 2 18 21.80 6.20 -3 2 18 28.00 8.90 2 -2 -18 21.20 5.40 2 -2 -18 1.20 5.10 2 -2 -18 11.20 5.60 -2 2 18 10.20 5.60 -2 2 18 17.20 9.60 1 -2 -18 3.10 5.10 1 -2 -18 8.00 5.60 1 -2 -18 1.70 5.70 -1 2 18 23.20 10.10 -1 2 18 1.50 6.00 10 -3 -18 7.30 10.80 10 -3 -18 -2.70 5.30 10 -3 -18 7.00 5.10 -10 3 18 16.30 10.40 9 -3 -18 3.90 11.10 9 -3 -18 14.80 5.60 9 -3 -18 12.90 5.60 -9 3 18 32.90 11.10 8 -3 -18 -11.20 10.70 8 -3 -18 5.20 5.00 8 -3 -18 1.70 5.10 -8 3 18 3.90 5.50 -8 3 18 2.90 8.80 7 -3 -18 22.40 5.70 7 -3 -18 27.50 5.10 -7 3 18 25.70 10.50 -7 3 18 21.40 6.40 6 -3 -18 24.10 5.60 6 -3 -18 25.60 6.10 -6 3 18 35.00 8.80 -6 3 18 22.90 6.60 5 -3 -18 9.60 5.30 5 -3 -18 5.60 5.10 -5 3 18 8.80 5.50 -5 3 18 26.40 10.20 4 -3 -18 18.20 5.40 4 -3 -18 0.80 5.60 4 -3 -18 -7.70 9.70 -4 3 18 29.60 9.40 -4 3 18 19.20 6.60 3 -3 -18 19.60 5.30 3 -3 -18 15.30 5.50 3 -3 -18 12.50 5.50 -3 3 18 28.30 10.60 -3 3 18 14.00 5.20 2 -3 -18 17.80 5.40 2 -3 -18 13.30 6.30 2 -3 -18 17.40 5.80 -2 3 18 30.30 10.30 -2 3 18 -6.40 5.90 7 -4 -18 9.40 5.00 7 -4 -18 -10.60 11.70 7 -4 -18 23.80 6.00 -7 4 18 24.70 11.30 -7 4 18 14.20 6.50 6 -4 -18 5.30 5.00 6 -4 -18 14.10 6.00 -6 4 18 2.20 7.40 -6 4 18 23.40 7.00 9 2 -19 -4.00 5.90 9 2 -19 -3.10 6.10 -9 -2 19 21.70 7.90 8 2 -19 6.20 4.50 8 2 -19 6.10 5.50 -8 -2 19 19.40 7.90 7 2 -19 5.50 6.20 7 2 -19 -4.50 5.70 -7 -2 19 16.60 7.50 6 2 -19 2.00 4.70 6 2 -19 1.80 5.80 5 2 -19 -7.40 5.00 5 2 -19 -11.60 5.70 10 1 -19 -9.50 8.20 10 1 -19 -4.00 5.60 10 1 -19 -0.70 4.40 9 1 -19 6.50 5.70 9 1 -19 -1.40 4.30 -9 -1 19 6.30 7.20 8 1 -19 -3.20 5.10 8 1 -19 -4.40 5.60 -8 -1 19 14.80 8.10 7 1 -19 5.40 6.00 7 1 -19 18.50 5.60 -7 -1 19 10.00 8.60 6 1 -19 3.40 5.80 6 1 -19 -1.80 4.40 -6 -1 19 16.20 8.60 5 1 -19 0.60 5.40 5 1 -19 1.20 5.70 -5 -1 19 16.10 8.70 4 1 -19 5.00 5.70 4 1 -19 -9.40 4.90 -4 -1 19 18.40 9.00 3 1 -19 9.10 6.20 3 1 -19 12.70 5.90 -3 -1 19 27.10 9.90 10 0 -19 -5.50 5.80 10 0 -19 0.70 5.60 10 0 -19 -1.40 9.00 -10 0 19 19.20 9.60 9 0 -19 -3.20 5.30 9 0 -19 -6.50 5.30 -9 0 19 27.60 9.00 8 0 -19 -4.50 4.10 8 0 -19 0.60 5.00 -8 0 19 13.50 9.00 7 0 -19 -5.50 5.30 7 0 -19 3.00 5.50 -7 0 19 9.30 8.30 6 0 -19 3.00 5.60 6 0 -19 -3.80 4.90 -6 0 19 7.40 8.60 5 0 -19 -4.00 5.40 5 0 -19 -2.00 5.20 -5 0 19 17.70 8.90 4 0 -19 -6.90 5.40 4 0 -19 -6.60 5.60 -4 0 19 11.60 9.40 3 0 -19 2.30 5.80 3 0 -19 2.50 5.40 -3 0 19 10.80 8.60 10 -1 -19 -2.40 5.30 10 -1 -19 -14.40 9.40 10 -1 -19 -9.40 5.70 -10 1 19 15.40 9.50 9 -1 -19 2.80 5.50 9 -1 -19 4.90 5.60 9 -1 -19 -11.60 9.90 -9 1 19 18.50 9.60 8 -1 -19 -3.50 5.00 8 -1 -19 -2.30 4.00 -8 1 19 14.80 9.10 7 -1 -19 4.90 5.50 7 -1 -19 0.20 4.00 -7 1 19 16.80 8.60 6 -1 -19 0.90 5.30 6 -1 -19 3.60 5.20 -6 1 19 14.70 9.70 5 -1 -19 -5.00 5.20 5 -1 -19 -6.00 5.50 -5 1 19 8.40 7.90 4 -1 -19 -6.70 5.10 4 -1 -19 4.20 4.20 -4 1 19 9.40 9.40 3 -1 -19 4.20 5.50 3 -1 -19 -1.90 5.80 -3 1 19 14.50 7.60 9 -2 -19 1.80 5.30 9 -2 -19 -2.50 5.40 9 -2 -19 -18.70 10.40 -9 2 19 12.40 10.50 8 -2 -19 0.10 4.10 8 -2 -19 4.10 4.40 -8 2 19 18.90 9.30 7 -2 -19 -4.30 4.80 7 -2 -19 0.70 5.70 -7 2 19 27.70 9.90 6 -2 -19 8.00 5.60 6 -2 -19 4.90 5.80 -6 2 19 19.00 9.30 5 -2 -19 4.60 5.60 5 -2 -19 -1.70 5.60 -5 2 19 0.90 4.80 -5 2 19 22.20 9.90 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 46746 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, 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 Co1 Co 0.23856(6) 0.54811(11) 0.50128(6) 0.0427(3) Uani 1 1 d . . . . . Co2 Co 0.74258(7) -0.01915(11) 0.48862(7) 0.0458(3) Uani 1 1 d . . . . . O1 O 0.2626(5) 0.3399(9) 0.5952(5) 0.0710(19) Uani 1 1 d . . . . . O2 O 0.2765(7) 0.3877(11) 0.7297(5) 0.093(3) Uani 1 1 d . . . . . O3 O 0.2456(6) 0.5676(8) 0.6328(5) 0.076(2) Uani 1 1 d . . . . . O5 O 0.1843(7) 0.7697(9) 0.4953(7) 0.098(3) Uani 1 1 d . . . . . O6 O 0.1966(8) 0.9859(10) 0.4339(9) 0.120(4) Uani 1 1 d . . . . . O7 O 0.2485(8) 0.7687(14) 0.4031(8) 0.123(4) Uani 1 1 d . . . . . N7 N 0.4167(5) 0.4825(8) 0.4706(4) 0.0428(15) Uani 1 1 d . . . . . O8 O 0.7140(7) 0.1715(10) 0.3860(6) 0.091(3) Uani 1 1 d . . . . . O9 O 0.6891(8) 0.1135(12) 0.2508(6) 0.113(3) Uani 1 1 d . . . . . O10A O 0.7078(9) -0.0608(11) 0.3538(6) 0.111(3) Uani 0.895(16) 1 d . . P A 1 O10B O 0.7078(9) -0.0608(11) 0.3538(6) 0.111(3) Uani 0.105(16) 1 d . . P A 2 O11A O 0.7863(16) -0.2547(14) 0.4884(10) 0.155(8) Uani 0.895(16) 1 d . . P A 1 O11B O 0.716(10) -0.275(10) 0.480(7) 0.155(8) Uani 0.105(16) 1 d D . P A 2 O12 O 0.7962(8) -0.4460(9) 0.5733(9) 0.120(4) Uani 1 1 d D . . . . O13A O 0.7589(8) -0.2159(13) 0.5993(9) 0.117(5) Uani 0.895(16) 1 d . . P A 1 O13B O 0.829(6) -0.204(10) 0.599(6) 0.117(5) Uani 0.105(16) 1 d D . P A 2 N1 N 0.1077(4) 0.3458(8) 0.3555(4) 0.0453(15) Uani 1 1 d . . . . . N2 N 0.1025(5) 0.4462(8) 0.4205(5) 0.0484(16) Uani 1 1 d . . . . . N3 N 0.2069(5) 0.2326(7) 0.2913(5) 0.0446(15) Uani 1 1 d . . . . . O4 O 0.3172(4) 0.1246(7) 0.2461(4) 0.0583(15) Uani 1 1 d . . . . . N5 N 0.3700(5) 0.3036(8) 0.3525(4) 0.0465(15) Uani 1 1 d . . . . . N6 N 0.7550(4) 0.1300(9) 0.5926(5) 0.0462(17) Uani 1 1 d . . . . . N8 N 0.5996(5) 0.0064(8) 0.4903(5) 0.0446(15) Uani 1 1 d . . . . . N9 N 0.6861(5) 0.2611(8) 0.6770(5) 0.0444(15) Uani 1 1 d . . . . . N10 N 0.9091(4) 0.1640(8) 0.6112(5) 0.0479(16) Uani 1 1 d . . . . . C3 C 0.4683(6) 0.6271(10) 0.5862(5) 0.048(2) Uani 1 1 d . . . . . C4 C 0.4675(7) 0.7193(12) 0.6629(6) 0.065(2) Uani 1 1 d . . . . . H4A H 0.5034 0.8125 0.6678 0.098 Uiso 1 1 calc R U . . . H4B H 0.4946 0.6590 0.7160 0.098 Uiso 1 1 calc R U . . . H4C H 0.4040 0.7459 0.6545 0.098 Uiso 1 1 calc R U . . . C5 C 0.5457(6) 0.5927(11) 0.5616(6) 0.057(2) Uani 1 1 d . . . . . H5 H 0.6073 0.6259 0.5902 0.068 Uiso 1 1 calc R U . . . C6 C 0.5123(6) 0.5021(11) 0.4885(6) 0.047(2) Uani 1 1 d . . . . . C8 C 0.3478(5) 0.3945(9) 0.4059(5) 0.0433(18) Uani 1 1 d . . . . . C9 C 0.1957(6) 0.3278(10) 0.3508(6) 0.0463(19) Uani 1 1 d . . . . . C10 C 0.0125(6) 0.4415(10) 0.4118(7) 0.054(2) Uani 1 1 d . . . . . C11 C -0.0391(6) 0.3441(10) 0.3422(7) 0.062(2) Uani 1 1 d . . . . . H11 H -0.1031 0.3243 0.3233 0.074 Uiso 1 1 calc R U . . . C12 C 0.0217(6) 0.2824(10) 0.3063(7) 0.059(2) Uani 1 1 d . . . . . C13 C 0.0051(7) 0.1717(13) 0.2321(8) 0.086(4) Uani 1 1 d . . . . . H13A H -0.0599 0.1422 0.2086 0.130 Uiso 1 1 calc R U . . . H13B H 0.0433 0.0810 0.2532 0.130 Uiso 1 1 calc R U . . . H13C H 0.0212 0.2203 0.1865 0.130 Uiso 1 1 calc R U . . . C14 