#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179859 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/55/7015529.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_7015529
loop_
_publ_author_name
'Brotherton, Wendy S.'
'Guha, Pampa M.'
'Phan, Hoa'
'Clark, Ronald J.'
'Shatruk, Michael'
'Zhu, Lei'
_publ_section_title
;
 Tridentate complexes of
 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its
 organic azide precursors: an application of the copper(II)
 acetate-accelerated azide-alkyne cycloaddition.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3655
_journal_page_last               3665
_journal_paper_doi               10.1039/c0dt01702g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C52 H50 Cl2 Co N15 O9'
_chemical_formula_weight         1158.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.7030(10)
_cell_angle_beta                 101.9890(10)
_cell_angle_gamma                94.2900(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3100(8)
_cell_length_b                   14.6560(9)
_cell_length_c                   17.4106(11)
_cell_measurement_temperature    173(2)
_cell_volume                     2744.9(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32788
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.480
_exptl_absorpt_correction_T_max  0.9359
_exptl_absorpt_correction_T_min  0.8501
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.373
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         13224
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      2.381
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                10562
_reflns_number_total             13224
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01702g.txt
_cod_data_source_block           zhu49
_cod_database_code               7015529
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.245447(19) 0.200803(18) 0.445248(16) 0.02733(7) Uani 1 1 d . A .
C1 C 0.55269(14) 0.41977(9) 0.85410(8) 0.0767(11) Uani 0.811(2) 1 d PG A 1
H1 H 0.5649 0.3552 0.8509 0.092 Uiso 0.811(2) 1 calc PR A 1
C2 C 0.60562(18) 0.50867(11) 0.92944(8) 0.1074(16) Uani 0.811(2) 1 d PG A 1
H2 H 0.6540 0.5049 0.9778 0.129 Uiso 0.811(2) 1 calc PR A 1
C3 C 0.58769(16) 0.60313(9) 0.93405(9) 0.0746(11) Uani 0.811(2) 1 d PG A 1
H3 H 0.6239 0.6639 0.9855 0.090 Uiso 0.811(2) 1 calc PR A 1
C4 C 0.51683(15) 0.60870(7) 0.86333(10) 0.0611(9) Uani 0.811(2) 1 d PG A 1
H4 H 0.5046 0.6733 0.8665 0.073 Uiso 0.811(2) 1 calc PR A 1
C5 C 0.46390(13) 0.51981(8) 0.78799(9) 0.0452(7) Uani 0.811(2) 1 d PG A 1
H5 H 0.4155 0.5236 0.7397 0.054 Uiso 0.811(2) 1 calc PR A 1
C6 C 0.48183(8) 0.42534(7) 0.78338(6) 0.0389(7) Uani 0.811(2) 1 d PG A 1
C1A C 0.49391(16) 0.43828(9) 0.87331(6) 0.050(4) Uiso 0.189(2) 1 d PG A 2
C2A C 0.5549(2) 0.52246(11) 0.94770(6) 0.059(4) Uiso 0.189(2) 1 d PG A 2
C3A C 0.63290(16) 0.59170(11) 0.94464(10) 0.051(4) Uiso 0.189(2) 1 d PG A 2
C4A C 0.66074(12) 0.57353(10) 0.87254(13) 0.074(4) Uiso 0.189(2) 1 d PG A 2
C5A C 0.60083(11) 0.48692(9) 0.79215(11) 0.063(4) Uiso 0.189(2) 1 d PG A 2
C6A C 0.50914(8) 0.42136(7) 0.79109(6) 0.025(3) Uiso 0.189(2) 1 d PG A 2
C7 C 0.43467(9) 0.33144(8) 0.70356(6) 0.0331(4) Uani 1 1 d G . .
C8 C 0.41214(12) 0.23124(7) 0.68964(8) 0.0342(5) Uani 1 1 d G A .
H8 H 0.4252 0.2060 0.7323 0.041 Uiso 1 1 calc R . .
C9 C 0.34276(14) 0.06683(13) 0.54992(12) 0.0330(4) Uani 1 1 d . . .
H9A H 0.3629 0.0341 0.5892 0.040 Uiso 1 1 calc R . .
H9B H 0.3921 0.0488 0.5095 0.040 Uiso 1 1 calc R . .
C10 C 0.22170(14) 0.02164(13) 0.49624(12) 0.0272(4) Uani 1 1 d . A .
C11 C 0.17798(15) -0.07307(13) 0.48697(12) 0.0315(4) Uani 1 1 d . . .
H11 H 0.2207 -0.1042 0.5181 0.038 Uiso 1 1 calc R . .
C12 C 0.07186(15) -0.12214(14) 0.43210(12) 0.0340(5) Uani 1 1 d . . .
H12 H 0.0419 -0.1888 0.4224 0.041 Uiso 1 1 calc R . .
C13 C 0.01039(15) -0.07212(13) 0.39166(12) 0.0307(4) Uani 1 1 d . . .
H13 H -0.0632 -0.1038 0.3540 0.037 Uiso 1 1 calc R . .
C14 C 0.05660(14) 0.02418(13) 0.40627(11) 0.0258(4) Uani 1 1 d . A .
C15 C -0.01645(14) 0.08431(13) 0.37150(12) 0.0284(4) Uani 1 1 d . . .
H15A H -0.0946 0.0451 0.3450 0.034 Uiso 1 1 calc R . .
