#------------------------------------------------------------------------------
#$Date: 2021-10-15 02:04:43 +0300 (Fri, 15 Oct 2021) $
#$Revision: 269958 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/85/7708559.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_7708559
loop_
_publ_author_name
'Peng, Min'
'Wu, Xiao-Fan'
'Wang, Li-Xin'
'Chen, Si-Huai'
'Xiang, Jing'
'Jin, Xin-Xin'
'Yiu, Shek-Man'
'Wang, Bing-Wu'
'Gao, Song'
'Lau, Tai-Chu'
_publ_section_title
;
 Slow magnetic relaxation in high-coordinate Co(II) and Fe(II) compounds
 bearing neutral tetradentate ligands.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d1dt02575a
_journal_year                    2021
_chemical_formula_sum            'C44 H52 Cl2 Co N8 O12'
_chemical_formula_weight         1014.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-08-29 deposited with the CCDC.	2021-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.512(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7880(3)
_cell_length_b                   24.1051(6)
_cell_length_c                   21.9198(6)
_cell_measurement_reflns_used    4266
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      71.6150
_cell_measurement_theta_min      7.0740
_cell_volume                     4641.8(2)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0572
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19202
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.770
_diffrn_reflns_theta_min         4.035
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    4.559
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_description       block
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     690
_refine_ls_number_reflns         8934
_refine_ls_number_restraints     380
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0449
_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/[σ²(Fo²)+(0.0497P)²+1.0493P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1048
_refine_ls_wR_factor_ref         0.1149
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6994
_reflns_number_total             8934
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02575a2.cif
_cod_data_source_block           092616a_fai
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7708559
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co -0.02473(5) 0.11809(2) 0.22619(2) 0.02304(10) Uani 1 1 d . . . . .
O1 O -0.0916(2) 0.18204(7) 0.16267(8) 0.0288(4) Uani 1 1 d . . . . .
O2 O 0.2701(2) 0.00605(9) 0.26135(10) 0.0403(5) Uani 1 1 d . . . . .
O3 O -0.25574(19) 0.12408(7) 0.27728(8) 0.0276(4) Uani 1 1 d . . . . .
O4 O 0.2359(2) 0.15365(8) 0.22102(9) 0.0333(4) Uani 1 1 d . . . . .
N1 N -0.0132(2) 0.18942(8) 0.27537(9) 0.0220(4) Uani 1 1 d . . . . .
N2 N 0.0577(2) 0.08826(9) 0.31505(9) 0.0223(4) Uani 1 1 d . . . . .
N3 N -0.1015(3) 0.27432(9) 0.14702(10) 0.0291(5) Uani 1 1 d . . . . .
H3A H -0.088137 0.307821 0.162190 0.035 Uiso 0.6 1 calc R U P A 1
H3B H -0.081919 0.307206 0.162792 0.035 Uiso 0.4 1 calc R U P B 2
N4 N 0.0585(3) -0.04472(9) 0.27251(11) 0.0334(5) Uani 1 1 d . . . . .
H4 H -0.030537 -0.047727 0.289678 0.040 Uiso 1 1 calc R U . . .
N5 N -0.1754(2) 0.05451(8) 0.19561(9) 0.0213(4) Uani 1 1 d . . . . .
N6 N 0.0968(2) 0.07638(9) 0.15761(9) 0.0232(4) Uani 1 1 d . . . . .
N7 N -0.4808(2) 0.08220(9) 0.29406(10) 0.0269(4) Uani 1 1 d . . . . .
H7 H -0.543480 0.055353 0.282946 0.032 Uiso 1 1 calc R U . . .
N8 N 0.4288(2) 0.16035(10) 0.15488(10) 0.0314(5) Uani 1 1 d . . . . .
H8 H 0.467700 0.146640 0.121509 0.038 Uiso 1 1 calc R U . . .
C1 C -0.0399(3) 0.23810(10) 0.24954(12) 0.0255(5) Uani 1 1 d . . . . .
C2 C -0.0339(3) 0.28687(11) 0.28437(14) 0.0352(6) Uani 1 1 d . . . . .
H2 H -0.050758 0.321987 0.265720 0.042 Uiso 1 1 calc R U . . .
C3 C -0.0031(4) 0.28288(12) 0.34613(14) 0.0397(7) Uani 1 1 d . . . . .
H3 H 0.000901 0.315577 0.370322 0.048 Uiso 1 1 calc R U . . .
C4 C 0.0227(3) 0.23073(12) 0.37395(13) 0.0319(6) Uani 1 1 d . . . . .
C5 C 0.0531(3) 0.22118(13) 0.43806(13) 0.0381(7) Uani 1 1 d . . . . .
H5 H 0.055471 0.251616 0.465599 0.046 Uiso 1 1 calc R U . . .
C6 C 0.0784(3) 0.16917(13) 0.45929(12) 0.0365(6) Uani 1 1 d . . . . .
