#------------------------------------------------------------------------------
#$Date: 2019-11-23 11:45:19 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233151 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/55/7235585.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_7235585
loop_
_publ_author_name
'Canaj, Angelos B.'
'Nodaraki, Lydia E.'
'Ślepokura, Katarzyna'
'Siczek, Milosz'
'Tzimopoulos, Demetrios I.'
'Lis, Tadeusz'
'Milios, Constantinos J.'
_publ_section_title
;
 A family of polynuclear cobalt complexes upon employment of an
 indeno-quinoxaline based oxime ligand
;
_journal_issue                   44
_journal_name_full               'RSC Adv.'
_journal_page_first              23068
_journal_paper_doi               10.1039/C4RA01914H
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety
'C160 H102 Co8 N32 O16, 2(Cl O4), C H4 O, 3(H2 O)'
_chemical_formula_sum            'C161 H112 Cl2 Co8 N32 O28'
_chemical_formula_weight         3485.17
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                113.14(3)
_cell_angle_beta                 106.62(3)
_cell_angle_gamma                103.07(3)
_cell_formula_units_Z            1
_cell_length_a                   15.941(6)
_cell_length_b                   16.820(7)
_cell_length_c                   17.005(5)
_cell_measurement_reflns_used    7217
_cell_measurement_temperature    100(2)
_cell_volume                     3709(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,2008'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,2008'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.824
_diffrn_measurement_device_type  KM4CCD
_diffrn_measurement_method       ω
_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  0.0662
_diffrn_reflns_av_sigmaI/netI    0.1823
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36057
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'pale brown'
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1114
_refine_ls_number_reflns         17925
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1850
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1214
_reflns_number_gt                6864
_reflns_number_total             17925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra01914h2.cif
_cod_data_source_block           at581ba
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_refine_ls_hydrogen_treatment' value 'CONSTR' was changed
to 'constr' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'TRICLINIC' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3709(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7235585
_cell_measurement_reflns_theta_min 2.87
_cell_measurement_reflns_theta_max 30.06
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 0.42362(4) 0.45951(4) 0.39605(4) 0.03725(18) Uani 1 1 d . . .
Co2 Co 0.33834(4) 0.50567(5) 0.53336(4) 0.04026(19) Uani 1 1 d . . .
Co3 Co 0.24184(5) 0.38416(5) 0.21032(4) 0.0503(2) Uani 1 1 d . . .
Co4 Co 0.47030(4) 0.40008(5) 0.21640(4) 0.04188(19) Uani 1 1 d . . .
N11 N 0.2282(3) 0.3454(3) 0.3324(3) 0.0463(11) Uani 1 1 d . . .
N21 N 0.0268(3) 0.2863(3) 0.2175(3) 0.0509(11) Uani 1 1 d . . .
N31 N -0.0808(3) 0.1559(3) 0.2572(3) 0.0605(12) Uani 1 1 d . . .
O11 O 0.3157(2) 0.3788(2) 0.40886(19) 0.0403(8) Uani 1 1 d . . .
O14 O 0.4952(2) 0.4790(2) 0.6561(2) 0.0521(9) Uani 1 1 d . . .
O13 O 0.6402(2) 0.3778(2) 0.3550(2) 0.0449(8) Uani 1 1 d . . .
C11 C -0.0715(4) 0.2593(3) 0.1876(3) 0.0485(13) Uani 1 1 d . . .
C21 C -0.1158(4) 0.2990(4) 0.1396(3) 0.0585(15) Uani 1 1 d . . .
H21 H -0.0812 0.3395 0.1235 0.070 Uiso 1 1 calc R . .
C31 C -0.2118(4) 0.2781(4) 0.1157(4) 0.0648(16) Uani 1 1 d . . .
H31 H -0.2423 0.3071 0.0852 0.078 Uiso 1 1 calc R . .
C41 C -0.2653(4) 0.2157(4) 0.1350(4) 0.0619(16) Uani 1 1 d . . .
H41 H -0.3317 0.2000 0.1152 0.074 Uiso 1 1 calc R . .
C51 C -0.2206(4) 0.1783(4) 0.1823(4) 0.0694(17) Uani 1 1 d . . .
H51 H -0.2563 0.1376 0.1973 0.083 Uiso 1 1 calc R . .
C61 C -0.1225(4) 0.1976(4) 0.2102(4) 0.0538(14) Uani 1 1 d . . .
C71 C 0.0108(4) 0.1809(3) 0.2819(4) 0.0501(14) Uani 1 1 d . . .
C81 C 0.0773(4) 0.1533(4) 0.3349(3) 0.0485(13) Uani 1 1 d . . .
C91 C 0.0597(4) 0.0848(4) 0.3604(4) 0.0604(15) Uani 1 1 d . . .
H91 H -0.0027 0.0509 0.3494 0.072 Uiso 1 1 calc R . .
C101 C 0.1369(4) 0.0674(4) 0.4030(3) 0.0593(15) Uani 1 1 d . . .
H101 H 0.1271 0.0202 0.4207 0.071 Uiso 1 1 calc R . .
C111 C 0.2280(4) 0.1183(4) 0.4198(3) 0.0549(14) Uani 1 1 d . . .
H111 H 0.2794 0.1042 0.4474 0.066 Uiso 1 1 calc R . .
C121 C 0.2450(4) 0.1892(3) 0.3970(3) 0.0488(13) Uani 1 1 d . . .
H121 H 0.3077 0.2247 0.4103 0.059 Uiso 1 1 calc R . .
C131 C 0.1693(4) 0.2071(3) 0.3548(3) 0.0471(13) Uani 1 1 d . . .
C141 C 0.1664(3) 0.2718(4) 0.3167(3) 0.0457(13) Uani 1 1 d . . .
C151 C 0.0640(4) 0.2465(3) 0.2642(3) 0.0458(13) Uani 1 1 d . . .
O12 O 0.3631(2) 0.3488(2) 0.2518(2) 0.0463(9) Uani 1 1 d . . .
N12 N 0.3584(3) 0.2666(4) 0.2530(3) 0.0589(12) Uani 1 1 d . . .
N22 N 0.1724(3) 0.2441(4) 0.0991(3) 0.0684(14) Uani 1 1 d . . .
N32 N 0.0767(5) 0.0475(4) -0.0331(5) 0.091(2) Uani 1 1 d . . .
C12 C 0.1000(4) 0.2119(5) 0.0151(5) 0.0671(17) Uani 1 1 d . . .
C22 C 0.0707(4) 0.2721(6) -0.0128(4) 0.090(2) Uani 1 1 d . . .
H22 H 0.1007 0.3374 0.0302 0.108 Uiso 1 1 calc R . .
C32 C 0.0016(5) 0.2426(7) -0.0979(6) 0.108(3) Uani 1 1 d . . .
H32 H -0.0154 0.2858 -0.1152 0.129 Uiso 1 1 calc R . .
C42 C -0.0458(6) 0.1419(9) -0.1621(6) 0.128(4) Uani 1 1 d . . .
H42 H -0.0951 0.1192 -0.2220 0.154 Uiso 1 1 calc R . .
C52 C -0.0214(6) 0.0815(7) -0.1385(6) 0.115(3) Uani 1 1 d . . .
H52 H -0.0543 0.0161 -0.1809 0.138 Uiso 1 1 calc R . .
C62 C 0.0535(6) 0.1139(7) -0.0504(5) 0.089(2) Uani 1 1 d . . .
C72 C 0.1517(6) 0.0814(5) 0.0491(5) 0.080(2) Uani 1 1 d . . .
C82 C 0.1984(6) 0.0336(6) 0.0883(6) 0.091(2) Uani 1 1 d . . .
C92 C 0.1802(6) -0.0598(6) 0.0544(6) 0.109(3) Uani 1 1 d . . .
H92 H 0.1284 -0.1038 -0.0046 0.131 Uiso 1 1 calc R . .
C102 C 0.2332(8) -0.0905(7) 0.1022(8) 0.135(4) Uani 1 1 d . . .
H102 H 0.2204 -0.1555 0.0779 0.162 Uiso 1 1 calc R . .
C112 C 0.3088(6) -0.0235(6) 0.1898(7) 0.113(3) Uani 1 1 d . . .
H112 H 0.3466 -0.0448 0.2246 0.136 Uiso 1 1 calc R . .
C122 C 0.3306(5) 0.0712(5) 0.2276(5) 0.088(2) Uani 1 1 d . . .
H122 H 0.3815 0.1145 0.2874 0.106 Uiso 1 1 calc R . .
C132 C 0.2768(5) 0.1007(4) 0.1763(5) 0.0706(19) Uani 1 1 d . . .
C142 C 0.2809(5) 0.1920(5) 0.1894(4) 0.0651(17) Uani 1 1 d . . .
C152 C 0.2002(5) 0.1822(5) 0.1139(4) 0.0655(17) Uani 1 1 d . . .
N13 N 0.5658(3) 0.3429(3) 0.2740(3) 0.0404(10) Uani 1 1 d . . .
N23 N 0.4162(3) 0.2620(3) 0.0944(3) 0.0428(10) Uani 1 1 d . . .
N33 N 0.3669(3) 0.0630(3) -0.0127(3) 0.0522(11) Uani 1 1 d . . .
C13 C 0.3445(3) 0.2084(4) 0.0038(3) 0.0445(13) Uani 1 1 d . . .