H15B H -0.0181 0.1493 0.4213 0.034 Uiso 1 1 calc R . .
C16 C -0.03507(16) 0.08960(14) 0.22520(12) 0.0337(4) Uani 1 1 d . . .
H16 H -0.1093 0.0521 0.1939 0.040 Uiso 1 1 calc R . .
C17 C 0.03783(15) 0.13762(14) 0.19709(12) 0.0319(4) Uani 1 1 d . . .
C18 C 0.02174(17) 0.14394(15) 0.11353(13) 0.0370(5) Uani 1 1 d . . .
C19 C 0.10664(19) 0.19716(17) 0.09890(14) 0.0528(6) Uani 1 1 d . . .
H19 H 0.1744 0.2323 0.1440 0.063 Uiso 1 1 calc R . .
C20 C 0.0928(2) 0.19928(19) 0.01847(16) 0.0633(7) Uani 1 1 d . . .
H20 H 0.1517 0.2352 0.0085 0.076 Uiso 1 1 calc R . .
C21 C -0.0051(2) 0.14999(19) -0.04660(16) 0.0586(7) Uani 1 1 d . . .
H21 H -0.0141 0.1516 -0.1015 0.070 Uiso 1 1 calc R . .
C22 C -0.0900(2) 0.09831(19) -0.03212(15) 0.0582(6) Uani 1 1 d . . .
H22 H -0.1584 0.0649 -0.0769 0.070 Uiso 1 1 calc R . .
C23 C -0.07658(18) 0.09458(17) 0.04740(14) 0.0480(6) Uani 1 1 d . . .
H23 H -0.1354 0.0578 0.0566 0.058 Uiso 1 1 calc R . .
N1 N 0.40373(12) 0.33415(11) 0.62518(10) 0.0327(4) Uani 1 1 d . A .
N2 N 0.36388(12) 0.23951(11) 0.56407(10) 0.0301(4) Uani 1 1 d . . .
N3 N 0.36786(12) 0.17723(11) 0.60310(10) 0.0296(4) Uani 1 1 d . A .
N4 N 0.16342(11) 0.07057(10) 0.45580(9) 0.0256(3) Uani 1 1 d . . .
N5 N 0.02150(12) 0.10743(11) 0.30603(10) 0.0277(3) Uani 1 1 d . A .
N6 N 0.12383(12) 0.16407(11) 0.32861(10) 0.0297(4) Uani 1 1 d . . .
N7 N 0.13488(12) 0.18236(11) 0.26202(10) 0.0329(4) Uani 1 1 d . A .
C31 C 0.25791(19) -0.19014(17) 0.16434(15) 0.0529(6) Uani 1 1 d . . .
H31 H 0.2102 -0.1758 0.2028 0.064 Uiso 1 1 calc R . .
C32 C 0.2316(2) -0.28125(19) 0.08867(17) 0.0719(8) Uani 1 1 d . . .
H32 H 0.1658 -0.3291 0.0752 0.086 Uiso 1 1 calc R . .
C33 C 0.3003(3) -0.3027(2) 0.03308(18) 0.0827(9) Uani 1 1 d . . .
H33 H 0.2809 -0.3645 -0.0197 0.099 Uiso 1 1 calc R . .
C34 C 0.3969(3) -0.2352(2) 0.05358(18) 0.0789(8) Uani 1 1 d . . .
H34 H 0.4458 -0.2513 0.0160 0.095 Uiso 1 1 calc R . .
C35 C 0.4237(2) -0.14338(18) 0.12890(15) 0.0585(6) Uani 1 1 d . . .
H35 H 0.4907 -0.0967 0.1424 0.070 Uiso 1 1 calc R . .
C36 C 0.35399(18) -0.11928(15) 0.18440(13) 0.0402(5) Uani 1 1 d . . .
C37 C 0.37617(15) -0.01872(15) 0.26094(12) 0.0337(4) Uani 1 1 d . . .
C38 C 0.46228(16) 0.06383(15) 0.29198(13) 0.0376(5) Uani 1 1 d . . .
H38 H 0.5264 0.0674 0.2703 0.045 Uiso 1 1 calc R . .
C39 C 0.49471(14) 0.24290(14) 0.41614(13) 0.0353(5) Uani 1 1 d . . .
H39A H 0.5676 0.2529 0.4026 0.042 Uiso 1 1 calc R . .
H39B H 0.5115 0.2537 0.4778 0.042 Uiso 1 1 calc R . .
C40 C 0.42805(14) 0.32247(14) 0.40712(12) 0.0301(4) Uani 1 1 d . A .
C41 C 0.47408(17) 0.39173(15) 0.38249(14) 0.0433(5) Uani 1 1 d . . .
H41 H 0.5430 0.3853 0.3660 0.052 Uiso 1 1 calc R . .
C42 C 0.41928(19) 0.46993(16) 0.38214(15) 0.0526(6) Uani 1 1 d . . .
H42 H 0.4503 0.5188 0.3663 0.063 Uiso 1 1 calc R . .
C43 C 0.31847(17) 0.47617(15) 0.40514(13) 0.0407(5) Uani 1 1 d . . .
H43 H 0.2793 0.5298 0.4058 0.049 Uiso 1 1 calc R . .
C44 C 0.27502(14) 0.40324(13) 0.42723(11) 0.0284(4) Uani 1 1 d . A .
C45 C 0.15980(14) 0.40764(14) 0.44499(12) 0.0293(4) Uani 1 1 d . . .