H6 H 0.095207 0.163861 0.501877 0.044 Uiso 1 1 calc R U . . .
C7 C 0.0806(3) 0.12195(12) 0.41988(11) 0.0281(5) Uani 1 1 d . . . . .
C8 C 0.1167(3) 0.06771(13) 0.43898(12) 0.0339(6) Uani 1 1 d . . . . .
H8A H 0.132998 0.059841 0.481112 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1284(3) 0.02630(12) 0.39660(12) 0.0332(6) Uani 1 1 d . . . . .
H9 H 0.154077 -0.010349 0.409055 0.040 Uiso 1 1 calc R U . . .
C10 C 0.1020(3) 0.03848(11) 0.33456(11) 0.0252(5) Uani 1 1 d . . . . .
C11 C 0.0500(3) 0.12953(11) 0.35708(11) 0.0232(5) Uani 1 1 d . . . . .
C12 C 0.0174(3) 0.18458(11) 0.33509(11) 0.0238(5) Uani 1 1 d . . . . .
C13 C -0.0793(3) 0.23050(10) 0.18219(12) 0.0251(5) Uani 1 1 d . . . . .
C14 C -0.151(2) 0.2672(9) 0.0799(8) 0.029(2) Uani 0.6 1 d . U P C 1
H14A H -0.204729 0.231396 0.074663 0.035 Uiso 0.6 1 calc R U P C 1
H14B H -0.221798 0.297289 0.067925 0.035 Uiso 0.6 1 calc R U P C 1
C15 C -0.0143(19) 0.2683(7) 0.0388(11) 0.044(2) Uani 0.6 1 d . U P C 1
H15A H -0.049158 0.275869 -0.003757 0.053 Uiso 0.6 1 calc R U P C 1
H15B H 0.055307 0.298643 0.051790 0.053 Uiso 0.6 1 calc R U P C 1
C16 C 0.0691(11) 0.2144(4) 0.0412(5) 0.050(2) Uani 0.6 1 d . U P C 1
H16A H 0.001872 0.184039 0.026443 0.060 Uiso 0.6 1 calc R U P C 1
H16B H 0.102488 0.206064 0.083711 0.060 Uiso 0.6 1 calc R U P C 1
C17 C 0.2088(8) 0.2196(4) 0.0001(3) 0.080(2) Uani 0.6 1 d . U P C 1
H17A H 0.175443 0.232068 -0.040669 0.120 Uiso 0.6 1 calc R U P C 1
H17B H 0.258763 0.183395 -0.003043 0.120 Uiso 0.6 1 calc R U P C 1
H17C H 0.280547 0.246559 0.017905 0.120 Uiso 0.6 1 calc R U P C 1
C14A C -0.153(4) 0.2720(15) 0.0880(13) 0.035(4) Uani 0.4 1 d . U P C 2
H14C H -0.228818 0.301910 0.081917 0.042 Uiso 0.4 1 calc R U P C 2
H14D H -0.206997 0.236320 0.082227 0.042 Uiso 0.4 1 calc R U P C 2
C15A C -0.036(3) 0.2771(10) 0.0370(17) 0.042(3) Uani 0.4 1 d . U P C 2
H15C H 0.009548 0.314665 0.039869 0.050 Uiso 0.4 1 calc R U P C 2
H15D H -0.092397 0.275092 -0.002563 0.050 Uiso 0.4 1 calc R U P C 2
C16A C 0.0980(19) 0.2345(6) 0.0348(8) 0.056(3) Uani 0.4 1 d . U P C 2
H16C H 0.173414 0.248820 0.005917 0.067 Uiso 0.4 1 calc R U P C 2
H16D H 0.148483 0.233455 0.075666 0.067 Uiso 0.4 1 calc R U P C 2
C17A C 0.0608(14) 0.1781(5) 0.0173(5) 0.070(3) Uani 0.4 1 d . U P C 2
H17D H 0.011698 0.178051 -0.023382 0.106 Uiso 0.4 1 calc R U P C 2
H17E H -0.008641 0.162181 0.046825 0.106 Uiso 0.4 1 calc R U P C 2
H17F H 0.154207 0.155939 0.016556 0.106 Uiso 0.4 1 calc R U P C 2
C18 C 0.1481(3) -0.00228(11) 0.28610(11) 0.0263(5) Uani 1 1 d . . . . .
C19 C 0.1070(4) -0.08677(12) 0.22896(14) 0.0412(7) Uani 1 1 d . . . . .
H19A H 0.199767 -0.105336 0.245413 0.049 Uiso 1 1 calc R U . . .
H19B H 0.133270 -0.068345 0.190276 0.049 Uiso 1 1 calc R U . . .
C20 C -0.0129(4) -0.12955(12) 0.21605(14) 0.0422(7) Uani 1 1 d . . . . .
H20A H -0.105311 -0.111397 0.198684 0.051 Uiso 1 1 calc R U . . .
H20B H -0.040289 -0.148012 0.254571 0.051 Uiso 1 1 calc R U . . .