C -0.0194(8) 0.5356(12) 0.4716(8) 0.070(3) Uani 1 1 d . . . . . H14A H -0.0601 0.6170 0.4385 0.104 Uiso 1 1 calc R U . . . H14B H 0.0340 0.5803 0.5174 0.104 Uiso 1 1 calc R U . . . H14C H -0.0529 0.4704 0.4977 0.104 Uiso 1 1 calc R U . . . O14 O 0.7844(4) 0.4101(7) 0.7904(4) 0.0598(15) Uani 1 1 d . . . . . C15 C 0.2954(7) 0.2226(9) 0.2970(6) 0.050(2) Uani 1 1 d . . . . . N15 N 0.2637(6) 0.4301(11) 0.6556(6) 0.064(2) Uani 1 1 d . . . . . C16 C 0.2403(8) 0.0263(11) 0.1894(8) 0.071(3) Uani 1 1 d . . . . . H16A H 0.1933 0.0902 0.1475 0.106 Uiso 1 1 calc R U . . . H16B H 0.2131 -0.0290 0.2252 0.106 Uiso 1 1 calc R U . . . H16C H 0.2642 -0.0466 0.1583 0.106 Uiso 1 1 calc R U . . . C17 C 0.5612(7) 0.4332(12) 0.4336(7) 0.064(2) Uani 1 1 d . . . . . H17A H 0.5422 0.4864 0.3779 0.095 Uiso 1 1 calc R U . . . H17B H 0.5452 0.3251 0.4236 0.095 Uiso 1 1 calc R U . . . H17C H 0.6279 0.4435 0.4638 0.095 Uiso 1 1 calc R U . . . N18 N 0.2097(6) 0.8471(10) 0.4423(6) 0.070(2) Uani 1 1 d . . . . . C19 C 0.6837(5) 0.1656(9) 0.6146(5) 0.0422(17) Uani 1 1 d . . . . . C20 C 0.5108(5) 0.0993(10) 0.5657(6) 0.050(2) Uani 1 1 d . . . . . C21 C 0.4876(6) 0.1793(12) 0.6355(7) 0.064(2) Uani 1 1 d . . . . . H21A H 0.4984 0.2888 0.6333 0.095 Uiso 1 1 calc R U . . . H21B H 0.5264 0.1393 0.6923 0.095 Uiso 1 1 calc R U . . . H21C H 0.4228 0.1616 0.6259 0.095 Uiso 1 1 calc R U . . . C22 C 0.4556(7) 0.0142(11) 0.4951(7) 0.056(3) Uani 1 1 d . . . . . H22 H 0.3917 -0.0038 0.4793 0.068 Uiso 1 1 calc R U . . . C23 C 0.5115(6) -0.0415(11) 0.4502(6) 0.055(2) Uani 1 1 d . . . . . C24 C 0.4854(7) -0.1379(13) 0.3681(7) 0.069(3) Uani 1 1 d . . . . . H24A H 0.4516 -0.0751 0.3176 0.103 Uiso 1 1 calc R U . . . H24B H 0.4466 -0.2230 0.3718 0.103 Uiso 1 1 calc R U . . . H24C H 0.5413 -0.1775 0.3623 0.103 Uiso 1 1 calc R U . . . C25 C 0.7719(5) 0.3151(9) 0.7232(5) 0.0430(18) Uani 1 1 d . . . . . N26 N 0.8510(5) 0.2834(8) 0.7100(4) 0.0494(16) Uani 1 1 d . . . . . C27 C 0.8367(5) 0.1945(9) 0.6418(5) 0.0433(18) Uani 1 1 d . . . . . N28 N 0.8888(5) 0.0640(8) 0.5396(5) 0.0516(18) Uani 1 1 d . . . . . C29 C 0.9638(7) 0.0623(10) 0.5194(7) 0.059(2) Uani 1 1 d . . . . . N29 N 0.5993(4) 0.0941(8) 0.5610(4) 0.0441(15) Uani 1 1 d . . . . . C30 C 0.9677(9) -0.0323(12) 0.4447(9) 0.082(4) Uani 1 1 d . . . . . H30A H 0.9261 0.0111 0.3898 0.123 Uiso 1 1 calc R U . . . H30B H 0.9491 -0.1370 0.4502 0.123 Uiso 1 1 calc R U . . . H30C H 1.0307 -0.0322 0.4456 0.123 Uiso 1 1 calc R U . . . N30 N 0.2619(4) 0.4093(8) 0.4104(4) 0.0411(14) Uani 1 1 d . . . . . C31 C 1.0341(6) 0.1588(10) 0.5782(8) 0.065(3) Uani 1 1 d . . . . . H31 H 1.0936 0.1764 0.5775 0.078 Uiso 1 1 calc R U . . . N31 N 0.3910(5) 0.5614(8) 0.5319(5) 0.0465(16) Uani 1 1 d . . . . . C32 C 0.9987(6) 0.2206(11) 0.6356(7) 0.061(2) Uani 1 1 d . . . . . C33 C 1.0416(7) 0.3319(16) 0.7113(9) 0.089(4) Uani 1 1 d . . . . . H33A H 1.1039 0.3588 0.7155 0.133 Uiso 1 1 calc R U . . . H33B H 1.0445 0.2837 0.7654 0.133 Uiso 1 1 calc R U . . . H33C H 1.0039 0.4241 0.7012 0.133 Uiso 1 1 calc R U . . . C34 C 0.7039(7) 0.4550(11) 0.8108(7) 0.062(2) Uani 1 1 d . . . . . H34A H 0.6595 0.5081 0.7609 0.093 Uiso 1 1 calc R U . . . H34B H 0.7237 0.5227 0.8612 0.093 