H45A H 0.1398 0.4743 0.4520 0.035 Uiso 1 1 calc R . .
H45B H 0.1036 0.3537 0.3932 0.035 Uiso 1 1 calc R . .
C46 C 0.12721(15) 0.45821(14) 0.59562(12) 0.0326(4) Uani 1 1 d . . .
H46 H 0.1177 0.5270 0.6121 0.039 Uiso 1 1 calc R . .
C47 C 0.11929(14) 0.40274(14) 0.64215(12) 0.0315(4) Uani 1 1 d . . .
C48 C 0.09195(17) 0.43185(15) 0.72673(13) 0.0424(5) Uani 1 1 d . . .
C49 C 0.1160(2) 0.37438(18) 0.77265(14) 0.0581(6) Uani 1 1 d . . .
H49 H 0.1515 0.3170 0.7500 0.070 Uiso 1 1 calc R . .
C50 C 0.0880(3) 0.4010(2) 0.85144(17) 0.0860(9) Uani 1 1 d . . .
H50 H 0.1032 0.3613 0.8825 0.103 Uiso 1 1 calc R . .
C51 C 0.0382(3) 0.4849(3) 0.88454(18) 0.0995(12) Uani 1 1 d . . .
H51 H 0.0196 0.5031 0.9387 0.119 Uiso 1 1 calc R . .
C52 C 0.0151(3) 0.5426(2) 0.84068(19) 0.0936(10) Uani 1 1 d . . .
H52 H -0.0190 0.6007 0.8643 0.112 Uiso 1 1 calc R . .
C53 C 0.0417(2) 0.51603(18) 0.76189(16) 0.0636(7) Uani 1 1 d . . .
H53 H 0.0254 0.5560 0.7312 0.076 Uiso 1 1 calc R . .
N31 N 0.30228(12) 0.00838(12) 0.31086(10) 0.0348(4) Uani 1 1 d . A .
N32 N 0.33956(12) 0.10353(12) 0.37053(10) 0.0334(4) Uani 1 1 d . . .
N33 N 0.43630(12) 0.13788(11) 0.35913(10) 0.0314(4) Uani 1 1 d . A .
N34 N 0.32806(11) 0.32679(11) 0.42835(9) 0.0267(3) Uani 1 1 d . . .
N35 N 0.15108(11) 0.39471(11) 0.52233(10) 0.0277(3) Uani 1 1 d . A .
N36 N 0.15666(11) 0.30306(11) 0.52191(10) 0.0284(3) Uani 1 1 d . . .
N37 N 0.13823(12) 0.30753(11) 0.59518(10) 0.0304(4) Uani 1 1 d . A .
Cl1 Cl 0.74142(5) 0.86633(5) 0.18366(4) 0.05635(16) Uani 1 1 d . . .
O1 O 0.67489(15) 0.76738(13) 0.14929(10) 0.0824(6) Uani 1 1 d . . .
O2 O 0.71074(15) 0.91056(17) 0.12544(14) 0.1011(7) Uani 1 1 d . . .
O3 O 0.72427(14) 0.92831(12) 0.26770(10) 0.0734(5) Uani 1 1 d . . .
O4 O 0.85889(13) 0.86039(13) 0.19442(10) 0.0688(5) Uani 1 1 d . . .
Cl2 Cl 0.81370(4) 0.29329(4) 0.43095(4) 0.03780(12) Uani 1 1 d . . .
O5 O 0.75569(11) 0.18935(10) 0.38310(10) 0.0524(4) Uani 1 1 d . . .
O6 O 0.73839(10) 0.36010(9) 0.42042(9) 0.0449(4) Uani 1 1 d . . .
O7 O 0.90839(11) 0.30760(11) 0.39876(11) 0.0574(4) Uani 1 1 d . . .
O8 O 0.85195(15) 0.31910(13) 0.52245(11) 0.0741(5) Uani 1 1 d . . .
C61 C 0.6786(2) 0.2396(2) 0.6338(2) 0.0623(7) Uani 1 1 d . . .
C62 C 0.7686(3) 0.3221(2) 0.69957(19) 0.0995(10) Uani 1 1 d . . .
H62A H 0.8228 0.2946 0.7300 0.149 Uiso 1 1 calc R . .
H62B H 0.7365 0.3728 0.7420 0.149 Uiso 1 1 calc R . .
H62C H 0.8072 0.3546 0.6711 0.149 Uiso 1 1 calc R . .
N61 N 0.60979(18) 0.17574(19) 0.58211(16) 0.0743(7) Uani 1 1 d . . .
C71 C 0.3661(3) 0.1153(3) 0.1003(3) 0.1583(19) Uani 1 1 d D . .
H71A H 0.3664 0.1675 0.1585 0.237 Uiso 1 1 calc R . .
H71B H 0.3266 0.0492 0.0905 0.237 Uiso 1 1 calc R . .
H71C H 0.3273 0.1343 0.0555 0.237 Uiso 1 1 calc R . .
C72 C 0.4815(4) 0.1079(4) 0.0951(3) 0.176(2) Uani 1 1 d D . .
H72A H 0.4952 0.0398 0.0889 0.212 Uiso 1 1 calc R . .
H72B H 0.4901 0.1128 0.0416 0.212 Uiso 1 1 calc R . .
C73 C 0.6724(3) 0.1710(3) 0.1564(3) 0.1591(19) Uani 1 1 d D . .