C21 C 0.0450(5) -0.17319(15) 0.17071(17) 0.0597(10) Uani 1 1 d . . . . .
H21A H 0.075138 -0.154244 0.132822 0.072 Uiso 1 1 calc R U . . .
H21B H 0.136579 -0.191468 0.188648 0.072 Uiso 1 1 calc R U . . .
C22 C -0.0704(6) -0.21601(18) 0.1552(2) 0.0804(14) Uani 1 1 d . . . . .
H22A H -0.024207 -0.244942 0.130284 0.121 Uiso 1 1 calc R U . . .
H22B H -0.155319 -0.198949 0.132203 0.121 Uiso 1 1 calc R U . . .
H22C H -0.107936 -0.232496 0.192777 0.121 Uiso 1 1 calc R U . . .
C23 C -0.3136(3) 0.04571(10) 0.21681(11) 0.0233(5) Uani 1 1 d . . . . .
C24 C -0.4078(3) 0.00324(11) 0.19420(12) 0.0288(5) Uani 1 1 d . . . . .
H24 H -0.505712 -0.002482 0.210436 0.035 Uiso 1 1 calc R U . . .
C25 C -0.3566(3) -0.03014(11) 0.14813(12) 0.0306(6) Uani 1 1 d . . . . .
H25 H -0.419985 -0.058770 0.131892 0.037 Uiso 1 1 calc R U . . .
C26 C -0.2106(3) -0.02183(10) 0.12510(11) 0.0253(5) Uani 1 1 d . . . . .
C27 C -0.1426(3) -0.05432(11) 0.07817(12) 0.0310(6) Uani 1 1 d . . . . .
H27 H -0.199330 -0.083718 0.059774 0.037 Uiso 1 1 calc R U . . .
C28 C 0.0002(3) -0.04413(11) 0.05948(12) 0.0319(6) Uani 1 1 d . . . . .
H28 H 0.042355 -0.067053 0.029000 0.038 Uiso 1 1 calc R U . . .
C29 C 0.0896(3) 0.00079(11) 0.08486(11) 0.0271(5) Uani 1 1 d . . . . .
C30 C 0.2378(3) 0.01442(11) 0.06812(12) 0.0316(6) Uani 1 1 d . . . . .
H30 H 0.287494 -0.006698 0.037944 0.038 Uiso 1 1 calc R U . . .
C31 C 0.3104(3) 0.05845(11) 0.09563(12) 0.0303(6) Uani 1 1 d . . . . .
H31 H 0.410569 0.068215 0.084350 0.036 Uiso 1 1 calc R U . . .
C32 C 0.2364(3) 0.08910(11) 0.14055(11) 0.0259(5) Uani 1 1 d . . . . .
C33 C 0.0247(3) 0.03340(10) 0.13048(11) 0.0232(5) Uani 1 1 d . . . . .
C34 C -0.1254(3) 0.02173(10) 0.15094(11) 0.0230(5) Uani 1 1 d . . . . .
C35 C -0.3502(3) 0.08702(10) 0.26626(11) 0.0226(5) Uani 1 1 d . . . . .
C36 C -0.5251(3) 0.11998(12) 0.34279(12) 0.0308(6) Uani 1 1 d . . . . .
H36A H -0.635075 0.128342 0.338021 0.037 Uiso 1 1 calc R U . . .
H36B H -0.468589 0.155270 0.338855 0.037 Uiso 1 1 calc R U . . .
C37 C -0.4936(3) 0.09587(13) 0.40616(12) 0.0351(6) Uani 1 1 d . . . . .
H37A H -0.547174 0.118660 0.436418 0.042 Uiso 1 1 calc R U . . .
H37B H -0.536478 0.057937 0.407591 0.042 Uiso 1 1 calc R U . . .
C38 C -0.3260(3) 0.09325(13) 0.42453(13) 0.0372(6) Uani 1 1 d . . . . .
H38A H -0.284490 0.131400 0.426807 0.045 Uiso 1 1 calc R U . . .
H38B H -0.270332 0.072923 0.392832 0.045 Uiso 1 1 calc R U . . .
C39 C -0.2994(4) 0.06465(17) 0.48585(15) 0.0521(9) Uani 1 1 d . . . . .
H39A H -0.333432 0.026004 0.482937 0.078 Uiso 1 1 calc R U . . .
H39B H -0.357030 0.083900 0.517143 0.078 Uiso 1 1 calc R U . . .
H39C H -0.190678 0.065653 0.496930 0.078 Uiso 1 1 calc R U . . .
C40 C 0.3022(3) 0.13779(11) 0.17519(11) 0.0262(5) Uani 1 1 d . . . . .
C41 C 0.5070(3) 0.20663(13) 0.18487(14) 0.0373(6) Uani 1 1 d . . . . .
H41A H 0.617255 0.198338 0.187940 0.045 Uiso 1 1 calc R U . . .