Uiso 1 1 calc R U . . . H34C H 0.6752 0.3639 0.8236 0.093 Uiso 1 1 calc R U . . . N35 N 0.7051(6) 0.0771(10) 0.3281(6) 0.062(2) Uani 1 1 d . . . . . N36A N 0.7817(6) -0.3121(10) 0.5552(7) 0.070(2) Uani 0.895(16) 1 d . . P A 1 N36B N 0.7817(6) -0.3121(10) 0.5552(7) 0.070(2) Uani 0.105(16) 1 d . . P A 2 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 Co1 0.0437(6) 0.0452(5) 0.0401(6) -0.0019(5) 0.0168(4) 0.0013(5) Co2 0.0520(6) 0.0437(5) 0.0441(7) -0.0030(5) 0.0206(5) 0.0008(6) O1 0.093(5) 0.059(4) 0.066(5) 0.006(4) 0.036(4) 0.006(4) O2 0.139(7) 0.109(6) 0.037(4) -0.003(4) 0.039(4) -0.038(5) O3 0.139(7) 0.046(4) 0.055(4) 0.008(3) 0.050(4) 0.021(4) O5 0.139(7) 0.057(4) 0.111(7) 0.027(5) 0.061(6) 0.014(5) O6 0.126(8) 0.067(5) 0.177(12) 0.059(6) 0.067(8) 0.022(5) O7 0.105(7) 0.133(9) 0.133(9) -0.015(7) 0.046(7) 0.020(6) N7 0.044(4) 0.050(4) 0.041(4) 0.003(3) 0.024(3) -0.002(3) O8 0.156(9) 0.058(5) 0.070(5) 0.007(4) 0.056(5) 0.019(5) O9 0.156(9) 0.113(7) 0.062(6) 0.030(5) 0.030(5) 0.031(7) O10A 0.186(11) 0.072(6) 0.066(6) -0.012(5) 0.038(6) -0.002(6) O10B 0.186(11) 0.072(6) 0.066(6) -0.012(5) 0.038(6) -0.002(6) O11A 0.33(2) 0.057(6) 0.099(8) 0.001(6) 0.098(13) -0.003(9) O11B 0.33(2) 0.057(6) 0.099(8) 0.001(6) 0.098(13) -0.003(9) O12 0.122(8) 0.058(5) 0.168(11) 0.040(6) 0.039(7) 0.020(5) O13A 0.110(9) 0.094(7) 0.188(13) -0.025(8) 0.102(9) 0.003(6) O13B 0.110(9) 0.094(7) 0.188(13) -0.025(8) 0.102(9) 0.003(6) N1 0.039(3) 0.048(4) 0.045(4) -0.003(3) 0.011(3) 0.001(3) N2 0.045(4) 0.050(4) 0.048(4) 0.008(3) 0.015(3) 0.004(3) N3 0.057(4) 0.037(3) 0.045(4) -0.001(3) 0.025(3) -0.001(3) O4 0.079(4) 0.046(3) 0.057(4) -0.011(3) 0.033(3) -0.004(3) N5 0.057(4) 0.046(4) 0.044(4) 0.001(3) 0.028(3) 0.000(3) N6 0.032(3) 0.048(4) 0.055(4) -0.008(3) 0.011(3) -0.001(3) N8 0.041(4) 0.052(4) 0.036(4) 0.002(3) 0.008(3) -0.004(3) N9 0.046(4) 0.048(4) 0.038(4) 0.004(3) 0.014(3) 0.006(3) N10 0.042(4) 0.050(4) 0.052(4) 0.001(3) 0.017(3) 0.001(3) C3 0.052(5) 0.053(5) 0.039(5) 0.005(4) 0.015(4) -0.012(4) C4 0.070(6) 0.075(7) 0.050(5) -0.004(5) 0.023(5) -0.012(5) C5 0.048(5) 0.070(6) 0.055(5) 0.004(4) 0.021(4) -0.016(4) C6 0.045(5) 0.052(5) 0.050(6) 0.007(4) 0.025(4) 0.001(4) C8 0.045(4) 0.043(4) 0.040(4) 0.009(3) 0.014(3) 0.000(3) C9 0.044(4) 0.045(5) 0.044(5) 0.013(4) 0.010(4) 0.000(4) C10 0.042(4) 0.044(5) 0.068(6) 0.013(4) 0.013(4) 0.009(3) C11 0.040(4) 0.050(5) 0.081(7) 0.002(5) 0.006(4) 0.001(4) C12 0.053(5) 0.048(5) 0.063(6) -0.002(4) 0.007(4) 0.004(4) C13 0.065(6) 0.078(7) 0.099(9) -0.039(7) 0.010(6) -0.005(5) C14 0.064(6) 0.057(6) 0.090(8) -0.002(6) 0.031(6) 0.007(5) O14 0.068(4) 0.061(4) 0.055(4) -0.018(3) 0.028(3) -0.015(3) C15 0.077(6) 0.036(4) 0.041(5) 0.003(3) 0.027(4) -0.002(4) N15 0.059(5) 0.067(5) 0.065(6) -0.021(5) 0.023(4) -0.022(4) C16 0.091(8) 0.055(6) 0.074(7) -0.016(5) 0.040(6) -0.007(5) C17 0.066(6) 0.073(6) 0.066(6) -0.003(5) 0.041(5) -0.006(5) N18 0.061(5) 0.063(5) 0.076(6) 0.014(5) 0.014(4) 0.012(4) C19 0.044(4) 0.045(4) 0.037(4) 0.011(3) 0.015(3) -0.001(3) C20 0.043(4) 0.056(5) 0.050(5) 0.014(4) 0.018(4) 0.002(4) C21 0.052(5) 0.071(6) 0.081(7) -0.001(5) 0.041(5) -0.002(4) C22 0.036(4) 0.064(6) 0.058(6) 0.018(5) 0.005(4) -0.006(4) C23 