C23 C 0.2949(3) 0.2514(4) -0.0376(3) 0.0478(13) Uani 1 1 d . . .
H23 H 0.3094 0.3166 -0.0036 0.057 Uiso 1 1 calc R . .
C33 C 0.2258(3) 0.1979(4) -0.1271(4) 0.0562(15) Uani 1 1 d . . .
H33 H 0.1921 0.2268 -0.1549 0.067 Uiso 1 1 calc R . .
C43 C 0.2038(4) 0.1046(5) -0.1778(4) 0.0576(15) Uani 1 1 d . . .
H43 H 0.1555 0.0699 -0.2402 0.069 Uiso 1 1 calc R . .
C53 C 0.2502(4) 0.0592(4) -0.1403(4) 0.0592(15) Uani 1 1 d . . .
H53 H 0.2341 -0.0062 -0.1760 0.071 Uiso 1 1 calc R . .
C63 C 0.3223(3) 0.1125(4) -0.0474(3) 0.0457(13) Uani 1 1 d . . .
C73 C 0.4343(3) 0.1170(4) 0.0742(4) 0.0464(13) Uani 1 1 d . . .
C83 C 0.4960(3) 0.0923(4) 0.1362(4) 0.0455(13) Uani 1 1 d . . .
C93 C 0.4975(4) 0.0061(4) 0.1231(4) 0.0582(15) Uani 1 1 d . . .
H93 H 0.4567 -0.0494 0.0651 0.070 Uiso 1 1 calc R . .
C103 C 0.5597(4) 0.0028(4) 0.1963(4) 0.0625(16) Uani 1 1 d . . .
H103 H 0.5619 -0.0558 0.1883 0.075 Uiso 1 1 calc R . .
C113 C 0.6185(4) 0.0831(4) 0.2806(4) 0.0530(14) Uani 1 1 d . . .
H113 H 0.6602 0.0788 0.3299 0.064 Uiso 1 1 calc R . .
C123 C 0.6182(3) 0.1691(4) 0.2950(3) 0.0469(13) Uani 1 1 d . . .
H123 H 0.6590 0.2240 0.3535 0.056 Uiso 1 1 calc R . .
C133 C 0.5568(3) 0.1740(4) 0.2222(3) 0.0404(12) Uani 1 1 d . . .
C143 C 0.5351(3) 0.2534(4) 0.2170(3) 0.0394(12) Uani 1 1 d . . .
C153 C 0.4582(3) 0.2144(4) 0.1249(3) 0.0405(12) Uani 1 1 d . . .
N14 N 0.4050(3) 0.4518(3) 0.6100(3) 0.0549(12) Uani 1 1 d . . .
N24 N 0.2096(3) 0.4063(3) 0.5328(3) 0.0470(11) Uani 1 1 d . . .
N34 N 0.1102(3) 0.2679(3) 0.5698(3) 0.0588(12) Uani 1 1 d . . .
C14 C 0.1129(4) 0.3775(4) 0.5052(3) 0.0558(15) Uani 1 1 d . . .
C24 C 0.0606(4) 0.4130(3) 0.4559(3) 0.0541(14) Uani 1 1 d . . .
H24 H 0.0926 0.4574 0.4423 0.065 Uiso 1 1 calc R . .
C34 C -0.0342(4) 0.3853(4) 0.4276(4) 0.0677(17) Uani 1 1 d . . .
H34 H -0.0687 0.4100 0.3944 0.081 Uiso 1 1 calc R . .
C44 C -0.0816(4) 0.3194(4) 0.4476(4) 0.0757(18) Uani 1 1 d . . .
H44 H -0.1484 0.2995 0.4271 0.091 Uiso 1 1 calc R . .
C54 C -0.0337(4) 0.2830(4) 0.4960(4) 0.0712(17) Uani 1 1 d . . .
H54 H -0.0672 0.2395 0.5096 0.085 Uiso 1 1 calc R . .
C64 C 0.0636(4) 0.3097(4) 0.5249(4) 0.0579(15) Uani 1 1 d . . .
C74 C 0.2001(4) 0.2926(4) 0.5902(3) 0.0530(14) Uani 1 1 d . . .
C84 C 0.2699(4) 0.2622(4) 0.6330(3) 0.0514(14) Uani 1 1 d . . .
C94 C 0.2594(4) 0.1919(4) 0.6560(3) 0.0615(15) Uani 1 1 d . . .
H94 H 0.1999 0.1589 0.6516 0.074 Uiso 1 1 calc R . .
C104 C 0.3371(5) 0.1699(4) 0.6857(4) 0.0719(17) Uani 1 1 d . . .
H104 H 0.3304 0.1211 0.7012 0.086 Uiso 1 1 calc R . .
C114 C 0.4256(4) 0.2188(4) 0.6931(3) 0.0676(17) Uani 1 1 d . . .
H114 H 0.4780 0.2022 0.7122 0.081 Uiso 1 1 calc R . .
C124 C 0.4359(4) 0.2915(4) 0.6725(3) 0.0599(15) Uani 1 1 d . . .
H124 H 0.4961 0.3265 0.6798 0.072 Uiso 1 1 calc R . .
C134 C 0.3594(4) 0.3128(4) 0.6418(3) 0.0551(15) Uani 1 1 d . . .
C144 C 0.3460(4) 0.3773(4) 0.6087(3) 0.0581(15) Uani 1 1 d . . .
C154 C 0.2461(4) 0.3629(4) 0.5701(3) 0.0488(14) Uani 1 1 d . . .
O15 O 0.2918(2) 0.4431(2) 0.1430(2) 0.0527(9) Uani 1 1 d . . .
N15 N 0.3794(3) 0.4534(3) 0.1541(2) 0.0434(10) Uani 1 1 d . . .
N25 N 0.5656(3) 0.4762(3) 0.1754(2) 0.0385(10) Uani 1 1 d . . .
N35 N 0.6373(3) 0.6037(3) 0.1126(2) 0.0437(10) Uani 1 1 d . . .
C15 C 0.6577(3) 0.5015(3) 0.1828(3) 0.0389(12) Uani 1 1 d . . .
C25 C 0.7199(3) 0.4692(3) 0.2261(3) 0.0424(12) Uani 1 1 d . . .
H25 H 0.6987 0.4291 0.2491 0.051 Uiso 1 1 calc R . .
C35 C 0.8120(4) 0.4956(4) 0.2352(3) 0.0512(14) Uani 1 1 d . . .
H35 H 0.8548 0.4766 0.2681 0.061 Uiso 1 1 calc R . .
C45 C 0.8435(3) 0.5493(4) 0.1976(3) 0.0546(15) Uani 1 1 d . . .
H45 H 0.9058 0.5630 0.2005 0.065 Uiso 1 1 calc R . .
C55 C 0.7840(3) 0.5826(4) 0.1562(3) 0.0525(14) Uani 1 1 d . . .
H55 H 0.8063 0.6208 0.1317 0.063 Uiso 1 1 calc R . .
C65 C 0.6907(3) 0.5614(4) 0.1491(3) 0.0444(13) Uani 1 1 d . . .
C75 C 0.5525(3) 0.5820(3) 0.1110(3) 0.0417(12) Uani 1 1 d . . .
C85 C 0.4784(3) 0.6167(3) 0.0846(3) 0.0405(12) Uani 1 1 d . . .
C95 C 0.4797(3) 0.6860(4) 0.0609(3) 0.0511(14) Uani 1 1 d . . .
H95 H 0.5325 0.7157 0.0532 0.061 Uiso 1 1 calc R . .
C105 C 0.4023(4) 0.7116(4) 0.0486(3) 0.0591(15) Uani 1 1 d . . .
H105 H 0.4028 0.7601 0.0330 0.071 Uiso 1 1 calc R . .
C115 C 0.3239(4) 0.6678(4) 0.0585(3) 0.0562(15) Uani 1 1 d . . .
H115 H 0.2718 0.6869 0.0498 0.067 Uiso 1 1 calc R . .
C125 C 0.3209(3) 0.5970(4) 0.0809(3) 0.0472(13) Uani 1 1 d . . .
H125 H 0.2668 0.5657 0.0860 0.057 Uiso 1 1 calc R . .
C135 C 0.3998(3) 0.5732(3) 0.0957(3) 0.0389(12) Uani 1 1 d . . .
C145 C 0.4220(3) 0.5093(3) 0.1285(3) 0.0378(12) Uani 1 1 d . . .
C155 C 0.5178(3) 0.5179(3) 0.1403(3) 0.0394(12) Uani 1 1 d . . .
O16 O 0.25997(19) 0.5470(2) 0.4474(2) 0.0412(8) Uani 1 1 d . . .
O26 O 0.3206(2) 0.5058(2) 0.34019(19) 0.0414(8) Uani 1 1 d . . .
N16 N 0.1429(2) 0.4484(3) 0.2107(2) 0.0489(11) Uani 1 1 d . . .
H16A H 0.1262 0.4566 0.1587 0.059 Uiso 1 1 calc R . .
H16B H 0.0891 0.4107 0.2078 0.059 Uiso 1 1 calc R . .
C16 C 0.2597(3) 0.5321(3) 0.3694(3) 0.0419(12) Uani 1 1 d . . .
C26 C 0.1852(3) 0.5411(4) 0.2983(3) 0.0452(13) Uani 1 1 d . . .