H41B H 0.469419 0.210433 0.226845 0.045 Uiso 1 1 calc R U . . .
C42 C 0.4840(3) 0.26132(12) 0.15138(14) 0.0371(6) Uani 1 1 d . . . . .
H42A H 0.563965 0.287606 0.165533 0.045 Uiso 1 1 calc R U . . .
H42B H 0.497651 0.254955 0.107238 0.045 Uiso 1 1 calc R U . . .
C43 C 0.3300(4) 0.28787(14) 0.16003(16) 0.0466(8) Uani 1 1 d . . . . .
H43A H 0.316939 0.295406 0.203981 0.056 Uiso 1 1 calc R U . . .
H43B H 0.249412 0.261509 0.146647 0.056 Uiso 1 1 calc R U . . .
C44 C 0.3105(5) 0.34156(16) 0.1247(2) 0.0631(11) Uani 1 1 d . . . . .
H44A H 0.309841 0.333662 0.080813 0.095 Uiso 1 1 calc R U . . .
H44B H 0.395039 0.366651 0.135084 0.095 Uiso 1 1 calc R U . . .
H44C H 0.214133 0.359086 0.135274 0.095 Uiso 1 1 calc R U . . .
Cl1 Cl 0.62311(8) 0.12412(3) 0.99920(3) 0.03361(15) Uani 1 1 d . . . . .
O5 O 0.5633(3) 0.16714(9) 1.03668(11) 0.0555(7) Uani 1 1 d . . . . .
O6 O 0.5045(4) 0.10107(16) 0.96374(16) 0.0971(12) Uani 1 1 d . . . . .
O7 O 0.6876(4) 0.08240(11) 1.03794(12) 0.0676(8) Uani 1 1 d . . . . .
O8 O 0.7331(4) 0.14695(15) 0.96099(15) 0.0900(11) Uani 1 1 d . . . . .
Cl2 Cl 0.3206(8) 0.0697(3) 0.6422(2) 0.0446(13) Uani 0.55 1 d D U P D 1
O9 O 0.2416(16) 0.0245(5) 0.6684(5) 0.055(2) Uani 0.55 1 d D U P D 1
O10 O 0.3263(11) 0.1142(4) 0.6860(4) 0.075(3) Uani 0.55 1 d D U P D 1
O11 O 0.2794(14) 0.0925(3) 0.5856(3) 0.106(3) Uani 0.55 1 d D U P D 1
O12 O 0.4683(7) 0.0461(3) 0.6371(4) 0.090(2) Uani 0.55 1 d D U P D 1
Cl2A Cl 0.3103(8) 0.0763(4) 0.6397(3) 0.0444(17) Uani 0.45 1 d D U P E 2
O9A O 0.2251(18) 0.0326(7) 0.6648(8) 0.074(4) Uani 0.45 1 d D U P E 2
O10A O 0.3965(12) 0.1092(6) 0.6816(6) 0.075(3) Uani 0.45 1 d D U P E 2
O11A O 0.1833(12) 0.1044(4) 0.6142(6) 0.127(4) Uani 0.45 1 d D U P E 2
O12A O 0.4019(18) 0.0578(6) 0.5952(6) 0.158(5) Uani 0.45 1 d D U P E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Co1 N6 139.37(8) . . ?
N1 Co1 N5 143.23(8) . . ?
N6 Co1 N5 75.84(8) . . ?
N1 Co1 O1 75.25(8) . . ?
N6 Co1 O1 90.86(7) . . ?
N5 Co1 O1 98.96(7) . . ?
N1 Co1 N2 78.14(8) . . ?
N6 Co1 N2 108.36(8) . . ?
N5 Co1 N2 103.51(8) . . ?
O1 Co1 N2 153.32(7) . . ?
N1 Co1 O3 74.13(7) . . ?
N6 Co1 O3 145.59(7) . . ?
N5 Co1 O3 69.82(7) . . ?
O1 Co1 O3 92.28(7) . . ?
N2 Co1 O3 82.28(7) . . ?
C13 O1 Co1 115.45(16) . . ?
C35 O3 Co1 116.49(16) . . ?
C1 N1 C12 121.8(2) . . ?
C1 N1 Co1 121.25(17) . . ?
C12 N1 Co1 116.92(17) . . ?
C10 N2 C11 117.5(2) . . ?
C10 N2 Co1 132.25(17) . . ?
C11 N2 Co1 110.04(16) . . ?
C13 N3 C14A 124.3(16) . . ?
C13 N3 C14 120.3(9) . . ?
C13 N3 H3A 119.9 . . ?
C14 N3 H3A 119.9 . . ?
C13 N3 H3B 117.9 . . ?
C14A N3 H3B 117.9 . . ?
C18 N4 C19 120.1(2) . . ?
C18 N4 H4 119.9 . . ?
C19 N4 H4 119.9 . . ?
C23 N5 C34 118.8(2) . . ?
C23 N5 Co1 124.98(16) . . ?