H73A H 0.7057 0.1346 0.1896 0.191 Uiso 1 1 calc R . .
H73B H 0.6707 0.1301 0.0942 0.191 Uiso 1 1 calc R . .
C74 C 0.7401(3) 0.2652(3) 0.1878(2) 0.1167(12) Uani 1 1 d D . .
H74A H 0.7443 0.2806 0.1388 0.175 Uiso 1 1 calc R . .
H74B H 0.8161 0.2641 0.2184 0.175 Uiso 1 1 calc R . .
H74C H 0.7079 0.3178 0.2287 0.175 Uiso 1 1 calc R . .
O71 O 0.5595(2) 0.1785(2) 0.1633(2) 0.1640(13) Uani 1 1 d D . .
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
N6 Co1 N2 178.34(6) . . ?
N6 Co1 N32 88.12(6) . . ?
N2 Co1 N32 93.50(6) . . ?
N6 Co1 N36 93.02(6) . . ?
N2 Co1 N36 85.37(6) . . ?
N32 Co1 N36 177.70(6) . . ?
N6 Co1 N4 90.45(5) . . ?
N2 Co1 N4 89.24(5) . . ?
N32 Co1 N4 88.44(5) . . ?
N36 Co1 N4 93.54(5) . . ?
N6 Co1 N34 87.91(5) . . ?
N2 Co1 N34 92.46(5) . . ?
N32 Co1 N34 89.36(5) . . ?
N36 Co1 N34 88.69(5) . . ?
N4 Co1 N34 177.30(5) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 H1 120.0 . . ?
C6 C1 H1 120.0 . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 C7 121.5 . . ?
C1 C6 C7 118.3 . . ?
C2A C1A C6A 120.5 . . ?
C3A C2A C1A 121.6 . . ?
C4A C3A C2A 120.5 . . ?
C3A C4A C5A 120.6 . . ?
C6A C5A C4A 119.9 . . ?
C1A C6A C5A 115.8 . . ?
C1A C6A C7 122.4 . . ?
C5A C6A C7 121.7 . . ?
N1 C7 C8 108.50(9) . . ?
N1 C7 C6 120.13(9) . . ?
C8 C7 C6 131.4 . . ?
N1 C7 C6A 125.48(9) . . ?
C8 C7 C6A 124.6 . . ?
C6 C7 C6A 12.7 . . ?
N3 C8 C7 105.17(9) . . ?
N3 C8 H8 127.4 . . ?
C7 C8 H8 127.4 . . ?
N3 C9 C10 116.00(14) . . ?
N3 C9 H9A 108.3 . . ?
C10 C9 H9A 108.3 . . ?
N3 C9 H9B 108.3 . . ?
C10 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
N4 C10 C11 122.67(16) . . ?
N4 C10 C9 120.19(15) . . ?
C11 C10 C9 117.03(16) . . ?
C12 C11 C10 119.49(17) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C11 118.41(17) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
C12 C13 C14 119.47(17) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
N4 C14 C13 122.58(16) . . ?
N4 C14 C15 118.06(15) . . ?
C13 C14 C15 119.21(16) . . ?
N5 C15 C14 114.24(13) . . ?
N5 C15 H15A 108.7 . . ?
C14 C15 H15A 108.7 . . ?
N5 C15 H15B 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
N5 C16 C17 105.21(16) . . ?
N5 C16 H16 127.4 . . ?
C17 C16 H16 127.4 . . ?
N7 C17 C16 108.19(16) . . ?
N7 C17 C18 122.04(16) . . ?
C16 C17 C18 129.78(18) . . ?
C23 C18 C19 118.89(19) . . ?
C23 C18 C17 120.72(18) . . ?
C19 C18 C17 120.36(19) . . ?
C18 C19 C20 120.1(2) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C21 C20 C19 120.4(2) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 119.7(2) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C21 C22 C23 120.3(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C18 C23 C22 120.5(2) . . ?
C18 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
N2 N1 C7 107.84(13) . . ?
N1 N2 N3 108.33(14) . . ?
N1 N2 Co1 124.07(11) . . ?
N3 N2 Co1 121.24(11) . . ?
C8 N3 N2 110.15(14) . . ?
C8 N3 C9 129.21(14) . . ?
N2 N3 C9 119.88(15) . . ?
C10 N4 C14 117.18(14) . . ?
C10 N4 Co1 121.97(11) . . ?
C14 N4 Co1 119.53(11) . . ?
C16 N5 N6 110.33(14) . . ?
C16 N5 C15 130.04(14) . . ?
N6 N5 C15 119.26(14) . . ?
N7 N6 N5 108.22(14) . . ?
N7 N6 Co1 128.08(11) . . ?
N5 N6 Co1 123.42(11) . . ?
N6 N7 C17 108.05(14) . . ?
C32 C31 C36 120.3(2) . . ?
C32 C31 H31 119.8 . . ?
C36 C31 H31 119.8 . . ?
C33 C32 C31 120.2(3) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C34 C33 C32 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.3(3) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C36 C35 C34 120.4(2) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C31 118.7(2) . . ?
C35 C36 C37 121.2(2) . . ?
C31 C36 C37 120.02(18) . . ?
N31 C37 C38 108.14(17) . . ?
N31 C37 C36 121.20(17) . . ?
C38 C37 C36 130.52(18) . . ?
N33 C38 C37 105.41(16) . . ?
N33 C38 H38 127.3 . . ?