C36 C 0.2350(3) 0.6187(4) 0.2816(3) 0.0563(15) Uani 1 1 d . . .
H36A H 0.2811 0.6022 0.2575 0.085 Uiso 1 1 calc R . .
H36B H 0.2678 0.6780 0.3411 0.085 Uiso 1 1 calc R . .
H36C H 0.1878 0.6254 0.2357 0.085 Uiso 1 1 calc R . .
C46 C 0.1093(3) 0.5634(4) 0.3304(3) 0.0631(16) Uani 1 1 d . . .
H46A H 0.0657 0.5731 0.2846 0.095 Uiso 1 1 calc R . .
H46B H 0.1395 0.6202 0.3921 0.095 Uiso 1 1 calc R . .
H46C H 0.0740 0.5110 0.3353 0.095 Uiso 1 1 calc R . .
O1M O 0.53423(19) 0.4331(2) 0.46946(18) 0.0344(7) Uani 1 1 d . . .
C1M C 0.5155(3) 0.3415(3) 0.4613(3) 0.0458(13) Uani 1 1 d . . .
H1M1 H 0.5701 0.3433 0.5078 0.069 Uiso 1 1 calc R . .
H1M2 H 0.5045 0.2961 0.3979 0.069 Uiso 1 1 calc R . .
H1M3 H 0.4592 0.3228 0.4726 0.069 Uiso 1 1 calc R . .
Cl1 Cl 0.2256(3) -0.1229(3) 0.4564(3) 0.0986(11) Uani 0.50 1 d P . .
O1 O 0.2493(4) -0.1807(4) 0.4807(4) 0.0482(18) Uani 0.50 1 d P . .
O2 O 0.1270(7) -0.1878(7) 0.3488(7) 0.116(4) Uani 0.50 1 d P . .
O3 O 0.1996(7) -0.0701(6) 0.5292(8) 0.109(3) Uani 0.50 1 d P . .
O4 O 0.2948(10) -0.0641(12) 0.4502(15) 0.279(10) Uani 0.50 1 d P . .
O3W O 0.1765(9) -0.0755(9) 0.6220(9) 0.185(5) Uani 0.50 1 d P . .
Cl2 Cl 0.0020(6) 0.5181(7) 0.0278(3) 0.149(3) Uani 0.50 1 d P A -1
O5 O 0.0795(8) 0.4863(15) 0.0396(10) 0.082(4) Uani 0.50 1 d P A -1
O6 O 0.0089(7) 0.5752(11) 0.1078(10) 0.139(5) Uani 0.50 1 d P A -1
O7 O -0.0827(9) 0.4062(12) -0.0133(14) 0.246(9) Uani 0.50 1 d P A -1
O8 O -0.0328(13) 0.526(2) -0.0377(17) 0.203(14) Uani 0.50 1 d P A -1
O1W O -0.0332(4) 0.8512(4) 0.3617(5) 0.067(3) Uani 0.584(8) 1 d P . .
O2W O 0.0436(8) 0.9599(11) 0.5117(11) 0.162(8) Uani 0.416(8) 1 d P . .
O2M O 0.5149(7) 0.1274(8) 0.4796(9) 0.129(4) Uani 0.50 1 d PD . .
H2M H 0.4570 0.1067 0.4674 0.194 Uiso 0.50 1 calc PR . .
C2M C 0.5463(11) 0.0633(10) 0.4721(10) 0.127(6) Uani 0.50 1 d PD . .
H2M1 H 0.6101 0.0835 0.4745 0.190 Uiso 0.50 1 calc PR . .
H2M2 H 0.5042 0.0063 0.4120 0.190 Uiso 0.50 1 calc PR . .
H2M3 H 0.5489 0.0505 0.5241 0.190 Uiso 0.50 1 calc PR . .
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
O11 Co1 O1M 90.68(12) . 2_666
O11 Co1 O14 163.82(12) . 2_666
O1M Co1 O14 102.86(12) 2_666 2_666
O11 Co1 O1M 97.76(12) . .
O1M Co1 O1M 80.62(12) 2_666 .
O14 Co1 O1M 93.20(12) 2_666 .
O11 Co1 O26 84.44(12) . .
O1M Co1 O26 91.13(12) 2_666 .
O14 Co1 O26 86.46(12) 2_666 .
O1M Co1 O26 171.47(12) . .
O11 Co1 O12 85.67(12) . .
O1M Co1 O12 173.08(11) 2_666 .
O14 Co1 O12 79.92(12) 2_666 .
O1M Co1 O12 105.67(12) . .
O26 Co1 O12 82.68(13) . .
O11 Co1 Co2 47.86(9) . .
O1M Co1 Co2 44.67(8) 2_666 .
O14 Co1 Co2 141.76(10) 2_666 .
O1M Co1 Co2 98.70(8) . .
O26 Co1 Co2 76.62(8) . .
O12 Co1 Co2 130.11(9) . .
O13 Co2 N14 95.18(14) 2_666 .
O13 Co2 O16 88.80(12) 2_666 .
N14 Co2 O16 174.26(16) . .
O13 Co2 O1M 92.61(12) 2_666 2_666
N14 Co2 O1M 89.40(16) . 2_666
O16 Co2 O1M 94.56(11) . 2_666
O13 Co2 O11 178.80(12) 2_666 .
N14 Co2 O11 85.63(14) . .
O16 Co2 O11 90.46(12) . .
O1M Co2 O11 86.51(11) 2_666 .
O13 Co2 N24 97.28(13) 2_666 .
N14 Co2 N24 78.89(18) . .
O16 Co2 N24 96.53(14) . .
O1M Co2 N24 165.27(13) 2_666 .
O11 Co2 N24 83.74(13) . .
N14 Co2 Co1 96.25(12) . .
O16 Co2 Co1 83.76(9) . .
O1M Co2 Co1 44.23(8) 2_666 .
O11 Co2 Co1 44.01(8) . .
N24 Co2 Co1 127.68(10) . .
O15 Co3 O26 92.51(13) . .
O15 Co3 N16 90.90(14) . .
O26 Co3 N16 80.55(14) . .
O15 Co3 N22 98.66(16) . .
O26 Co3 N22 165.30(17) . .
N16 Co3 N22 108.65(19) . .
O15 Co3 O12 93.39(13) . .
O26 Co3 O12 83.42(12) . .
N16 Co3 O12 163.56(13) . .
N22 Co3 O12 86.39(18) . .
O12 Co4 N15 86.28(14) . .
O12 Co4 O14 80.61(13) . 2_666
N15 Co4 O14 84.47(14) . 2_666
O12 Co4 N23 88.19(13) . .
N15 Co4 N23 97.21(15) . .
O14 Co4 N23 168.56(12) 2_666 .
O12 Co4 N13 96.04(13) . .
N15 Co4 N13 176.90(14) . .
O14 Co4 N13 97.92(15) 2_666 .
N23 Co4 N13 80.84(16) . .
O12 Co4 N25 166.30(13) . .
N15 Co4 N25 80.77(15) . .
O14 Co4 N25 93.60(13) 2_666 .
N23 Co4 N25 97.83(14) . .
N13 Co4 N25 97.06(14) . .
C141 N11 O11 114.4(4) . .
C151 N21 C11 114.0(4) . .
C71 N31 C61 114.4(4) . .
N11 O11 Co1 110.9(2) . .
N11 O11 Co2 112.8(2) . .
Co1 O11 Co2 88.13(12) . .
N14 O14 Co1 113.9(3) . 2_666
N14 O14 Co4 104.2(3) . 2_666
Co1 O14 Co4 98.72(14) 2_666 2_666
N13 O13 Co2 120.0(3) . 2_666
C21 C11 N21 117.7(5) . .
C21 C11 C61 121.4(5) . .
N21 C11 C61 120.8(5) . .
C31 C21 C11 118.2(5) . .
C31 C21 H21 120.9 . .
C11 C21 H21 120.9 . .
C21 C31 C41 122.1(5) . .
C21 C31 H31 119.0 . .
C41 C31 H31 119.0 . .
C51 C41 C31 118.7(5) . .
C51 C41 H41 120.7 . .
C31 C41 H41 120.7 . .
C41 C51 C61 122.3(5) . .
C41 C51 H51 118.8 . .
C61 C51 H51 118.8 . .
N31 C61 C11 123.0(5) . .
N31 C61 C51 119.8(5) . .
C11 C61 C51 117.2(5) . .
N31 C71 C151 123.3(5) . .
C151 C71 C81 107.7(4) . .
C91 C81 C131 121.9(5) . .
C131 C81 C71 108.1(4) . .
C81 C91 C101 117.6(5) . .
C81 C91 H91 121.2 . .
C101 C91 H91 121.2 . .
C111 C101 C91 120.7(5) . .
C111 C101 H101 119.7 . .
C91 C101 H101 119.7 . .
C121 C111 C101 121.1(5) . .
C121 C111 H111 119.4 . .
C101 C111 H111 119.4 . .
C131 C121 C111 118.8(5) . .
C131 C121 H121 120.6 . .
C111 C121 H121 120.6 . .
C121 C131 C81 119.8(5) . .
C81 C131 C141 110.1(5) . .
N11 C141 C131 133.5(5) . .
N11 C141 C151 120.9(5) . .
C131 C141 C151 104.5(4) . .
N21 C151 C141 126.2(5) . .
C71 C151 C141 109.0(4) . .