C34 N5 Co1 116.25(16) . . ?
C32 N6 C33 118.8(2) . . ?
C32 N6 Co1 125.21(17) . . ?
C33 N6 Co1 116.01(16) . . ?
C35 N7 C36 122.3(2) . . ?
C35 N7 H7 118.9 . . ?
C36 N7 H7 118.9 . . ?
C40 N8 C41 123.5(2) . . ?
C40 N8 H8 118.2 . . ?
C41 N8 H8 118.2 . . ?
N1 C1 C2 120.5(2) . . ?
N1 C1 C13 110.1(2) . . ?
C2 C1 C13 129.4(2) . . ?
C3 C2 C1 118.7(3) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 120.8(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C12 C4 C3 116.2(2) . . ?
C12 C4 C5 117.9(3) . . ?
C3 C4 C5 125.9(3) . . ?
C6 C5 C4 120.5(3) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C7 122.3(3) . . ?
C5 C6 H6 118.8 . . ?
C7 C6 H6 118.8 . . ?
C8 C7 C11 116.6(2) . . ?
C8 C7 C6 124.5(2) . . ?
C11 C7 C6 118.8(3) . . ?
C9 C8 C7 119.8(2) . . ?
C9 C8 H8A 120.1 . . ?
C7 C8 H8A 120.1 . . ?
C8 C9 C10 119.4(3) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
N2 C10 C9 122.7(2) . . ?
N2 C10 C18 116.3(2) . . ?
C9 C10 C18 120.3(2) . . ?
N2 C11 C7 123.8(2) . . ?
N2 C11 C12 117.5(2) . . ?
C7 C11 C12 118.6(2) . . ?
N1 C12 C4 122.0(2) . . ?
N1 C12 C11 116.3(2) . . ?
C4 C12 C11 121.7(2) . . ?
O1 C13 N3 122.6(2) . . ?
O1 C13 C1 117.5(2) . . ?
N3 C13 C1 119.9(2) . . ?
C15 C14 N3 111.2(16) . . ?
C15 C14 H14A 109.4 . . ?
N3 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
N3 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 110.9(15) . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C17 107.8(10) . . ?
C15 C16 H16A 110.2 . . ?
C17 C16 H16A 110.2 . . ?
C15 C16 H16B 110.2 . . ?
C17 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C14A C15A 118(3) . . ?
N3 C14A H14C 107.7 . . ?
C15A C14A H14C 107.7 . . ?
N3 C14A H14D 107.7 . . ?
C15A C14A H14D 107.7 . . ?
H14C C14A H14D 107.1 . . ?
C14A C15A C16A 119(2) . . ?
C14A C15A H15C 107.5 . . ?
C16A C15A H15C 107.5 . . ?
C14A C15A H15D 107.5 . . ?
C16A C15A H15D 107.5 . . ?
H15C C15A H15D 107.0 . . ?
C17A C16A C15A 117.4(18) . . ?
C17A C16A H16C 107.9 . . ?
C15A C16A H16C 107.9 . . ?
C17A C16A H16D 107.9 . . ?
C15A C16A H16D 107.9 . . ?
H16C C16A H16D 107.2 . . ?
C16A C17A H17D 109.5 . . ?
C16A C17A H17E 109.5 . . ?
H17D C17A H17E 109.5 . . ?
C16A C17A H17F 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
O2 C18 N4 123.3(3) . . ?
O2 C18 C10 117.2(2) . . ?
N4 C18 C10 119.5(2) . . ?
N4 C19 C20 112.7(3) . . ?
N4 C19 H19A 109.1 . . ?
C20 C19 H19A 109.1 . . ?
N4 C19 H19B 109.1 . . ?
C20 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 C21 110.5(3) . . ?
C19 C20 H20A 109.6 . . ?
C21 C20 H20A 109.6 . . ?
C19 C20 H20B 109.6 . . ?
C21 C20 H20B 109.6 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 112.9(4) . . ?
C22 C21 H21A 109.0 . . ?
C20 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
C20 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 C24 122.0(2) . . ?
N5 C23 C35 111.1(2) . . ?
C24 C23 C35 126.9(2) . . ?
C25 C24 C23 119.1(2) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 120.0(2) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C34 C26 C25 116.4(2) . . ?
C34 C26 C27 118.1(2) . . ?
C25 C26 C27 125.5(2) . . ?
C28 C27 C26 121.6(2) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C27 C28 C29 121.4(2) . . ?
C27 C28 H28 119.3 . . ?
C29 C28 H28 119.3 . . ?
C30 C29 C33 116.9(2) . . ?
C30 C29 C28 125.2(2) . . ?
C33 C29 C28 117.9(2) . . ?
C31 C30 C29 119.4(2) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C30 C31 C32 119.8(2) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
N6 C32 C31 121.6(2) . . ?
N6 C32 C40 112.5(2) . . ?
C31 C32 C40 125.8(2) . . ?