0.046(5) 0.059(5) 0.046(5) 0.013(4) 0.003(4) -0.004(4) C24 0.069(6) 0.074(6) 0.051(6) -0.009(5) 0.007(5) -0.009(5) C25 0.043(4) 0.043(4) 0.040(4) 0.004(3) 0.012(3) -0.002(3) N26 0.048(4) 0.050(4) 0.043(4) -0.002(3) 0.009(3) -0.007(3) C27 0.036(4) 0.046(4) 0.045(5) 0.006(4) 0.011(3) 0.006(3) N28 0.051(4) 0.046(4) 0.065(5) 0.005(4) 0.030(4) 0.003(3) C29 0.057(5) 0.048(5) 0.083(7) 0.013(5) 0.037(5) 0.007(4) N29 0.038(3) 0.053(4) 0.041(4) 0.000(3) 0.013(3) -0.003(3) C30 0.093(8) 0.064(6) 0.122(11) 0.002(6) 0.078(8) 0.011(6) N30 0.040(3) 0.045(4) 0.035(4) -0.003(3) 0.010(3) -0.004(3) C31 0.047(5) 0.056(5) 0.099(8) 0.023(5) 0.035(5) 0.010(4) N31 0.047(4) 0.054(4) 0.041(4) 0.000(3) 0.019(3) -0.008(3) C32 0.044(5) 0.058(5) 0.075(6) 0.010(5) 0.014(5) 0.003(4) C33 0.047(5) 0.117(9) 0.097(9) -0.033(7) 0.020(5) -0.024(6) C34 0.072(6) 0.058(5) 0.061(6) -0.011(5) 0.031(5) 0.011(4) N35 0.081(6) 0.060(5) 0.055(6) 0.014(4) 0.038(4) 0.012(4) N36A 0.058(5) 0.059(5) 0.080(7) 0.011(5) 0.011(4) -0.004(4) N36B 0.058(5) 0.059(5) 0.080(7) 0.011(5) 0.011(4) -0.004(4) 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' Co Co 0.3494 0.9721 '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 N30 Co1 O5 133.1(3) . . N30 Co1 O3 145.9(3) . . O5 Co1 O3 81.0(3) . . N30 Co1 N2 73.4(3) . . O5 Co1 N2 93.6(3) . . O3 Co1 N2 108.6(3) . . N30 Co1 N31 74.7(3) . . O5 Co1 N31 109.7(3) . . O3 Co1 N31 96.7(3) . . N2 Co1 N31 148.1(3) . . N30 Co1 O1 89.9(3) . . O5 Co1 O1 135.5(3) . . O3 Co1 O1 56.7(3) . . N2 Co1 O1 88.3(3) . . N31 Co1 O1 89.7(3) . . N6 Co2 O10B 150.8(3) . . N6 Co2 O10A 150.8(3) . . N6 Co2 O11A 130.9(5) . . O10A Co2 O11A 78.1(5) . . N6 Co2 N28 73.7(3) . . O10B Co2 N28 106.2(4) . . O10A Co2 N28 106.2(4) . . O11A Co2 N28 91.9(6) . . N6 Co2 N8 73.7(3) . . O10B Co2 N8 99.4(4) . . O10A Co2 N8 99.4(4) . . O11A Co2 N8 114.0(6) . . N28 Co2 N8 146.9(3) . . N6 Co2 O11B 128(3) . . O10B Co2 O11B 78(3) . . N28 Co2 O11B 119(4) . . N8 Co2 O11B 87(4) . . N6 Co2 O8 95.0(3) . . O10B Co2 O8 56.3(3) . . O10A Co2 O8 56.3(3) . . O11A Co2 O8 131.4(4) . . N28 Co2 O8 86.2(3) . . N8 Co2 O8 90.9(3) . . O11B Co2 O8 133(3) . . N6 Co2 O13B 87(2) . . O10B Co2 O13B 122(2) . . N28 Co2 O13B 74(2) . . N8 Co2 O13B 109(2) . . O11B Co2 O13B 55(3) . . O8 Co2 O13B 159(2) . . N15 O1 Co1 89.5(6) . . N15 O3 Co1 98.6(6) . . N18 O5 Co1 107.3(7) . . N31 N7 C6 110.5(7) . . N31 N7 C8 118.0(6) . . C6 N7 C8 131.4(7) . . N35 O8 Co2 91.3(6) . . N35 O10A Co2 98.8(7) . . N35 O10B Co2 98.8(7) . . N36A O11A Co2 105.1(10) . . N36B O11B Co2 97(5) . . N36B O13B Co2 92(5) . . C12 N1 C9 131.7(7) . . C12 N1 N2 112.1(7) . . C9 N1 N2 116.3(6) . . C10 N2 N1 104.5(7) . . C10 N2 Co1 142.3(7) . . N1 N2 Co1 113.2(5) . . C9 N3 C15 113.2(7) . . C15 O4 C16 115.8(8) . . C8 N5 C15 112.8(7) . . C19 N6 C27 115.6(7) . . C19 N6 Co2 122.4(5) . . C27 N6 Co2 121.9(5) . . C23 N8 N29 105.2(7) . . C23 N8 Co2 142.6(7) . . N29 N8 Co2 112.1(4) . . C19 N9 C25 113.4(7) . . C32 N10 N28 110.6(7) . . C32 N10 C27 132.2(8) . . N28 N10 C27 117.0(6) . . N31 C3 C5 111.2(8) . . N31 C3 C4 120.6(8) . . C5 C3 C4 128.2(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 . . C6 C5 C3 106.6(8) . . C6 C5 H5 126.7 . . C3 C5 H5 126.7 . . C5 C6 N7 