N12 O12 Co4 113.4(3) . .
N12 O12 Co1 107.6(3) . .
Co4 O12 Co1 97.07(14) . .
Co4 O12 Co3 113.90(15) . .
Co1 O12 Co3 93.80(13) . .
C142 N12 O12 116.3(5) . .
C152 N22 C12 116.7(6) . .
C152 N22 Co3 116.8(4) . .
C12 N22 Co3 126.5(5) . .
C72 N32 C62 114.8(7) . .
N22 C12 C22 122.0(7) . .
N22 C12 C62 120.6(7) . .
C22 C12 C62 117.4(7) . .
C32 C22 C12 123.5(8) . .
C32 C22 H22 118.2 . .
C12 C22 H22 118.2 . .
C22 C32 C42 117.6(8) . .
C22 C32 H32 121.2 . .
C42 C32 H32 121.2 . .
C52 C42 C32 121.3(9) . .
C52 C42 H42 119.3 . .
C32 C42 H42 119.3 . .
C42 C52 C62 120.3(10) . .
C42 C52 H52 119.9 . .
C62 C52 H52 119.9 . .
N32 C62 C52 116.6(9) . .
N32 C62 C12 123.5(8) . .
C52 C62 C12 119.9(9) . .
N32 C72 C82 130.4(8) . .
N32 C72 C152 120.8(8) . .
C82 C72 C152 108.8(7) . .
C92 C82 C132 119.8(9) . .
C92 C82 C72 130.9(9) . .
C132 C82 C72 109.4(7) . .
C102 C92 C82 121.6(10) . .
C102 C92 H92 119.2 . .
C82 C92 H92 119.2 . .
C92 C102 C112 117.8(10) . .
C92 C102 H102 121.1 . .
C112 C102 H102 121.1 . .
C122 C112 C102 123.3(9) . .
C122 C112 H112 118.4 . .
C102 C112 H112 118.4 . .
C132 C122 C112 117.7(8) . .
C132 C122 H122 121.2 . .
C112 C122 H122 121.2 . .
C122 C132 C82 119.8(7) . .
C122 C132 C142 133.7(8) . .
C82 C132 C142 106.5(7) . .
N12 C142 C132 119.5(7) . .
C132 C142 C152 110.1(6) . .
N22 C152 C142 131.8(6) . .
N22 C152 C72 123.3(7) . .
C142 C152 C72 105.0(7) . .
C143 N13 O13 116.5(4) . .
C143 N13 Co4 109.3(3) . .
C153 N23 Co4 105.2(3) . .
C13 N23 Co4 139.7(4) . .
C73 N33 C63 113.0(4) . .
N23 C13 C63 120.5(5) . .
N23 C13 C23 119.8(5) . .
C63 C13 C23 119.7(5) . .
C33 C23 C13 118.9(5) . .
C33 C23 H23 120.5 . .
C13 C23 H23 120.5 . .
C43 C33 C23 122.0(5) . .
C43 C33 H33 119.0 . .
C23 C33 H33 119.0 . .
C33 C43 C53 121.3(5) . .
C33 C43 H43 119.4 . .
C53 C43 H43 119.4 . .
C43 C53 C63 118.3(5) . .
C43 C53 H53 120.8 . .
C63 C53 H53 120.8 . .
C13 C63 C53 119.8(5) . .
N33 C63 C53 116.0(5) . .
N33 C73 C153 122.7(5) . .
N33 C73 C83 130.0(5) . .
C153 C73 C83 107.4(5) . .
C93 C83 C133 120.3(5) . .
C93 C83 C73 130.7(5) . .
C133 C83 C73 108.9(4) . .
C103 C93 C83 118.5(5) . .
C103 C93 H93 120.8 . .
C83 C93 H93 120.8 . .
C113 C103 C93 120.9(5) . .
C113 C103 H103 119.5 . .
C93 C103 H103 119.5 . .
C123 C113 C103 121.6(5) . .
C123 C113 H113 119.2 . .
C103 C113 H113 119.2 . .
C113 C123 C133 118.4(5) . .
C113 C123 H123 120.8 . .
C133 C123 H123 120.8 . .
C123 C133 C83 120.4(5) . .
C123 C133 C143 131.7(5) . .
C83 C133 C143 107.8(4) . .
N13 C143 C153 117.7(5) . .
N13 C143 C133 135.6(4) . .
C153 C143 C133 106.7(5) . .
N23 C153 C73 125.3(4) . .
N23 C153 C143 125.4(5) . .
C73 C153 C143 109.2(5) . .
O14 N14 C144 117.8(4) . .
O14 N14 Co2 126.9(4) . .
C144 N14 Co2 115.3(4) . .
C154 N24 C14 113.0(5) . .
C154 N24 Co2 103.5(3) . .
C14 N24 Co2 143.5(4) . .
C74 N34 C64 115.4(5) . .
N24 C14 C24 120.2(5) . .
N24 C14 C64 120.9(5) . .
C24 C14 C64 118.9(5) . .
C34 C24 C14 121.3(5) . .
C34 C24 H24 119.4 . .
C14 C24 H24 119.4 . .
C24 C34 C44 119.3(5) . .
C24 C34 H34 120.3 . .
C44 C34 H34 120.3 . .
C54 C44 C34 121.7(6) . .
C54 C44 H44 119.2 . .
C34 C44 H44 119.2 . .
C44 C54 C64 120.0(6) . .
C44 C54 H54 120.0 . .
C64 C54 H54 120.0 . .
C54 C64 N34 118.9(5) . .
C54 C64 C14 118.8(5) . .
N34 C64 C14 122.2(5) . .
N34 C74 C84 131.0(5) . .
N34 C74 C154 119.7(5) . .
C84 C74 C154 109.3(5) . .
C94 C84 C134 120.3(5) . .
C94 C84 C74 130.9(5) . .
C134 C84 C74 108.5(5) . .
C84 C94 C104 118.9(5) . .
C84 C94 H94 120.5 . .
C104 C94 H94 120.5 . .
C94 C104 C114 120.9(6) . .
C94 C104 H104 119.5 . .
C114 C104 H104 119.5 . .
C124 C114 C104 119.6(5) . .
C124 C114 H114 120.2 . .
C104 C114 H114 120.2 . .
C134 C124 C114 119.9(5) . .
C134 C124 H124 120.0 . .
C114 C124 H124 120.0 . .
C124 C134 C84 120.2(5) . .
C124 C134 C144 132.9(6) . .
C84 C134 C144 106.8(5) . .
N14 C144 C134 135.1(6) . .
N14 C144 C154 113.6(5) . .
C134 C144 C154 111.2(5) . .
N24 C154 C74 128.7(5) . .
N24 C154 C144 127.3(5) . .
C74 C154 C144 103.9(5) . .
N15 O15 Co3 115.8(3) . .
O15 N15 C145 117.6(4) . .
C145 N15 Co4 112.4(3) . .
C155 N25 C15 112.9(4) . .
C155 N25 Co4 104.7(3) . .
C15 N25 Co4 142.0(3) . .
C75 N35 C65 113.6(4) . .
N25 C15 C25 119.7(4) . .
N25 C15 C65 121.1(4) . .
C25 C15 C65 119.2(4) . .
C35 C25 C15 119.9(5) . .
C35 C25 H25 120.0 . .
C15 C25 H25 120.0 . .
C25 C35 C45 121.4(5) . .
C25 C35 H35 119.3 . .
C45 C35 H35 119.3 . .
C55 C45 C35 119.4(5) . .
C55 C45 H45 120.3 . .
C35 C45 H45 120.3 . .
C45 C55 C65 121.3(5) . .
C45 C55 H55 119.4 . .
C65 C55 H55 119.4 . .
N35 C65 C55 117.8(4) . .
N35 C65 C15 123.6(4) . .
C55 C65 C15 118.5(4) . .
N35 C75 C155 122.6(4) . .
N35 C75 C85 130.1(5) . .
C155 C75 C85 107.4(4) . .
C95 C85 C135 120.1(4) . .
C95 C85 C75 130.7(4) . .
C135 C85 C75 108.9(4) . .
C85 C95 C105 118.7(5) . .
C85 C95 H95 120.7 . .
C105 C95 H95 120.7 . .
C95 C105 C115 121.3(5) . .
C95 C105 H105 119.4 . .
C115 C105 H105 119.4 . .
C125 C115 C105 120.8(5) . .
C125 C115 H115 119.6 . .
C105 C115 H115 119.6 . .
C115 C125 C135 117.7(5) . .
C115 C125 H125 121.2 . .
C135 C125 H125 121.2 . .
C125 C135 C85 121.4(4) . .
C125 C135 C145 130.8(4) . .
C85 C135 C145 107.7(4) . .
N15 C145 C155 116.2(4) . .
N15 C145 C135 135.9(4) . .
C155 C145 C135 107.8(4) . .
N25 C155 C75 126.1(4) . .
N25 C155 C145 125.7(4) . .
C75 C155 C145 108.1(4) . .
C16 O16 Co2 123.8(3) . .
C16 O26 Co3 106.3(3) . .
C16 O26 Co1 130.6(3) . .
Co3 O26 Co1 97.29(14) . .
C26 N16 Co3 109.7(3) . .
C26 N16 H16A 109.7 . .
Co3 N16 H16A 109.7 . .
C26 N16 H16B 109.7 . .