N6 C33 C29 123.4(2) . . ?
N6 C33 C34 116.1(2) . . ?
C29 C33 C34 120.5(2) . . ?
N5 C34 C26 123.7(2) . . ?
N5 C34 C33 115.8(2) . . ?
C26 C34 C33 120.5(2) . . ?
O3 C35 N7 124.1(2) . . ?
O3 C35 C23 117.4(2) . . ?
N7 C35 C23 118.5(2) . . ?
N7 C36 C37 112.5(2) . . ?
N7 C36 H36A 109.1 . . ?
C37 C36 H36A 109.1 . . ?
N7 C36 H36B 109.1 . . ?
C37 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
C38 C37 C36 114.2(2) . . ?
C38 C37 H37A 108.7 . . ?
C36 C37 H37A 108.7 . . ?
C38 C37 H37B 108.7 . . ?
C36 C37 H37B 108.7 . . ?
H37A C37 H37B 107.6 . . ?
C37 C38 C39 112.2(3) . . ?
C37 C38 H38A 109.2 . . ?
C39 C38 H38A 109.2 . . ?
C37 C38 H38B 109.2 . . ?
C39 C38 H38B 109.2 . . ?
H38A C38 H38B 107.9 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O4 C40 N8 124.3(2) . . ?
O4 C40 C32 118.0(2) . . ?
N8 C40 C32 117.7(2) . . ?
N8 C41 C42 113.0(2) . . ?
N8 C41 H41A 109.0 . . ?
C42 C41 H41A 109.0 . . ?
N8 C41 H41B 109.0 . . ?
C42 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
C43 C42 C41 114.5(3) . . ?
C43 C42 H42A 108.6 . . ?
C41 C42 H42A 108.6 . . ?
C43 C42 H42B 108.6 . . ?
C41 C42 H42B 108.6 . . ?
H42A C42 H42B 107.6 . . ?
C42 C43 C44 112.7(3) . . ?
C42 C43 H43A 109.0 . . ?
C44 C43 H43A 109.0 . . ?
C42 C43 H43B 109.0 . . ?
C44 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O6 Cl1 O8 109.7(2) . . ?
O6 Cl1 O7 109.2(2) . . ?
O8 Cl1 O7 111.23(19) . . ?
O6 Cl1 O5 109.1(2) . . ?
O8 Cl1 O5 109.07(19) . . ?
O7 Cl1 O5 108.39(15) . . ?
O11 Cl2 O9 122.9(8) . . ?
O11 Cl2 O12 107.7(7) . . ?
O9 Cl2 O12 100.4(9) . . ?
O11 Cl2 O10 107.6(8) . . ?
O9 Cl2 O10 108.1(8) . . ?
O12 Cl2 O10 109.5(7) . . ?
O12A Cl2A O11A 110.6(11) . . ?
O12A Cl2A O9A 111.4(11) . . ?
O11A Cl2A O9A 95.2(10) . . ?
O12A Cl2A O10A 109.4(9) . . ?
O11A Cl2A O10A 113.2(10) . . ?
O9A Cl2A O10A 116.4(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N1 2.031(2) . ?
Co1 N6 2.120(2) . ?
Co1 N5 2.123(2) . ?
Co1 O1 2.1487(18) . ?
Co1 N2 2.182(2) . ?
Co1 O3 2.3486(18) . ?
O1 C13 1.248(3) . ?
O2 C18 1.230(3) . ?
O3 C35 1.239(3) . ?
O4 C40 1.235(3) . ?
N1 C1 1.321(3) . ?
N1 C12 1.335(3) . ?
N2 C10 1.329(3) . ?
N2 C11 1.359(3) . ?
N3 C13 1.319(3) . ?
N3 C14A 1.36(3) . ?
N3 C14 1.532(18) . ?
N3 H3A 0.8800 . ?
N3 H3B 0.8800 . ?
N4 C18 1.320(3) . ?
N4 C19 1.464(4) . ?
N4 H4 0.8800 . ?
N5 C23 1.328(3) . ?
N5 C34 1.341(3) . ?
N6 C32 1.328(3) . ?
N6 C33 1.345(3) . ?
N7 C35 1.318(3) . ?
N7 C36 1.464(3) . ?
N7 H7 0.8800 . ?
N8 C40 1.326(3) . ?
N8 C41 1.458(4) . ?
N8 H8 0.8800 . ?
C1 C2 1.402(4) . ?
C1 C13 1.519(3) . ?
C2 C3 1.377(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.413(4) . ?
C3 H3 0.9500 . ?
C4 C12 1.401(4) . ?
C4 C5 1.442(4) . ?
C5 C6 1.354(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.429(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.407(4) . ?
C7 C11 1.407(3) . ?
C8 C9 1.369(4) . ?
C8 H8A 0.9500 . ?
C9 C10 1.405(4) . ?
C9 H9 0.9500 . ?
C10 C18 1.510(4) . ?
C11 C12 1.438(4) . ?