106.1(8) . . C5 C6 C17 130.3(8) . . N7 C6 C17 123.5(8) . . N5 C8 N30 126.4(7) . . N5 C8 N7 120.8(7) . . N30 C8 N7 112.7(7) . . N30 C9 N3 126.4(8) . . N30 C9 N1 113.5(8) . . N3 C9 N1 120.0(7) . . N2 C10 C11 110.8(9) . . N2 C10 C14 119.7(9) . . C11 C10 C14 129.4(9) . . C12 C11 C10 107.8(8) . . C12 C11 H11 126.1 . . C10 C11 H11 126.1 . . N1 C12 C11 104.7(8) . . N1 C12 C13 124.5(9) . . C11 C12 C13 130.8(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 . . C10 C14 H14A 109.5 . . C10 C14 H14B 109.5 . . H14A C14 H14B 109.5 . . C10 C14 H14C 109.5 . . H14A C14 H14C 109.5 . . H14B C14 H14C 109.5 . . C25 O14 C34 118.8(7) . . O4 C15 N3 119.4(8) . . O4 C15 N5 113.8(8) . . N3 C15 N5 126.8(7) . . O2 N15 O3 121.6(9) . . O2 N15 O1 123.4(10) . . O3 N15 O1 114.9(9) . . O4 C16 H16A 109.5 . . O4 C16 H16B 109.5 . . H16A C16 H16B 109.5 . . O4 C16 H16C 109.5 . . H16A C16 H16C 109.5 . . H16B C16 H16C 109.5 . . C6 C17 H17A 109.5 . . C6 C17 H17B 109.5 . . H17A C17 H17B 109.5 . . C6 C17 H17C 109.5 . . H17A C17 H17C 109.5 . . H17B C17 H17C 109.5 . . O6 N18 O7 125.2(12) . . O6 N18 O5 121.3(11) . . O7 N18 O5 113.5(10) . . N9 C19 N6 125.5(7) . . N9 C19 N29 121.0(7) . . N6 C19 N29 113.5(7) . . C22 C20 N29 104.5(8) . . C22 C20 C21 130.3(8) . . N29 C20 C21 125.2(8) . . C20 C21 H21A 109.5 . . C20 C21 H21B 109.5 . . H21A C21 H21B 109.5 . . C20 C21 H21C 109.5 . . H21A C21 H21C 109.5 . . H21B C21 H21C 109.5 . . C20 C22 C23 108.4(8) . . C20 C22 H22 125.8 . . C23 C22 H22 125.8 . . N8 C23 C22 110.2(9) . . N8 C23 C24 119.8(9) . . C22 C23 C24 130.0(8) . . C23 C24 H24A 109.5 . . C23 C24 H24B 109.5 . . H24A C24 H24B 109.5 . . C23 C24 H24C 109.5 . . H24A C24 H24C 109.5 . . H24B C24 H24C 109.5 . . O14 C25 N9 119.5(7) . . O14 C25 N26 113.4(7) . . N9 C25 N26 127.1(8) . . C27 N26 C25 112.5(7) . . N26 C27 N6 125.6(7) . . N26 C27 N10 120.7(7) . . N6 C27 N10 113.6(7) . . C29 N28 N10 105.9(7) . . C29 N28 Co2 140.2(7) . . N10 N28 Co2 113.4(5) . . N28 C29 C31 110.1(9) . . N28 C29 C30 121.3(9) . . C31 C29 C30 128.6(9) . . N8 N29 C20 111.8(6) . . N8 N29 C19 118.0(6) . . C20 N29 C19 130.2(7) . . C29 C30 H30A 109.5 . . C29 C30 H30B 109.5 . . H30A C30 H30B 109.5 . . C29 C30 H30C 109.5 . . H30A C30 H30C 109.5 . . H30B C30 H30C 109.5 . . C9 N30 C8 114.2(7) . . C9 N30 Co1 123.6(6) . . C8 N30 Co1 122.2(5) . . C32 C31 C29 107.4(8) . . C32 C31 H31 126.3 . . C29 C31 H31 126.3 . . C3 N31 N7 105.6(7) . . C3 N31 Co1 142.2(6) . . N7 N31 Co1 112.0(5) . . C31 C32 N10 106.0(9) . . C31 C32 C33 130.6(9) . . N10 C32 C33 123.4(9) . . C32 C33 H33A 109.5 . . C32 C33 H33B 109.5 . . H33A C33 H33B 109.5 . . C32 C33 H33C 109.5 . . H33A C33 H33C 109.5 . . H33B C33 H33C 109.5 . . O14 C34 H34A 109.5 . . O14 C34 H34B 109.5 . . H34A C34 H34B 109.5 . . O14 C34 H34C 109.5 . . H34A C34 H34C 109.5 . . H34B C34 H34C 109.5 . . O8 N35 O9 123.2(10) . . O8 N35 O10B 113.2(9) . . O9 N35 O10B 123.5(10) . . O8 N35 O10A 113.2(9) . . O9 N35 O10A 123.5(10) . . O12 N36A O11A 123.0(13) . . O12 N36A O13A 125.2(13) . . O11A N36A O13A 111.8(11) . . O12 N36B O13B 125(4) . . O12 N36B O11B 118(4) . . O13B N36B O11B 116(4) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Co1 N30 2.034(7) . Co1 O5 2.069(8) . Co1 O3 2.111(7) . Co1 N2 