Co3 N16 H16B 109.7 . .
H16A N16 H16B 108.2 . .
O16 C16 C26 122.3(4) . .
O26 C16 C26 113.5(4) . .
N16 C26 C16 104.8(4) . .
N16 C26 C46 110.8(4) . .
C16 C26 C46 112.6(4) . .
N16 C26 C36 110.3(4) . .
C16 C26 C36 108.4(4) . .
C46 C26 C36 109.9(4) . .
C26 C36 H36A 109.5 . .
C26 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C26 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C26 C46 H46A 109.5 . .
C26 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C26 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C1M O1M Co1 114.6(2) . 2_666
C1M O1M Co2 115.7(2) . 2_666
Co1 O1M Co2 91.10(12) 2_666 2_666
C1M O1M Co1 119.2(2) . .
Co1 O1M Co1 99.38(12) 2_666 .
Co2 O1M Co1 112.13(13) 2_666 .
O1M C1M H1M1 109.5 . .
O1M C1M H1M2 109.5 . .
H1M1 C1M H1M2 109.5 . .
O1M C1M H1M3 109.5 . .
H1M1 C1M H1M3 109.5 . .
H1M2 C1M H1M3 109.5 . .
O1 Cl1 O4 115.3(6) . .
O1 Cl1 O3 103.5(5) . .
O4 Cl1 O3 110.4(9) . .
O1 Cl1 O2 107.7(5) . .
O4 Cl1 O2 109.7(9) . .
O3 Cl1 O2 110.0(5) . .
Cl1 O3 O3W 138.7(8) . .
O8 Cl2 O6 119.3(15) . .
O8 Cl2 O5 122.3(16) . .
O6 Cl2 O5 110.2(9) . .
O8 Cl2 O7 97.0(16) . .
O6 Cl2 O7 109.4(11) . .
O5 Cl2 O7 92.5(9) . .
C2M O2M H2M 109.5 . .
O2M C2M H2M1 109.5 . .
O2M C2M H2M2 109.5 . .
H2M1 C2M H2M2 109.5 . .
O2M C2M H2M3 109.5 . .
H2M1 C2M H2M3 109.5 . .
H2M2 C2M H2M3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O11 2.059(3) .
Co1 O1M 2.066(3) 2_666
Co1 O14 2.075(3) 2_666
Co1 O1M 2.096(3) .
Co1 O26 2.116(3) .
Co1 O12 2.158(3) .
Co1 Co2 2.9615(13) .
Co2 O13 1.991(3) 2_666
Co2 N14 2.054(4) .
Co2 O16 2.080(3) .
Co2 O1M 2.082(3) 2_666
Co2 O11 2.197(3) .
Co2 N24 2.330(4) .
Co3 O15 1.996(3) .
Co3 O26 2.084(3) .
Co3 N16 2.104(4) .
Co3 N22 2.115(5) .
Co3 O12 2.159(3) .
Co4 O12 2.087(3) .
Co4 N15 2.117(4) .
Co4 O14 2.117(3) 2_666
Co4 N23 2.173(4) .
Co4 N13 2.180(4) .
Co4 N25 2.204(4) .
N11 C141 1.269(5) .
N11 O11 1.409(4) .
N21 C151 1.326(5) .
N21 C11 1.400(6) .
N31 C71 1.311(6) .
N31 C61 1.384(6) .
O14 N14 1.291(5) .
O14 Co1 2.075(3) 2_666
O14 Co4 2.117(3) 2_666
O13 N13 1.327(4) .
O13 Co2 1.991(3) 2_666
C11 C21 1.386(6) .
C11 C61 1.415(6) .
C21 C31 1.386(6) .
C21 H21 0.9500 .
C31 C41 1.401(6) .
C31 H31 0.9500 .
C41 C51 1.350(7) .
C41 H41 0.9500 .
C51 C61 1.415(7) .
C51 H51 0.9500 .
C71 C151 1.418(6) .
C71 C81 1.468(7) .
C81 C91 1.383(6) .
C81 C131 1.400(6) .
C91 C101 1.394(6) .
C91 H91 0.9500 .
C101 C111 1.390(6) .
C101 H101 0.9500 .
C111 C121 1.386(6) .
C111 H111 0.9500 .
C121 C131 1.381(6) .
C121 H121 0.9500 .
C131 C141 1.470(6) .
C141 C151 1.483(6) .
O12 N12 1.377(5) .
N12 C142 1.318(6) .
N22 C152 1.301(7) .
N22 C12 1.354(7) .
N32 C72 1.349(8) .
N32 C62 1.360(9) .
C12 C22 1.390(8) .
C12 C62 1.429(9) .
C22 C32 1.352(8) .
C22 H22 0.9500 .
C32 C42 1.459(11) .
C32 H32 0.9500 .
C42 C52 1.324(11) .
C42 H42 0.9500 .
C52 C62 1.418(10) .
C52 H52 0.9500 .
C72 C82 1.433(9) .
C72 C152 1.462(8) .
C82 C92 1.368(9) .
C82 C132 1.428(9) .
C92 C102 1.333(11) .
C92 H92 0.9500 .
C102 C112 1.407(10) .
C102 H102 0.9500 .
C112 C122 1.374(9) .
C112 H112 0.9500 .
C122 C132 1.359(8) .
C122 H122 0.9500 .
C132 C142 1.445(8) .
C142 C152 1.457(8) .
N13 C143 1.302(5) .
N23 C153 1.315(5) .
N23 C13 1.389(5) .
N33 C73 1.326(6) .
N33 C63 1.399(6) .
C13 C63 1.396(7) .
C13 C23 1.408(6) .
C23 C33 1.363(6) .
C23 H23 0.9500 .
C33 C43 1.358(7) .
C33 H33 0.9500 .
C43 C53 1.380(7) .
C43 H43 0.9500 .
C53 C63 1.416(6) .
C53 H53 0.9500 .
C73 C153 1.411(6) .
C73 C83 1.479(6) .
C83 C93 1.383(6) .
C83 C133 1.406(6) .
C93 C103 1.383(7) .
C93 H93 0.9500 .
C103 C113 1.376(7) .
C103 H103 0.9500 .
C113 C123 1.371(6) .
C113 H113 0.9500 .
C123 C133 1.386(6) .
C123 H123 0.9500 .
C133 C143 1.481(6) .
C143 C153 1.455(6) .
N14 C144 1.374(6) .
N24 C154 1.273(6) .
N24 C14 1.380(6) .
N34 C74 1.295(6) .
N34 C64 1.402(6) .
C14 C24 1.405(6) .
C14 C64 1.440(7) .
C24 C34 1.350(7) .
C24 H24 0.9500 .
C34 C44 1.407(7) .
C34 H34 0.9500 .
C44 C54 1.372(7) .
C44 H44 0.9500 .
C54 C64 1.387(7) .
C54 H54 0.9500 .
C74 C84 1.455(7) .
C74 C154 1.456(7) .
C84 C94 1.376(7) .
C84 C134 1.419(7) .
C94 C104 1.385(7) .
C94 H94 0.9500 .
C104 C114 1.405(7) .
C104 H104 0.9500 .
C114 C124 1.388(7) .
C114 H114 0.9500 .
C124 C134 1.366(7) .
C124 H124 0.9500 .
C134 C144 1.434(7) .
C144 C154 1.459(7) .
O15 N15 1.316(4) .
N15 C145 1.317(5) .
N25 C155 1.320(5) .
N25 C15 1.386(5) .
N35 C75 1.307(5) .
N35 C65 1.391(5) .
C15 C25 1.401(6) .
C15 C65 1.417(6) .
C25 C35 1.377(6) .
C25 H25 0.9500 .
C35 C45 1.382(6) .
C35 H35 0.9500 .
C45 C55 1.370(6) .
C45 H45 0.9500 .
C55 C65 1.406(6) .
C55 H55 0.9500 .
C75 C155 1.423(6) .
C75 C85 1.467(6) .
C85 C95 1.372(6) .
C85 C135 1.404(6) .
C95 C105 1.383(6) .
C95 H95 0.9500 .
C105 C115 1.392(6) .
C105 H105 0.9500 .
C115 C125 1.380(6) .
C115 H115 0.9500 .
C125 C135 1.390(6) .
C125 H125 0.9500 .
C135 C145 1.457(6) .
C145 C155 1.447(6) .
O16 C16 1.248(5) .
O26 C16 1.296(5) .
N16 C26 1.493(6) .
N16 H16A 0.9200 .
N16 H16B 0.9200 .
C16 C26 1.516(6) .
C26 C46 1.524(6) .
C26 C36 1.537(6) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
O1M C1M 1.444(5) .
O1M Co1 2.066(3) 2_666
O1M Co2 2.082(3) 2_666
C1M H1M1 0.9800 .
C1M H1M2 0.9800 .
C1M H1M3 0.9800 .
Cl1 O1 1.286(6) .
Cl1 O4 1.365(12) .
Cl1 O3 1.444(10) .
Cl1 O2 1.738(11) .
O3 O3W 1.750(16) .
Cl2 O8 1.17(2) .
Cl2 O6 1.274(14) .
Cl2 O5 1.447(16) .
Cl2 O7 1.77(2) .
O2M C2M 1.266(12) .
O2M H2M 0.8400 .
C2M H2M1 0.9800 .
C2M H2M2 0.9800 .