C14 C15 1.52(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.492(14) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.547(11) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C14A C15A 1.54(4) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C15A C16A 1.56(2) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C16A C17A 1.448(16) . ?
C16A H16C 0.9900 . ?
C16A H16D 0.9900 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C19 C20 1.495(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.543(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.480(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.399(3) . ?
C23 C35 1.513(3) . ?
C24 C25 1.376(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.406(4) . ?
C25 H25 0.9500 . ?
C26 C34 1.400(3) . ?
C26 C27 1.436(4) . ?
C27 C28 1.353(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.441(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.402(4) . ?
C29 C33 1.405(3) . ?
C30 C31 1.370(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.404(4) . ?
C31 H31 0.9500 . ?
C32 C40 1.505(4) . ?
C33 C34 1.432(3) . ?
C36 C37 1.524(4) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.518(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.523(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C41 C42 1.520(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.514(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.516(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
Cl1 O6 1.399(3) . ?
Cl1 O8 1.408(3) . ?
Cl1 O7 1.424(2) . ?
Cl1 O5 1.431(2) . ?
Cl2 O11 1.396(8) . ?
Cl2 O9 1.420(10) . ?
Cl2 O12 1.425(9) . ?
Cl2 O10 1.441(9) . ?
Cl2A O12A 1.356(10) . ?
Cl2A O11A 1.408(11) . ?
Cl2A O9A 1.412(11) . ?
Cl2A O10A 1.417(12) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 N1 C1 C2 1.2(4) . . . . ?
Co1 N1 C1 C2 178.9(2) . . . . ?
C12 N1 C1 C13 -177.0(2) . . . . ?
Co1 N1 C1 C13 0.7(3) . . . . ?
N1 C1 C2 C3 -1.4(4) . . . . ?
C13 C1 C2 C3 176.4(3) . . . . ?
C1 C2 C3 C4 0.3(5) . . . . ?
C2 C3 C4 C12 1.0(4) . . . . ?
C2 C3 C4 C5 -178.8(3) . . . . ?
C12 C4 C5 C6 1.2(4) . . . . ?
C3 C4 C5 C6 -179.0(3) . . . . ?
C4 C5 C6 C7 1.8(5) . . . . ?
C5 C6 C7 C8 175.3(3) . . . . ?
C5 C6 C7 C11 -2.3(4) . . . . ?
C11 C7 C8 C9 3.4(4) . . . . ?
C6 C7 C8 C9 -174.3(3) . . . . ?
C7 C8 C9 C10 -0.8(4) . . . . ?
C11 N2 C10 C9 5.3(4) . . . . ?
Co1 N2 C10 C9 -169.49(19) . . . . ?
C11 N2 C10 C18 -164.9(2) . . . . ?
Co1 N2 C10 C18 20.3(3) . . . . ?
C8 C9 C10 N2 -3.7(4) . . . . ?
C8 C9 C10 C18 166.1(2) . . . . ?
C10 N2 C11 C7 -2.5(4) . . . . ?
Co1 N2 C11 C7 173.42(19) . . . . ?
C10 N2 C11 C12 173.7(2) . . . . ?
Co1 N2 C11 C12 -10.4(3) . . . . ?
C8 C7 C11 N2 -1.8(4) . . . . ?
C6 C7 C11 N2 176.0(2) . . . . ?
C8 C7 C11 C12 -178.0(2) . . . . ?
C6 C7 C11 C12 -0.1(4) . . . . ?
C1 N1 C12 C4 0.2(4) . . . . ?
Co1 N1 C12 C4 -177.64(19) . . . . ?
C1 N1 C12 C11 -177.7(2) . . . . ?
Co1 N1 C12 C11 4.5(3) . . . . ?
C3 C4 C12 N1 -1.3(4) . . . . ?
C5 C4 C12 N1 178.5(2) . . . . ?
C3 C4 C12 C11 176.5(2) . . . . ?
C5 C4 C12 C11 -3.7(4) . . . . ?
N2 C11 C12 N1 4.6(3) . . . . ?
C7 C11 C12 N1 -178.9(2) . . . . ?
N2 C11 C12 C4 -173.2(2) . . . . ?
C7 C11 C12 C4 3.2(4) . . . . ?
Co1 O1 C13 N3 173.22(19) . . . . ?
Co1 O1 C13 C1 -7.9(3) . . . . ?
C14A N3 C13 O1 6.1(16) . . . . ?
C14 N3 C13 O1 2.5(9) . . . . ?
C14A N3 C13 C1 -172.7(16) . . . . ?
C14 N3 C13 C1 -176.4(9) . . . . ?
N1 C1 C13 O1 5.0(3) . . . . ?
C2 C1 C13 O1 -173.0(3) . . . . ?
N1 C1 C13 N3 -176.1(2) . . . . ?
C2 C1 C13 N3 5.9(4) . . . . ?
C13 N3 C14 C15 -95.2(14) . . . . ?