2.195(7) . Co1 N31 2.206(7) . Co1 O1 2.295(8) . Co2 N6 2.076(7) . Co2 O10B 2.089(9) . Co2 O10A 2.089(9) . Co2 O11A 2.136(13) . Co2 N28 2.202(8) . Co2 N8 2.216(7) . Co2 O11B 2.23(9) . Co2 O8 2.265(8) . Co2 O13B 2.40(9) . O1 N15 1.249(11) . O2 N15 1.204(12) . O3 N15 1.240(11) . O5 N18 1.260(12) . O6 N18 1.211(11) . O7 N18 1.225(13) . N7 N31 1.381(10) . N7 C6 1.395(11) . N7 C8 1.406(10) . O8 N35 1.213(11) . O9 N35 1.230(11) . O10A N35 1.254(12) . O10B N35 1.254(12) . O11A N36A 1.220(15) . O11B N36B 1.30(9) . O12 N36B 1.189(11) . O12 N36A 1.189(11) . O13A N36A 1.229(13) . O13B N36B 1.23(8) . N1 C12 1.376(11) . N1 C9 1.390(10) . N1 N2 1.392(10) . N2 C10 1.336(11) . N3 C9 1.327(11) . N3 C15 1.330(11) . O4 C15 1.310(10) . O4 C16 1.467(12) . N5 C8 1.305(10) . N5 C15 1.358(11) . N6 C19 1.308(10) . N6 C27 1.333(10) . N8 C23 1.330(11) . N8 N29 1.379(10) . N9 C19 1.297(10) . N9 C25 1.334(10) . N10 C32 1.371(11) . N10 N28 1.388(10) . N10 C27 1.402(10) . C3 N31 1.315(10) . C3 C5 1.418(12) . C3 C4 1.483(13) . C4 H4A 0.9600 . C4 H4B 0.9600 . C4 H4C 0.9600 . C5 C6 1.355(14) . C5 H5 0.9300 . C6 C17 1.489(12) . C8 N30 1.353(10) . C9 N30 1.317(11) . C10 C11 1.397(13) . C10 C14 1.483(14) . C11 C12 1.379(14) . C11 H11 0.9300 . C12 C13 1.485(14) . C13 H13A 0.9600 . C13 H13B 0.9600 . C13 H13C 0.9600 . C14 H14A 0.9600 . C14 H14B 0.9600 . C14 H14C 0.9600 . O14 C25 1.322(10) . O14 C34 1.445(11) . C16 H16A 0.9600 . C16 H16B 0.9600 . C16 H16C 0.9600 . C17 H17A 0.9600 . C17 H17B 0.9600 . C17 H17C 0.9600 . C19 N29 1.408(10) . C20 C22 1.361(14) . C20 N29 1.388(10) . C20 C21 1.481(13) . C21 H21A 0.9600 . C21 H21B 0.9600 . C21 H21C 0.9600 . C22 C23 1.403(15) . C22 H22 0.9300 . C23 C24 1.495(14) . C24 H24A 0.9600 . C24 H24B 0.9600 . C24 H24C 0.9600 . C25 N26 1.337(10) . N26 C27 1.299(11) . N28 C29 1.310(11) . C29 C31 1.415(15) . C29 C30 1.484(16) . C30 H30A 0.9600 . C30 H30B 0.9600 . C30 H30C 0.9600 . C31 C32 1.352(14) . C31 H31 0.9300 . C32 C33 1.505(15) . C33 H33A 0.9600 . C33 H33B 0.9600 . C33 H33C 0.9600 . C34 H34A 0.9600 . C34 H34B 0.9600 . C34 H34C 0.9600 . 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 C12 N1 N2 C10 1.2(9) . . . . C9 N1 N2 C10 -179.3(7) . . . . C12 N1 N2 Co1 179.4(5) . . . . C9 N1 N2 Co1 -1.0(8) . . . . N31 C3 C5 C6 0.3(10) . . . . C4 C3 C5 C6 178.5(9) . . . . C3 C5 C6 N7 -0.4(10) . . . . C3 C5 C6 C17 179.1(9) . . . . N31 N7 C6 C5 0.5(9) . . . . C8 N7 C6 C5 -176.6(8) . . . . N31 N7 C6 C17 -179.2(8) . . . . C8 N7 C6 C17 3.8(14) . . . . C15 N5 C8 N30 1.5(11) . . . . C15 N5 C8 N7 177.3(7) . . . . N31 N7 C8 N5 -172.2(7) . . . . C6 N7 C8 N5 4.7(13) . . . . N31 N7 C8 N30 4.1(9) . . . . C6 N7 C8 N30 -179.0(8) . . . . C15 N3 C9 N30 0.9(11) . . . . C15 N3 C9 N1 -177.4(7) . . . . C12 N1 C9 N30 -179.9(8) . . . . N2 N1 C9 N30 0.6(10) . . . . C12 N1 C9 N3 -1.4(13) . . . . N2 N1 C9 N3 179.2(7) . . . . N1 N2 C10 C11 -1.4(9) . . . . Co1 N2 C10 C11 -178.7(7) . . . . N1 N2 C10 C14 179.7(8) . . . . Co1 N2 C10 C14 2.4(14) . . . . N2 C10 C11 C12 1.1(11) . . . . C14 C10 C11 C12 179.9(9) . . . . C9 N1 C12 C11 -180.0(8) . . . . N2 N1 C12 C11 -0.6(10) . . . . C9 N1 C12 C13 0.4(15) . . . . N2 N1 C12 C13 179.8(9) . . . . C10 C11 C12 N1 -0.3(10) . . . . C10 C11 C12 