C37 C38 H38 127.3 . . ?
N33 C39 C40 113.71(15) . . ?
N33 C39 H39A 108.8 . . ?
C40 C39 H39A 108.8 . . ?
N33 C39 H39B 108.8 . . ?
C40 C39 H39B 108.8 . . ?
H39A C39 H39B 107.7 . . ?
N34 C40 C41 122.22(17) . . ?
N34 C40 C39 118.59(15) . . ?
C41 C40 C39 119.08(16) . . ?
C42 C41 C40 119.46(18) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C41 C42 C43 118.82(18) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
C42 C43 C44 119.20(18) . . ?
C42 C43 H43 120.4 . . ?
C44 C43 H43 120.4 . . ?
N34 C44 C43 122.57(16) . . ?
N34 C44 C45 119.66(15) . . ?
C43 C44 C45 117.65(16) . . ?
N35 C45 C44 114.85(14) . . ?
N35 C45 H45A 108.6 . . ?
C44 C45 H45A 108.6 . . ?
N35 C45 H45B 108.6 . . ?
C44 C45 H45B 108.6 . . ?
H45A C45 H45B 107.5 . . ?
N35 C46 C47 105.39(16) . . ?
N35 C46 H46 127.3 . . ?
C47 C46 H46 127.3 . . ?
N37 C47 C46 108.45(16) . . ?
N37 C47 C48 121.50(17) . . ?
C46 C47 C48 130.02(18) . . ?
C53 C48 C49 118.8(2) . . ?
C53 C48 C47 121.0(2) . . ?
C49 C48 C47 120.2(2) . . ?
C50 C49 C48 119.9(2) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C51 C50 C49 119.8(3) . . ?
C51 C50 H50 120.1 . . ?
C49 C50 H50 120.1 . . ?
C52 C51 C50 121.0(3) . . ?
C52 C51 H51 119.5 . . ?
C50 C51 H51 119.5 . . ?
C51 C52 C53 119.5(3) . . ?
C51 C52 H52 120.2 . . ?
C53 C52 H52 120.2 . . ?
C52 C53 C48 121.0(3) . . ?
C52 C53 H53 119.5 . . ?
C48 C53 H53 119.5 . . ?
N32 N31 C37 108.16(15) . . ?
N31 N32 N33 108.48(14) . . ?
N31 N32 Co1 126.23(11) . . ?
N33 N32 Co1 122.91(12) . . ?
C38 N33 N32 109.81(15) . . ?
C38 N33 C39 130.44(15) . . ?
N32 N33 C39 119.74(14) . . ?
C44 N34 C40 117.70(15) . . ?
C44 N34 Co1 121.28(11) . . ?
C40 N34 Co1 120.45(12) . . ?
C46 N35 N36 109.92(14) . . ?
C46 N35 C45 130.43(15) . . ?
N36 N35 C45 119.34(14) . . ?
N37 N36 N35 108.45(13) . . ?
N37 N36 Co1 125.29(11) . . ?
N35 N36 Co1 121.63(10) . . ?
N36 N37 C47 107.78(14) . . ?
O2 Cl1 O1 110.17(12) . . ?
O2 Cl1 O4 108.13(11) . . ?
O1 Cl1 O4 110.53(11) . . ?
O2 Cl1 O3 110.70(13) . . ?
O1 Cl1 O3 108.59(10) . . ?
O4 Cl1 O3 108.71(10) . . ?
O7 Cl2 O5 110.13(9) . . ?
O7 Cl2 O8 109.52(10) . . ?
O5 Cl2 O8 109.95(10) . . ?
O7 Cl2 O6 108.75(8) . . ?
O5 Cl2 O6 109.68(8) . . ?
O8 Cl2 O6 108.79(10) . . ?
N61 C61 C62 179.1(3) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C72 C71 H71A 109.5 . . ?
C72 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C72 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O71 C72 C71 114.7(5) . . ?
O71 C72 H72A 108.6 . . ?
C71 C72 H72A 108.6 . . ?
O71 C72 H72B 108.6 . . ?
C71 C72 H72B 108.6 . . ?
H72A C72 H72B 107.6 . . ?
C74 C73 O71 112.7(4) . . ?
C74 C73 H73A 109.0 . . ?
O71 C73 H73A 109.0 . . ?
C74 C73 H73B 109.0 . . ?
O71 C73 H73B 109.0 . . ?
H73A C73 H73B 107.8 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 O71 C73 113.9(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N6 2.0875(15) . ?
Co1 N2 2.0903(15) . ?
Co1 N32 2.0952(15) . ?
Co1 N36 2.0979(14) . ?
Co1 N4 2.1859(13) . ?
Co1 N34 2.1972(14) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C1 H1 0.9500 . ?
C2 C3 1.3900 . ?
C2 H2 0.9500 . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5 0.9500 . ?
C6 C7 1.4522 . ?
C1A C2A 1.3729 . ?
C1A C6A 1.4026 . ?
C2A C3A 1.3698 . ?
C3A C4A 1.2950 . ?
C4A C5A 1.4354 . ?
C5A C6A 1.4185 . ?
C6A C7 1.5684 . ?
C7 N1 1.3567(17) . ?
C7 C8 1.3805 . ?
C8 N3 1.3383(18) . ?
C8 H8 0.9500 . ?
C9 N3 1.458(2) . ?
C9 C10 1.513(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 N4 1.347(2) . ?
C10 C11 1.381(2) . ?