N3 C14 C15 C16 77(2) . . . . ?
C14 C15 C16 C17 -178.1(14) . . . . ?
C13 N3 C14A C15A -100(3) . . . . ?
N3 C14A C15A C16A 58(4) . . . . ?
C14A C15A C16A C17A 71(3) . . . . ?
C19 N4 C18 O2 4.1(4) . . . . ?
C19 N4 C18 C10 -175.5(2) . . . . ?
N2 C10 C18 O2 72.4(3) . . . . ?
C9 C10 C18 O2 -98.0(3) . . . . ?
N2 C10 C18 N4 -108.0(3) . . . . ?
C9 C10 C18 N4 81.6(3) . . . . ?
C18 N4 C19 C20 -176.2(2) . . . . ?
N4 C19 C20 C21 -179.2(3) . . . . ?
C19 C20 C21 C22 -178.8(3) . . . . ?
C34 N5 C23 C24 0.3(4) . . . . ?
Co1 N5 C23 C24 179.44(18) . . . . ?
C34 N5 C23 C35 -179.4(2) . . . . ?
Co1 N5 C23 C35 -0.2(3) . . . . ?
N5 C23 C24 C25 -0.7(4) . . . . ?
C35 C23 C24 C25 178.9(2) . . . . ?
C23 C24 C25 C26 1.0(4) . . . . ?
C24 C25 C26 C34 -0.9(4) . . . . ?
C24 C25 C26 C27 178.7(3) . . . . ?
C34 C26 C27 C28 0.8(4) . . . . ?
C25 C26 C27 C28 -178.7(3) . . . . ?
C26 C27 C28 C29 -1.5(4) . . . . ?
C27 C28 C29 C30 -179.8(3) . . . . ?
C27 C28 C29 C33 0.9(4) . . . . ?
C33 C29 C30 C31 -1.0(4) . . . . ?
C28 C29 C30 C31 179.7(2) . . . . ?
C29 C30 C31 C32 0.5(4) . . . . ?
C33 N6 C32 C31 -0.7(4) . . . . ?
Co1 N6 C32 C31 178.43(18) . . . . ?
C33 N6 C32 C40 -179.7(2) . . . . ?
Co1 N6 C32 C40 -0.5(3) . . . . ?
C30 C31 C32 N6 0.4(4) . . . . ?
C30 C31 C32 C40 179.1(2) . . . . ?
C32 N6 C33 C29 0.2(4) . . . . ?
Co1 N6 C33 C29 -179.01(18) . . . . ?
C32 N6 C33 C34 179.9(2) . . . . ?
Co1 N6 C33 C34 0.6(3) . . . . ?
C30 C29 C33 N6 0.6(4) . . . . ?
C28 C29 C33 N6 180.0(2) . . . . ?
C30 C29 C33 C34 -179.0(2) . . . . ?
C28 C29 C33 C34 0.3(3) . . . . ?
C23 N5 C34 C26 -0.2(3) . . . . ?
Co1 N5 C34 C26 -179.42(18) . . . . ?
C23 N5 C34 C33 -179.7(2) . . . . ?
Co1 N5 C34 C33 1.1(3) . . . . ?
C25 C26 C34 N5 0.5(4) . . . . ?
C27 C26 C34 N5 -179.1(2) . . . . ?
C25 C26 C34 C33 180.0(2) . . . . ?
C27 C26 C34 C33 0.4(3) . . . . ?
N6 C33 C34 N5 -1.1(3) . . . . ?
C29 C33 C34 N5 178.5(2) . . . . ?
N6 C33 C34 C26 179.3(2) . . . . ?
C29 C33 C34 C26 -1.0(4) . . . . ?
Co1 O3 C35 N7 175.25(19) . . . . ?
Co1 O3 C35 C23 -6.1(3) . . . . ?
C36 N7 C35 O3 -1.9(4) . . . . ?
C36 N7 C35 C23 179.4(2) . . . . ?
N5 C23 C35 O3 4.4(3) . . . . ?
C24 C23 C35 O3 -175.3(2) . . . . ?
N5 C23 C35 N7 -176.9(2) . . . . ?
C24 C23 C35 N7 3.5(4) . . . . ?
C35 N7 C36 C37 -98.2(3) . . . . ?
N7 C36 C37 C38 71.8(3) . . . . ?
C36 C37 C38 C39 -175.4(3) . . . . ?
C41 N8 C40 O4 0.8(4) . . . . ?
C41 N8 C40 C32 -178.3(2) . . . . ?
N6 C32 C40 O4 12.6(3) . . . . ?
C31 C32 C40 O4 -166.3(3) . . . . ?
N6 C32 C40 N8 -168.3(2) . . . . ?
C31 C32 C40 N8 12.8(4) . . . . ?
C40 N8 C41 C42 -105.1(3) . . . . ?
N8 C41 C42 C43 76.6(3) . . . . ?
C41 C42 C43 C44 -178.6(3) . . . . ?