C2M H2M3 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N16 H16A O5 0.92 2.24 3.156(15) 174.3 .
N16 H16A O8 0.92 2.33 3.21(2) 158.3 2_565
N16 H16B N21 0.92 2.20 2.994(6) 144.8 .
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_4
O11 Co1 Co2 O13 -179.18(16) . 2_666
O1M Co1 Co2 O13 21.09(16) 2_666 2_666
O14 Co1 Co2 O13 -18.4(2) 2_666 2_666
O1M Co1 Co2 O13 88.19(15) . 2_666
O26 Co1 Co2 O13 -84.54(15) . 2_666
O12 Co1 Co2 O13 -152.72(16) . 2_666
O11 Co1 Co2 N14 77.07(18) . .
O1M Co1 Co2 N14 -82.66(18) 2_666 .
O14 Co1 Co2 N14 -122.14(17) 2_666 .
O1M Co1 Co2 N14 -15.56(16) . .
O26 Co1 Co2 N14 171.71(16) . .
O12 Co1 Co2 N14 103.53(18) . .
O11 Co1 Co2 O16 -97.16(14) . .
O1M Co1 Co2 O16 103.12(14) 2_666 .
O14 Co1 Co2 O16 63.63(17) 2_666 .
O1M Co1 Co2 O16 170.21(11) . .
O26 Co1 Co2 O16 -2.52(12) . .
O12 Co1 Co2 O16 -70.70(15) . .
O11 Co1 Co2 O1M 159.73(15) . 2_666
O14 Co1 Co2 O1M -39.48(18) 2_666 2_666
O1M Co1 Co2 O1M 67.10(16) . 2_666
O26 Co1 Co2 O1M -105.63(14) . 2_666
O12 Co1 Co2 O1M -173.82(16) . 2_666
O1M Co1 Co2 O11 -159.73(15) 2_666 .
O14 Co1 Co2 O11 160.79(19) 2_666 .
O1M Co1 Co2 O11 -92.63(14) . .
O26 Co1 Co2 O11 94.64(14) . .
O12 Co1 Co2 O11 26.46(16) . .
O11 Co1 Co2 N24 -3.71(17) . .
O1M Co1 Co2 N24 -163.43(17) 2_666 .
O14 Co1 Co2 N24 157.1(2) 2_666 .
O1M Co1 Co2 N24 -96.34(16) . .
O26 Co1 Co2 N24 90.93(17) . .
O12 Co1 Co2 N24 22.75(18) . .
C141 N11 O11 Co1 156.5(3) . .
C141 N11 O11 Co2 -106.4(4) . .
O1M Co1 O11 N11 127.9(2) 2_666 .
O14 Co1 O11 N11 -19.3(6) 2_666 .
O1M Co1 O11 N11 -151.5(2) . .
O26 Co1 O11 N11 36.8(2) . .
O12 Co1 O11 N11 -46.3(3) . .
Co2 Co1 O11 N11 113.8(3) . .
O1M Co1 O11 Co2 14.10(10) 2_666 .
O14 Co1 O11 Co2 -133.0(4) 2_666 .
O1M Co1 O11 Co2 94.73(11) . .
O26 Co1 O11 Co2 -76.97(11) . .
O12 Co1 O11 Co2 -160.02(12) . .
N14 Co2 O11 N11 144.3(3) . .
O16 Co2 O11 N11 -31.5(2) . .
O1M Co2 O11 N11 -126.0(2) 2_666 .
N24 Co2 O11 N11 65.1(3) . .
Co1 Co2 O11 N11 -112.0(3) . .
N14 Co2 O11 Co1 -103.67(16) . .
O16 Co2 O11 Co1 80.53(12) . .
O1M Co2 O11 Co1 -14.01(10) 2_666 .
N24 Co2 O11 Co1 177.05(13) . .
C151 N21 C11 C21 178.9(4) . .
C151 N21 C11 C61 2.2(6) . .
N21 C11 C21 C31 -175.4(4) . .
C61 C11 C21 C31 1.2(7) . .
C11 C21 C31 C41 -2.7(8) . .
C21 C31 C41 C51 3.1(8) . .
C31 C41 C51 C61 -2.1(8) . .
C71 N31 C61 C11 2.2(7) . .
C71 N31 C61 C51 -178.2(5) . .
C21 C11 C61 N31 179.3(5) . .
N21 C11 C61 N31 -4.2(7) . .
C21 C11 C61 C51 -0.3(7) . .
N21 C11 C61 C51 176.2(5) . .
C41 C51 C61 N31 -178.9(5) . .
C41 C51 C61 C11 0.7(8) . .
C61 N31 C71 C151 1.3(7) . .
C61 N31 C71 C81 177.7(5) . .
N31 C71 C81 C91 10.5(9) . .
C151 C71 C81 C91 -172.7(5) . .
N31 C71 C81 C131 -172.3(5) . .
C151 C71 C81 C131 4.5(5) . .
C131 C81 C91 C101 -3.2(7) . .
C71 C81 C91 C101 173.7(5) . .
C81 C91 C101 C111 0.8(8) . .
C91 C101 C111 C121 1.7(8) . .
C101 C111 C121 C131 -1.7(7) . .
C111 C121 C131 C81 -0.8(7) . .
C111 C121 C131 C141 -174.3(5) . .
C91 C81 C131 C121 3.3(7) . .
C71 C81 C131 C121 -174.2(4) . .
C91 C81 C131 C141 178.0(4) . .
C71 C81 C131 C141 0.5(5) . .
O11 N11 C141 C131 -7.9(7) . .
O11 N11 C141 C151 158.1(4) . .
C121 C131 C141 N11 -23.3(9) . .
C81 C131 C141 N11 162.6(5) . .
C121 C131 C141 C151 169.0(5) . .
C81 C131 C141 C151 -5.0(5) . .
C11 N21 C151 C71 1.2(7) . .
C11 N21 C151 C141 -170.0(4) . .
N31 C71 C151 N21 -3.2(8) . .
C81 C71 C151 N21 179.7(4) . .
N31 C71 C151 C141 169.3(5) . .
C81 C71 C151 C141 -7.7(5) . .
N11 C141 C151 N21 10.6(7) . .
C131 C141 C151 N21 -179.8(4) . .
N11 C141 C151 C71 -161.8(4) . .
C131 C141 C151 C71 7.8(5) . .
N15 Co4 O12 N12 148.0(3) . .
O14 Co4 O12 N12 -127.0(3) 2_666 .
N23 Co4 O12 N12 50.7(3) . .
N25 Co4 O12 N12 167.2(5) . .
N15 Co4 O12 Co1 -99.26(15) . .
N23 Co4 O12 Co1 163.40(14) . .
N13 Co4 O12 Co1 82.81(16) . .
N25 Co4 O12 Co1 -80.1(5) . .
N15 Co4 O12 Co3 -1.90(16) . .
O14 Co4 O12 Co3 83.09(16) 2_666 .
N23 Co4 O12 Co3 -99.25(17) . .
N13 Co4 O12 Co3 -179.84(16) . .
N25 Co4 O12 Co3 17.3(6) . .
O11 Co1 O12 N12 -55.4(3) . .
O14 Co1 O12 N12 132.0(3) 2_666 .
O1M Co1 O12 N12 41.5(3) . .
O26 Co1 O12 N12 -140.3(3) . .
Co2 Co1 O12 N12 -74.8(3) . .
O11 Co1 O12 Co4 -172.79(13) . .
O14 Co1 O12 Co4 14.58(13) 2_666 .
O1M Co1 O12 Co4 -75.93(14) . .
O26 Co1 O12 Co4 102.27(14) . .
Co2 Co1 O12 Co4 167.86(5) . .
O11 Co1 O12 Co3 72.54(12) . .
O14 Co1 O12 Co3 -100.09(14) 2_666 .
O1M Co1 O12 Co3 169.40(11) . .
O26 Co1 O12 Co3 -12.40(11) . .
Co2 Co1 O12 Co3 53.18(15) . .
O15 Co3 O12 N12 -140.9(3) . .
O26 Co3 O12 N12 127.0(3) . .
N16 Co3 O12 N12 114.3(5) . .
N22 Co3 O12 N12 -42.4(3) . .
O15 Co3 O12 Co4 5.25(16) . .
O26 Co3 O12 Co4 -86.88(16) . .
N16 Co3 O12 Co4 -99.6(5) . .
N22 Co3 O12 Co4 103.73(18) . .
O15 Co3 O12 Co1 104.71(13) . .
O26 Co3 O12 Co1 12.58(11) . .
N16 Co3 O12 Co1 -0.1(5) . .
N22 Co3 O12 Co1 -156.81(15) . .
Co4 O12 N12 C142 -114.7(4) . .
Co1 O12 N12 C142 139.2(4) . .
Co3 O12 N12 C142 31.6(5) . .
O15 Co3 N22 C152 120.9(4) . .
O26 Co3 N22 C152 -18.1(8) . .
N16 Co3 N22 C152 -145.2(4) . .
O12 Co3 N22 C152 28.1(4) . .
O15 Co3 N22 C12 -61.0(4) . .
O26 Co3 N22 C12 160.0(5) . .
N16 Co3 N22 C12 32.9(4) . .
O12 Co3 N22 C12 -153.9(4) . .
C152 N22 C12 C22 -173.1(5) . .
Co3 N22 C12 C22 8.9(7) . .