C11 C12 1.379(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.378(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.378(2) . ?
C13 H13 0.9500 . ?
C14 N4 1.356(2) . ?
C14 C15 1.513(2) . ?
C15 N5 1.467(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 N5 1.339(2) . ?
C16 C17 1.384(2) . ?
C16 H16 0.9500 . ?
C17 N7 1.355(2) . ?
C17 C18 1.470(2) . ?
C18 C23 1.381(3) . ?
C18 C19 1.386(3) . ?
C19 C20 1.389(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.370(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.372(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(3) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
N1 N2 1.3208(19) . ?
N2 N3 1.3449(18) . ?
N5 N6 1.3399(18) . ?
N6 N7 1.3244(18) . ?
C31 C32 1.382(3) . ?
C31 C36 1.393(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.370(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.369(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.379(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.473(3) . ?
C37 N31 1.354(2) . ?
C37 C38 1.380(3) . ?
C38 N33 1.339(2) . ?
C38 H38 0.9500 . ?
C39 N33 1.460(2) . ?
C39 C40 1.517(2) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 N34 1.355(2) . ?
C40 C41 1.383(2) . ?
C41 C42 1.374(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.379(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.386(2) . ?
C43 H43 0.9500 . ?
C44 N34 1.343(2) . ?
C44 C45 1.514(2) . ?
C45 N35 1.460(2) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 N35 1.336(2) . ?
C46 C47 1.378(2) . ?
C46 H46 0.9500 . ?
C47 N37 1.358(2) . ?
C47 C48 1.472(3) . ?
C48 C53 1.385(3) . ?
C48 C49 1.392(3) . ?
C49 C50 1.386(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.375(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.365(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.378(3) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
N31 N32 1.315(2) . ?
N32 N33 1.3428(18) . ?
N35 N36 1.3473(18) . ?
N36 N37 1.3174(18) . ?
Cl1 O2 1.4203(17) . ?
Cl1 O1 1.4231(15) . ?
Cl1 O4 1.4331(16) . ?
Cl1 O3 1.4341(16) . ?
Cl2 O7 1.4317(13) . ?
Cl2 O5 1.4332(13) . ?
Cl2 O8 1.4356(16) . ?
Cl2 O6 1.4377(13) . ?
C61 N61 1.124(3) . ?
C61 C62 1.455(4) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C71 C72 1.452(5) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 O71 1.324(5) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.381(4) . ?
C73 O71 1.428(4) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
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
C6 C1 C2 C3 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C4 C5 C6 C7 -175.4 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C1 C6 C7 175.6 . . . . ?
C6A C1A C2A C3A -0.8 . . . . ?
C1A C2A C3A C4A -7.9 . . . . ?
C2A C3A C4A C5A 7.6 . . . . ?
C3A C4A C5A C6A 1.0 . . . . ?
C2A C1A C6A C5A 8.9 . . . . ?
C2A C1A C6A C7 -174.9 . . . . ?
C4A C5A C6A C1A -9.0 . . . . ?
C4A C5A C6A C7 174.7 . . . . ?
C5 C6 C7 N1 21.17(14) . . . . ?
C1 C6 C7 N1 -154.32(14) . . . . ?
C5 C6 C7 C8 -158.3 . . . . ?
C1 C6 C7 C8 26.2 . . . . ?
C5 C6 C7 C6A 139.6 . . . . ?
C1 C6 C7 C6A -35.9 . . . . ?
C1A C6A C7 N1 146.81(15) . . . . ?
C5A C6A C7 N1 -37.13(15) . . . . ?
C1A C6A C7 C8 -48.6 . . . . ?
C5A C6A C7 C8 127.5 . . . . ?
C1A C6A C7 C6 77.8 . . . . ?
C5A C6A C7 C6 -106.1 . . . . ?
N1 C7 C8 N3 -0.25(12) . . . . ?
C6 C7 C8 N3 179.29(11) . . . . ?
C6A C7 C8 N3 -167.06(10) . . . . ?
N3 C9 C10 N4 39.8(2) . . . . ?
N3 C9 C10 C11 -143.96(16) . . . . ?
N4 C10 C11 C12 2.2(3) . . . . ?
C9 C10 C11 C12 -173.96(16) . . . . ?
C10 C11 C12 C13 -3.3(3) . . . . ?
C11 C12 C13 C14 0.7(3) . . . . ?
C12 C13 C14 N4 3.4(3) . . . . ?
C12 C13 C14 C15 -172.05(16) . . . . ?
N4 C14 C15 N5 67.3(2) . . . . ?
C13 C14 C15 N5 -117.03(17) . . . . ?
N5 C16 C17 N7 -0.1(2) . . . . ?
N5 C16 C17 C18 179.95(17) . . . . ?
N7 C17 C18 C23 177.74(18) . . . . ?
C16 C17 C18 C23 -2.3(3) . . . . ?
N7 C17 C18 C19 -0.3(3) . . . . ?
C16 C17 C18 C19 179.6(2) . . . . ?
C23 C18 C19 C20 -0.8(3) . . . . ?
C17 C18 C19 C20 177.29(19) . . . . ?
C18 C19 C20 C21 0.8(4) . . . . ?
C19 C20 C21 C22 0.1(4) . . . . ?
C20 C21 C22 C23 -0.9(4) . . . . ?
C19 C18 C23 C22 0.0(3) . . . . ?
C17 C18 C23 C22 -178.12(19) . . . . ?