C13 179.4(11) . . . . C16 O4 C15 N3 -3.3(11) . . . . C16 O4 C15 N5 175.8(7) . . . . C9 N3 C15 O4 175.4(7) . . . . C9 N3 C15 N5 -3.5(11) . . . . C8 N5 C15 O4 -176.6(7) . . . . C8 N5 C15 N3 2.4(11) . . . . Co1 O3 N15 O2 178.0(8) . . . . Co1 O3 N15 O1 -5.5(9) . . . . Co1 O1 N15 O2 -178.6(9) . . . . Co1 O1 N15 O3 5.0(8) . . . . Co1 O5 N18 O6 -171.5(9) . . . . Co1 O5 N18 O7 7.5(12) . . . . C25 N9 C19 N6 -4.5(11) . . . . C25 N9 C19 N29 178.1(7) . . . . C27 N6 C19 N9 2.7(12) . . . . Co2 N6 C19 N9 -177.9(6) . . . . C27 N6 C19 N29 -179.7(7) . . . . Co2 N6 C19 N29 -0.3(9) . . . . N29 C20 C22 C23 0.6(9) . . . . C21 C20 C22 C23 -178.1(9) . . . . N29 N8 C23 C22 -0.4(9) . . . . Co2 N8 C23 C22 173.5(7) . . . . N29 N8 C23 C24 178.5(8) . . . . Co2 N8 C23 C24 -7.6(15) . . . . C20 C22 C23 N8 -0.2(10) . . . . C20 C22 C23 C24 -178.9(9) . . . . C34 O14 C25 N9 -1.1(11) . . . . C34 O14 C25 N26 179.2(7) . . . . C19 N9 C25 O14 -178.1(7) . . . . C19 N9 C25 N26 1.6(11) . . . . O14 C25 N26 C27 -177.6(7) . . . . N9 C25 N26 C27 2.7(12) . . . . C25 N26 C27 N6 -4.8(12) . . . . C25 N26 C27 N10 172.3(7) . . . . C19 N6 C27 N26 2.5(12) . . . . Co2 N6 C27 N26 -176.9(6) . . . . C19 N6 C27 N10 -174.8(7) . . . . Co2 N6 C27 N10 5.9(10) . . . . C32 N10 C27 N26 -5.7(13) . . . . N28 N10 C27 N26 178.1(7) . . . . C32 N10 C27 N6 171.7(9) . . . . N28 N10 C27 N6 -4.5(10) . . . . C32 N10 N28 C29 -1.4(9) . . . . C27 N10 N28 C29 175.6(7) . . . . C32 N10 N28 Co2 -175.5(6) . . . . C27 N10 N28 Co2 1.5(8) . . . . N10 N28 C29 C31 1.0(10) . . . . Co2 N28 C29 C31 172.5(7) . . . . N10 N28 C29 C30 -179.6(9) . . . . Co2 N28 C29 C30 -8.0(15) . . . . C23 N8 N29 C20 0.8(9) . . . . Co2 N8 N29 C20 -175.2(5) . . . . C23 N8 N29 C19 -177.8(7) . . . . Co2 N8 N29 C19 6.2(8) . . . . C22 C20 N29 N8 -0.9(9) . . . . C21 C20 N29 N8 177.9(8) . . . . C22 C20 N29 C19 177.4(8) . . . . C21 C20 N29 C19 -3.8(13) . . . . N9 C19 N29 N8 173.5(7) . . . . N6 C19 N29 N8 -4.2(10) . . . . N9 C19 N29 C20 -4.7(12) . . . . N6 C19 N29 C20 177.6(8) . . . . N3 C9 N30 C8 2.4(12) . . . . N1 C9 N30 C8 -179.2(6) . . . . N3 C9 N30 Co1 -178.3(6) . . . . N1 C9 N30 Co1 0.1(10) . . . . N5 C8 N30 C9 -3.8(11) . . . . N7 C8 N30 C9 -179.8(7) . . . . N5 C8 N30 Co1 176.9(6) . . . . N7 C8 N30 Co1 0.9(9) . . . . N28 C29 C31 C32 -0.2(11) . . . . C30 C29 C31 C32 -179.6(10) . . . . C5 C3 N31 N7 0.0(9) . . . . C4 C3 N31 N7 -178.3(8) . . . . C5 C3 N31 Co1 -174.3(7) . . . . C4 C3 N31 Co1 7.4(14) . . . . C6 N7 N31 C3 -0.3(9) . . . . C8 N7 N31 C3 177.2(7) . . . . C6 N7 N31 Co1 175.9(5) . . . . C8 N7 N31 Co1 -6.6(8) . . . . C29 C31 C32 N10 -0.6(10) . . . . C29 C31 C32 C33 -179.3(11) . . . . N28 N10 C32 C31 1.3(10) . . . . C27 N10 C32 C31 -175.1(8) . . . . N28 N10 C32 C33 -180.0(9) . . . . C27 N10 C32 C33 3.7(16) . . . . Co2 O8 N35 O9 -178.6(10) . . . . Co2 O8 N35 O10B 5.7(10) . . . . Co2 O8 N35 O10A 5.7(10) . . . . Co2 O10B N35 O8 -6.3(11) . . . . Co2 O10B N35 O9 178.0(9) . . . . Co2 O10A N35 O8 -6.3(11) . . . . Co2 O10A N35 O9 178.0(9) . . . . Co2 O11A N36A O12 175.5(9) . . . . Co2 O11A N36A O13A -3.1(17) . . . . Co2 O13B N36B O12 173.8(15) . . . . Co2 O13B N36B O11B 0(9) . . . . Co2 O11B N36B O12 -174.2(16) . . . . Co2 O11B N36B O13B 0(10) . . . .