C152 N22 C12 C62 4.0(7) . .
Co3 N22 C12 C62 -174.0(4) . .
N22 C12 C22 C32 176.8(5) . .
C62 C12 C22 C32 -0.4(9) . .
C12 C22 C32 C42 1.8(10) . .
C22 C32 C42 C52 -0.8(12) . .
C32 C42 C52 C62 -1.5(13) . .
C72 N32 C62 C52 176.4(5) . .
C72 N32 C62 C12 -3.9(9) . .
C42 C52 C62 N32 -177.4(8) . .
C42 C52 C62 C12 3.0(11) . .
N22 C12 C62 N32 1.1(9) . .
C22 C12 C62 N32 178.4(6) . .
N22 C12 C62 C52 -179.2(5) . .
C22 C12 C62 C52 -2.0(8) . .
C62 N32 C72 C82 -176.8(6) . .
C62 N32 C72 C152 1.8(8) . .
N32 C72 C82 C92 -0.8(11) . .
C152 C72 C82 C92 -179.5(6) . .
N32 C72 C82 C132 178.1(5) . .
C152 C72 C82 C132 -0.7(7) . .
C132 C82 C92 C102 0.9(11) . .
C72 C82 C92 C102 179.7(8) . .
C82 C92 C102 C112 0.5(13) . .
C92 C102 C112 C122 -0.5(13) . .
C102 C112 C122 C132 -1.1(11) . .
C112 C122 C132 C82 2.5(9) . .
C112 C122 C132 C142 -176.0(6) . .
C92 C82 C132 C122 -2.5(9) . .
C72 C82 C132 C122 178.5(5) . .
C92 C82 C132 C142 176.3(5) . .
C72 C82 C132 C142 -2.7(6) . .
O12 N12 C142 C132 170.3(4) . .
O12 N12 C142 C152 3.3(8) . .
C122 C132 C142 N12 14.4(10) . .
C82 C132 C142 N12 -164.2(5) . .
C122 C132 C142 C152 -176.3(6) . .
C82 C132 C142 C152 5.1(6) . .
C12 N22 C152 C142 172.0(5) . .
Co3 N22 C152 C142 -9.8(8) . .
C12 N22 C152 C72 -6.2(7) . .
Co3 N22 C152 C72 172.0(4) . .
N12 C142 C152 N22 -15.9(9) . .
C132 C142 C152 N22 176.2(5) . .
N12 C142 C152 C72 162.5(5) . .
C132 C142 C152 C72 -5.4(6) . .
N32 C72 C152 N22 3.4(8) . .
C82 C72 C152 N22 -177.8(5) . .
N32 C72 C152 C142 -175.2(5) . .
C82 C72 C152 C142 3.7(6) . .
Co2 O13 N13 C143 -154.8(3) 2_666 .
O12 Co4 N13 C143 76.3(3) . .
O14 Co4 N13 C143 157.6(3) 2_666 .
N23 Co4 N13 C143 -10.9(3) . .
N25 Co4 N13 C143 -107.7(3) . .
O12 Co4 N13 O13 -97.2(3) . .
O14 Co4 N13 O13 -15.9(4) 2_666 .
N23 Co4 N13 O13 175.6(4) . .
N25 Co4 N13 O13 78.8(4) . .
O12 Co4 N23 C153 -86.5(3) . .
N15 Co4 N23 C153 -172.6(3) . .
O14 Co4 N23 C153 -74.8(8) 2_666 .
N13 Co4 N23 C153 9.9(3) . .
N25 Co4 N23 C153 105.8(3) . .
O12 Co4 N23 C13 80.9(4) . .
N15 Co4 N23 C13 -5.1(4) . .
O14 Co4 N23 C13 92.6(8) 2_666 .
N13 Co4 N23 C13 177.3(4) . .
N25 Co4 N23 C13 -86.8(4) . .
C153 N23 C13 C63 -0.3(6) . .
Co4 N23 C13 C63 -166.9(3) . .
C153 N23 C13 C23 -179.0(4) . .
Co4 N23 C13 C23 14.3(7) . .
N23 C13 C23 C33 178.9(4) . .
C63 C13 C23 C33 0.1(7) . .
C13 C23 C33 C43 -0.4(7) . .
C23 C33 C43 C53 0.6(8) . .
C33 C43 C53 C63 -0.4(7) . .
N23 C13 C63 N33 1.6(7) . .
C23 C13 C63 N33 -179.7(4) . .
N23 C13 C63 C53 -178.8(4) . .
C23 C13 C63 C53 0.0(7) . .
C73 N33 C63 C13 -1.0(6) . .
C73 N33 C63 C53 179.4(4) . .
C43 C53 C63 C13 0.2(7) . .
C43 C53 C63 N33 179.9(4) . .
C63 N33 C73 C153 -0.7(6) . .
C63 N33 C73 C83 178.6(4) . .
N33 C73 C83 C93 -3.9(8) . .
C153 C73 C83 C93 175.5(5) . .
N33 C73 C83 C133 179.9(4) . .
C153 C73 C83 C133 -0.7(5) . .
C133 C83 C93 C103 0.1(7) . .
C73 C83 C93 C103 -175.8(4) . .
C83 C93 C103 C113 0.4(7) . .
C93 C103 C113 C123 -0.5(8) . .
C103 C113 C123 C133 0.0(7) . .
C113 C123 C133 C83 0.5(7) . .
C113 C123 C133 C143 175.7(5) . .
C93 C83 C133 C123 -0.6(7) . .
C73 C83 C133 C123 176.1(4) . .
C93 C83 C133 C143 -176.8(4) . .
C73 C83 C133 C143 -0.1(5) . .
O13 N13 C143 C153 -175.5(3) . .
Co4 N13 C143 C153 9.7(5) . .
O13 N13 C143 C133 7.4(7) . .
Co4 N13 C143 C133 -167.3(4) . .
C123 C133 C143 N13 2.5(9) . .
C83 C133 C143 N13 178.2(5) . .
C123 C133 C143 C153 -174.8(4) . .
C83 C133 C143 C153 0.9(5) . .
C13 N23 C153 C73 -1.5(6) . .
Co4 N23 C153 C73 169.6(4) . .
C13 N23 C153 C143 -179.9(4) . .
Co4 N23 C153 C143 -8.7(5) . .
N33 C73 C153 N23 2.1(7) . .
C83 C73 C153 N23 -177.3(4) . .
N33 C73 C153 C143 -179.3(4) . .
C83 C73 C153 C143 1.3(5) . .
N13 C143 C153 N23 -0.6(7) . .
C133 C143 C153 N23 177.3(4) . .
N13 C143 C153 C73 -179.2(4) . .
C133 C143 C153 C73 -1.3(5) . .
Co1 O14 N14 C144 151.5(3) 2_666 .
Co4 O14 N14 C144 -102.1(4) 2_666 .
Co4 O14 N14 Co2 80.1(3) 2_666 .
O13 Co2 N14 O14 -74.7(4) 2_666 .
O1M Co2 N14 O14 17.9(4) 2_666 .
O11 Co2 N14 O14 104.4(4) . .
N24 Co2 N14 O14 -171.1(4) . .
Co1 Co2 N14 O14 61.6(4) . .
O13 Co2 N14 C144 107.4(3) 2_666 .
O1M Co2 N14 C144 -160.0(3) 2_666 .
O11 Co2 N14 C144 -73.5(3) . .
N24 Co2 N14 C144 11.0(3) . .
Co1 Co2 N14 C144 -116.3(3) . .
O13 Co2 N24 C154 -101.2(3) 2_666 .
N14 Co2 N24 C154 -7.3(3) . .
O16 Co2 N24 C154 169.2(3) . .
O1M Co2 N24 C154 30.6(7) 2_666 .
O11 Co2 N24 C154 79.4(3) . .
Co1 Co2 N24 C154 82.0(3) . .
O13 Co2 N24 C14 81.5(5) 2_666 .
N14 Co2 N24 C14 175.4(5) . .
O16 Co2 N24 C14 -8.2(5) . .
O1M Co2 N24 C14 -146.8(5) 2_666 .
O11 Co2 N24 C14 -97.9(5) . .
Co1 Co2 N24 C14 -95.3(5) . .
C154 N24 C14 C24 -174.9(4) . .
Co2 N24 C14 C24 2.3(8) . .
C154 N24 C14 C64 4.1(6) . .
Co2 N24 C14 C64 -178.7(4) . .
N24 C14 C24 C34 179.4(5) . .
C64 C14 C24 C34 0.4(7) . .
C14 C24 C34 C44 -0.1(8) . .
C24 C34 C44 C54 0.5(8) . .
C34 C44 C54 C64 -1.2(9) . .
C44 C54 C64 N34 -176.6(5) . .
C44 C54 C64 C14 1.5(8) . .
C74 N34 C64 C54 176.4(5) . .
C74 N34 C64 C14 -1.6(7) . .
N24 C14 C64 C54 179.9(5) . .
C24 C14 C64 C54 -1.1(7) . .
N24 C14 C64 N34 -2.0(7) . .
C24 C14 C64 N34 176.9(4) . .
C64 N34 C74 C84 -177.5(5) . .
C64 N34 C74 C154 2.8(7) . .
N34 C74 C84 C94 7.1(9) . .
C154 C74 C84 C94 -173.2(5) . .
N34 C74 C84 C134 -178.8(5) . .