C21 C22 C23 C18 0.9(3) . . . . ?
C8 C7 N1 N2 -0.37(14) . . . . ?
C6 C7 N1 N2 -179.96(9) . . . . ?
C6A C7 N1 N2 166.29(10) . . . . ?
C7 N1 N2 N3 0.84(17) . . . . ?
C7 N1 N2 Co1 152.93(10) . . . . ?
N6 Co1 N2 N1 -62(2) . . . . ?
N32 Co1 N2 N1 131.03(13) . . . . ?
N36 Co1 N2 N1 -46.97(13) . . . . ?
N4 Co1 N2 N1 -140.58(13) . . . . ?
N34 Co1 N2 N1 41.52(13) . . . . ?
N6 Co1 N2 N3 87(2) . . . . ?
N32 Co1 N2 N3 -80.29(13) . . . . ?
N36 Co1 N2 N3 101.72(13) . . . . ?
N4 Co1 N2 N3 8.10(13) . . . . ?
N34 Co1 N2 N3 -169.80(12) . . . . ?
C7 C8 N3 N2 0.77(14) . . . . ?
C7 C8 N3 C9 170.61(14) . . . . ?
N1 N2 N3 C8 -1.03(18) . . . . ?
Co1 N2 N3 C8 -154.06(11) . . . . ?
N1 N2 N3 C9 -171.95(13) . . . . ?
Co1 N2 N3 C9 35.02(19) . . . . ?
C10 C9 N3 C8 123.09(18) . . . . ?
C10 C9 N3 N2 -67.9(2) . . . . ?
C11 C10 N4 C14 1.8(2) . . . . ?
C9 C10 N4 C14 177.78(15) . . . . ?
C11 C10 N4 Co1 -165.08(13) . . . . ?
C9 C10 N4 Co1 10.9(2) . . . . ?
C13 C14 N4 C10 -4.6(2) . . . . ?
C15 C14 N4 C10 170.93(14) . . . . ?
C13 C14 N4 Co1 162.59(13) . . . . ?
C15 C14 N4 Co1 -21.87(19) . . . . ?
N6 Co1 N4 C10 151.02(13) . . . . ?
N2 Co1 N4 C10 -30.61(13) . . . . ?
N32 Co1 N4 C10 62.91(13) . . . . ?
N36 Co1 N4 C10 -115.92(13) . . . . ?
N34 Co1 N4 C10 98.4(11) . . . . ?
N6 Co1 N4 C14 -15.53(12) . . . . ?
N2 Co1 N4 C14 162.83(13) . . . . ?
N32 Co1 N4 C14 -103.65(13) . . . . ?
N36 Co1 N4 C14 77.52(13) . . . . ?
N34 Co1 N4 C14 -68.1(11) . . . . ?
C17 C16 N5 N6 0.52(19) . . . . ?
C17 C16 N5 C15 173.25(16) . . . . ?
C14 C15 N5 C16 126.59(18) . . . . ?
C14 C15 N5 N6 -61.2(2) . . . . ?
C16 N5 N6 N7 -0.76(19) . . . . ?
C15 N5 N6 N7 -174.38(13) . . . . ?
C16 N5 N6 Co1 -175.16(11) . . . . ?
C15 N5 N6 Co1 11.2(2) . . . . ?
N2 Co1 N6 N7 129.5(19) . . . . ?
N32 Co1 N6 N7 -63.04(14) . . . . ?
N36 Co1 N6 N7 114.97(14) . . . . ?
N4 Co1 N6 N7 -151.47(14) . . . . ?
N34 Co1 N6 N7 26.39(14) . . . . ?
N2 Co1 N6 N5 -57(2) . . . . ?
N32 Co1 N6 N5 110.20(13) . . . . ?
N36 Co1 N6 N5 -71.79(13) . . . . ?
N4 Co1 N6 N5 21.78(13) . . . . ?
N34 Co1 N6 N5 -160.37(13) . . . . ?
N5 N6 N7 C17 0.67(18) . . . . ?
Co1 N6 N7 C17 174.74(12) . . . . ?
C16 C17 N7 N6 -0.3(2) . . . . ?
C18 C17 N7 N6 179.60(15) . . . . ?
C36 C31 C32 C33 0.3(4) . . . . ?
C31 C32 C33 C34 1.8(4) . . . . ?
C32 C33 C34 C35 -2.2(4) . . . . ?
C33 C34 C35 C36 0.5(4) . . . . ?
C34 C35 C36 C31 1.7(3) . . . . ?
C34 C35 C36 C37 -175.0(2) . . . . ?
C32 C31 C36 C35 -2.1(3) . . . . ?
C32 C31 C36 C37 174.6(2) . . . . ?
C35 C36 C37 N31 173.95(19) . . . . ?
C31 C36 C37 N31 -2.7(3) . . . . ?
C35 C36 C37 C38 -1.2(3) . . . . ?
C31 C36 C37 C38 -177.8(2) . . . . ?
N31 C37 C38 N33 -0.5(2) . . . . ?
C36 C37 C38 N33 175.13(18) . . . . ?
N33 C39 C40 N34 62.7(2) . . . . ?
N33 C39 C40 C41 -120.95(19) . . . . ?
N34 C40 C41 C42 2.3(3) . . . . ?
C39 C40 C41 C42 -173.91(19) . . . . ?
C40 C41 C42 C43 -1.0(3) . . . . ?
C41 C42 C43 C44 -0.5(3) . . . . ?
C42 C43 C44 N34 0.9(3) . . . . ?
C42 C43 C44 C45 -175.18(18) . . . . ?
N34 C44 C45 N35 48.4(2) . . . . ?
C43 C44 C45 N35 -135.38(17) . . . . ?
N35 C46 C47 N37 -0.2(2) . . . . ?
N35 C46 C47 C48 -178.27(18) . . . . ?
N37 C47 C48 C53 -161.25(19) . . . . ?
C46 C47 C48 C53 16.6(3) . . . . ?
N37 C47 C48 C49 18.5(3) . . . . ?
C46 C47 C48 C49 -163.7(2) . . . . ?
C53 C48 C49 C50 1.0(3) . . . . ?
C47 C48 C49 C50 -178.7(2) . . . . ?
C48 C49 C50 C51 -1.0(4) . . . . ?
C49 C50 C51 C52 0.4(5) . . . . ?
C50 C51 C52 C53 0.3(5) . . . . ?
C51 C52 C53 C48 -0.3(4) . . . . ?
C49 C48 C53 C52 -0.4(4) . . . . ?
C47 C48 C53 C52 179.4(2) . . . . ?
C38 C37 N31 N32 0.1(2) . . . . ?
C36 C37 N31 N32 -175.99(16) . . . . ?
C37 N31 N32 N33 0.3(2) . . . . ?
C37 N31 N32 Co1 163.05(12) . . . . ?
N6 Co1 N32 N31 -51.24(15) . . . . ?
N2 Co1 N32 N31 128.40(15) . . . . ?
N36 Co1 N32 N31 -171.2(14) . . . . ?
N4 Co1 N32 N31 39.26(15) . . . . ?
N34 Co1 N32 N31 -139.17(15) . . . . ?
N6 Co1 N32 N33 109.18(14) . . . . ?
N2 Co1 N32 N33 -71.18(14) . . . . ?
N36 Co1 N32 N33 -10.8(16) . . . . ?
N4 Co1 N32 N33 -160.32(14) . . . . ?
N34 Co1 N32 N33 21.25(14) . . . . ?
C37 C38 N33 N32 0.7(2) . . . . ?
C37 C38 N33 C39 -178.68(17) . . . . ?
N31 N32 N33 C38 -0.6(2) . . . . ?
Co1 N32 N33 C38 -164.06(12) . . . . ?
N31 N32 N33 C39 178.81(15) . . . . ?
Co1 N32 N33 C39 15.4(2) . . . . ?
C40 C39 N33 C38 115.0(2) . . . . ?
C40 C39 N33 N32 -64.3(2) . . . . ?
C43 C44 N34 C40 0.2(3) . . . . ?
C45 C44 N34 C40 176.26(15) . . . . ?
C43 C44 N34 Co1 -171.16(14) . . . . ?
C45 C44 N34 Co1 4.9(2) . . . . ?
C41 C40 N34 C44 -1.8(3) . . . . ?
C39 C40 N34 C44 174.36(16) . . . . ?
C41 C40 N34 Co1 169.63(14) . . . . ?
C39 C40 N34 Co1 -14.2(2) . . . . ?
N6 Co1 N34 C44 61.98(13) . . . . ?
N2 Co1 N34 C44 -116.40(13) . . . . ?
N32 Co1 N34 C44 150.12(13) . . . . ?
N36 Co1 N34 C44 -31.10(13) . . . . ?
N4 Co1 N34 C44 114.6(11) . . . . ?
N6 Co1 N34 C40 -109.17(13) . . . . ?
N2 Co1 N34 C40 72.45(13) . . . . ?
N32 Co1 N34 C40 -21.03(13) . . . . ?
N36 Co1 N34 C40 157.76(13) . . . . ?
N4 Co1 N34 C40 -56.5(12) . . . . ?
C47 C46 N35 N36 0.72(19) . . . . ?
C47 C46 N35 C45 174.15(16) . . . . ?
C44 C45 N35 C46 118.23(19) . . . . ?
C44 C45 N35 N36 -68.9(2) . . . . ?
C46 N35 N36 N37 -0.96(18) . . . . ?
C45 N35 N36 N37 -175.22(13) . . . . ?
C46 N35 N36 Co1 -157.99(12) . . . . ?
C45 N35 N36 Co1 27.74(19) . . . . ?
N6 Co1 N36 N37 134.12(13) . . . . ?
N2 Co1 N36 N37 -45.46(13) . . . . ?
N32 Co1 N36 N37 -106.0(15) . . . . ?
N4 Co1 N36 N37 43.49(13) . . . . ?
N34 Co1 N36 N37 -138.04(13) . . . . ?
N6 Co1 N36 N35 -72.84(13) . . . . ?
N2 Co1 N36 N35 107.57(13) . . . . ?
N32 Co1 N36 N35 47.0(15) . . . . ?
N4 Co1 N36 N35 -163.48(12) . . . . ?
N34 Co1 N36 N35 15.00(12) . . . . ?
N35 N36 N37 C47 0.78(18) . . . . ?
Co1 N36 N37 C47 156.76(12) . . . . ?
C46 C47 N37 N36 -0.34(19) . . . . ?
C48 C47 N37 N36 177.90(16) . . . . ?
C71 C72 O71 C73 -179.1(4) . . . . ?
C74 C73 O71 C72 140.6(4) . . . . ?