C154 C74 C84 C134 0.9(6) . .
C134 C84 C94 C104 -1.5(7) . .
C74 C84 C94 C104 172.0(5) . .
C84 C94 C104 C114 0.5(8) . .
C94 C104 C114 C124 1.4(8) . .
C104 C114 C124 C134 -2.5(8) . .
C114 C124 C134 C84 1.5(8) . .
C114 C124 C134 C144 -174.5(5) . .
C94 C84 C134 C124 0.5(7) . .
C74 C84 C134 C124 -174.3(4) . .
C94 C84 C134 C144 177.4(4) . .
C74 C84 C134 C144 2.6(5) . .
O14 N14 C144 C134 -5.9(8) . .
Co2 N14 C144 C134 172.2(5) . .
O14 N14 C144 C154 169.3(4) . .
Co2 N14 C144 C154 -12.6(5) . .
C124 C134 C144 N14 -13.6(10) . .
C84 C134 C144 N14 170.0(5) . .
C124 C134 C144 C154 171.1(5) . .
C84 C134 C144 C154 -5.3(5) . .
C14 N24 C154 C74 -3.1(7) . .
Co2 N24 C154 C74 178.6(4) . .
C14 N24 C154 C144 -178.5(5) . .
Co2 N24 C154 C144 3.2(6) . .
N34 C74 C154 N24 -0.5(8) . .
C84 C74 C154 N24 179.8(5) . .
N34 C74 C154 C144 175.8(4) . .
C84 C74 C154 C144 -4.0(5) . .
N14 C144 C154 N24 5.6(7) . .
C134 C144 C154 N24 -178.0(5) . .
N14 C144 C154 C74 -170.7(4) . .
C134 C144 C154 C74 5.7(5) . .
O26 Co3 O15 N15 75.2(3) . .
N16 Co3 O15 N15 155.8(3) . .
N22 Co3 O15 N15 -95.2(3) . .
O12 Co3 O15 N15 -8.3(3) . .
Co3 O15 N15 C145 -165.6(3) . .
Co3 O15 N15 Co4 9.9(5) . .
O12 Co4 N15 O15 -4.9(4) . .
O14 Co4 N15 O15 -85.8(4) 2_666 .
N23 Co4 N15 O15 82.8(4) . .
N25 Co4 N15 O15 179.6(4) . .
O12 Co4 N15 C145 170.8(3) . .
O14 Co4 N15 C145 89.9(3) 2_666 .
N23 Co4 N15 C145 -101.5(3) . .
N25 Co4 N15 C145 -4.7(3) . .
O12 Co4 N25 C155 -15.6(7) . .
N15 Co4 N25 C155 3.8(3) . .
N23 Co4 N25 C155 99.8(3) . .
N13 Co4 N25 C155 -178.5(3) . .
O12 Co4 N25 C15 155.3(5) . .
N15 Co4 N25 C15 174.7(5) . .
O14 Co4 N25 C15 90.9(5) 2_666 .
N23 Co4 N25 C15 -89.2(5) . .
N13 Co4 N25 C15 -7.5(5) . .
C155 N25 C15 C25 174.7(4) . .
Co4 N25 C15 C25 4.2(7) . .
C155 N25 C15 C65 -3.9(6) . .
Co4 N25 C15 C65 -174.4(3) . .
N25 C15 C25 C35 -178.7(4) . .
C65 C15 C25 C35 -0.1(6) . .
C15 C25 C35 C45 -3.9(7) . .
C25 C35 C45 C55 4.7(7) . .
C35 C45 C55 C65 -1.6(7) . .
C75 N35 C65 C55 -178.2(4) . .
C75 N35 C65 C15 -1.0(6) . .
C45 C55 C65 N35 175.1(4) . .
C45 C55 C65 C15 -2.3(7) . .
N25 C15 C65 N35 4.5(7) . .
C25 C15 C65 N35 -174.2(4) . .
N25 C15 C65 C55 -178.3(4) . .
C25 C15 C65 C55 3.0(6) . .
C65 N35 C75 C155 -2.5(6) . .
C65 N35 C75 C85 175.2(4) . .
N35 C75 C85 C95 -5.4(8) . .
C155 C75 C85 C95 172.6(5) . .
N35 C75 C85 C135 -179.2(4) . .
C155 C75 C85 C135 -1.2(5) . .
C135 C85 C95 C105 0.1(7) . .
C75 C85 C95 C105 -173.1(5) . .
C85 C95 C105 C115 -0.8(7) . .
C95 C105 C115 C125 -0.2(8) . .
C105 C115 C125 C135 1.8(7) . .
C115 C125 C135 C85 -2.6(7) . .
C115 C125 C135 C145 173.3(5) . .
C95 C85 C135 C125 1.6(7) . .
C75 C85 C135 C125 176.2(4) . .
C95 C85 C135 C145 -175.1(4) . .
C75 C85 C135 C145 -0.5(5) . .
O15 N15 C145 C155 -179.1(4) . .
Co4 N15 C145 C155 4.7(5) . .
O15 N15 C145 C135 6.4(7) . .
Co4 N15 C145 C135 -169.9(4) . .
C125 C135 C145 N15 0.6(9) . .
C85 C135 C145 N15 176.9(5) . .
C125 C135 C145 C155 -174.3(5) . .
C85 C135 C145 C155 2.1(5) . .
C15 N25 C155 C75 0.5(6) . .
Co4 N25 C155 C75 174.5(4) . .
C15 N25 C155 C145 -176.7(4) . .
Co4 N25 C155 C145 -2.8(5) . .
N35 C75 C155 N25 3.0(7) . .
C85 C75 C155 N25 -175.2(4) . .
N35 C75 C155 C145 -179.4(4) . .
C85 C75 C155 C145 2.4(5) . .
N15 C145 C155 N25 -1.2(7) . .
C135 C145 C155 N25 174.9(4) . .
N15 C145 C155 C75 -178.8(4) . .
C135 C145 C155 C75 -2.8(5) . .
O13 Co2 O16 C16 144.4(4) 2_666 .
O1M Co2 O16 C16 51.8(4) 2_666 .
O11 Co2 O16 C16 -34.7(4) . .
N24 Co2 O16 C16 -118.4(4) . .
Co1 Co2 O16 C16 8.9(3) . .
O15 Co3 O26 C16 117.9(3) . .
N16 Co3 O26 C16 27.4(3) . .
N22 Co3 O26 C16 -102.6(6) . .
O12 Co3 O26 C16 -149.0(3) . .
O15 Co3 O26 Co1 -106.03(13) . .
N16 Co3 O26 Co1 163.47(14) . .
N22 Co3 O26 Co1 33.5(6) . .
O12 Co3 O26 Co1 -12.91(11) . .
O11 Co1 O26 C16 45.4(4) . .
O1M Co1 O26 C16 -45.2(4) 2_666 .
O14 Co1 O26 C16 -148.0(4) 2_666 .
O12 Co1 O26 C16 131.7(4) . .
Co2 Co1 O26 C16 -2.5(4) . .
O11 Co1 O26 Co3 -73.39(13) . .
O14 Co1 O26 Co3 93.21(13) 2_666 .
O12 Co1 O26 Co3 12.93(11) . .
Co2 Co1 O26 Co3 -121.35(11) . .
O15 Co3 N16 C26 -90.8(3) . .
O26 Co3 N16 C26 1.6(3) . .
N22 Co3 N16 C26 169.8(3) . .
O12 Co3 N16 C26 14.4(6) . .
Co2 O16 C16 O26 -13.8(7) . .
Co2 O16 C16 C26 164.7(3) . .
Co3 O26 C16 O16 125.6(4) . .
Co1 O26 C16 O16 10.5(7) . .
Co3 O26 C16 C26 -53.0(4) . .
Co1 O26 C16 C26 -168.2(3) . .
Co3 N16 C26 C16 -25.7(4) . .
Co3 N16 C26 C46 -147.3(3) . .
Co3 N16 C26 C36 90.8(4) . .
O26 C16 C26 N16 54.3(5) . .
O16 C16 C26 C46 -3.9(7) . .
O26 C16 C26 C46 174.8(4) . .
O26 C16 C26 C36 -63.4(5) . .
O11 Co1 O1M C1M 35.7(3) . .
O1M Co1 O1M C1M 125.1(3) 2_666 .
O14 Co1 O1M C1M -132.4(3) 2_666 .
O12 Co1 O1M C1M -52.0(3) . .
Co2 Co1 O1M C1M 84.1(3) . .
O11 Co1 O1M Co1 -89.41(13) . 2_666
O1M Co1 O1M Co1 0.0 2_666 2_666
O14 Co1 O1M Co1 102.52(13) 2_666 2_666
O12 Co1 O1M Co1 -177.06(11) . 2_666
Co2 Co1 O1M Co1 -41.03(10) . 2_666
O11 Co1 O1M Co2 175.53(13) . 2_666
O1M Co1 O1M Co2 -95.06(16) 2_666 2_666
O14 Co1 O1M Co2 7.46(15) 2_666 2_666
O12 Co1 O1M Co2 87.88(15) . 2_666
Co2 Co1 O1M Co2 -136.08(11) . 2_666
O1 Cl1 O3 O3W -11.9(13) . .
O4 Cl1 O3 O3W -135.8(12) . .
O2 Cl1 O3 O3W 102.9(11) . .
