#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:21:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179626 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/90/4509048.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509048
loop_
_publ_author_name
'Ma, Lu-Fang'
'Wang, Li-Ya'
'Lu, Dan-Hua'
'Batten, Stuart R.'
'Wang, Jian-Ge'
_publ_section_title
;
 Structural Variation from 1D to 3D: Effects of Temperature and pH Value
 on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1741
_journal_paper_doi               10.1021/cg800732e
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C49 H52 Co3 N2 O13'
_chemical_formula_weight         1053.72
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           2
_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                97.0440(10)
_cell_angle_beta                 100.5150(10)
_cell_angle_gamma                105.1320(10)
_cell_formula_units_Z            2
_cell_length_a                   10.8783(9)
_cell_length_b                   14.2090(12)
_cell_length_c                   17.9997(15)
_cell_measurement_reflns_used    8163
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.93
_cell_measurement_theta_min      2.34
_cell_volume                     2597.8(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19496
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  0.8677
_exptl_absorpt_correction_T_min  0.6627
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1090
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         9615
_refine_ls_number_restraints     340
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0307
_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)+(0.0359P)²+1.2425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0787
_reflns_number_gt                8083
_reflns_number_total             9615
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800732esup2.cif
_cod_data_source_block           2288
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509048
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
C10 C 0.5567(7) 0.6835(8) 0.0962(4) 0.0665(16) Uani 0.627(8) 1 d PDU A 1
H10A H 0.6132 0.6895 0.1453 0.100 Uiso 0.627(8) 1 calc PR A 1
H10B H 0.5014 0.6165 0.0800 0.100 Uiso 0.627(8) 1 calc PR A 1
H10C H 0.5037 0.7275 0.1003 0.100 Uiso 0.627(8) 1 calc PR A 1
C11 C 0.7350(6) 0.8098(4) 0.0632(5) 0.0819(15) Uani 0.627(8) 1 d PDU A 1
H11A H 0.7717 0.8309 0.0213 0.123 Uiso 0.627(8) 1 calc PR A 1
H11B H 0.8035 0.8069 0.1041 0.123 Uiso 0.627(8) 1 calc PR A 1
H11C H 0.6920 0.8560 0.0814 0.123 Uiso 0.627(8) 1 calc PR A 1
C12 C 0.5386(6) 0.7116(6) -0.0384(3) 0.0649(13) Uani 0.627(8) 1 d PDU A 1
H12A H 0.4907 0.7574 -0.0267 0.097 Uiso 0.627(8) 1 calc PR A 1
H12B H 0.4790 0.6464 -0.0568 0.097 Uiso 0.627(8) 1 calc PR A 1
H12C H 0.5848 0.7316 -0.0771 0.097 Uiso 0.627(8) 1 calc PR A 1
C10' C 0.5276(11) 0.6704(13) 0.0736(8) 0.0665(16) Uani 0.373(8) 1 d PDU A 2
H10D H 0.5592 0.6473 0.1192 0.100 Uiso 0.373(8) 1 calc PR A 2
H10E H 0.4633 0.6163 0.0382 0.100 Uiso 0.373(8) 1 calc PR A 2
H10F H 0.4888 0.7218 0.0867 0.100 Uiso 0.373(8) 1 calc PR A 2
C11' C 0.6021(13) 0.7636(9) -0.0271(5) 0.0819(15) Uani 0.373(8) 1 d PDU A 2
H11D H 0.5540 0.8071 -0.0108 0.123 Uiso 0.373(8) 1 calc PR A 2
H11E H 0.5487 0.7159 -0.0713 0.123 Uiso 0.373(8) 1 calc PR A 2
H11F H 0.6795 0.8016 -0.0402 0.123 Uiso 0.373(8) 1 calc PR A 2
C12' C 0.7504(8) 0.7909(7) 0.1009(6) 0.0649(13) Uani 0.373(8) 1 d PDU A 2
H12D H 0.8271 0.8127 0.0810 0.097 Uiso 0.373(8) 1 calc PR A 2
H12E H 0.7714 0.7619 0.1452 0.097 Uiso 0.373(8) 1 calc PR A 2
H12F H 0.7196 0.8465 0.1151 0.097 Uiso 0.373(8) 1 calc PR A 2
C34' C 1.1077(9) -0.0968(7) -0.0125(5) 0.068(3) Uani 0.430(6) 1 d PDU B 2
H34A H 1.1411 -0.0422 -0.0368 0.101 Uiso 0.430(6) 1 calc PR B 2
H34B H 1.0377 -0.0857 0.0097 0.101 Uiso 0.430(6) 1 calc PR B 2
H34C H 1.0758 -0.1569 -0.0499 0.101 Uiso 0.430(6) 1 calc PR B 2
C35' C 1.3234(7) -0.1283(7) 0.0158(6) 0.087(3) Uani 0.430(6) 1 d PDU B 2
H35A H 1.2862 -0.1862 -0.0235 0.130 Uiso 0.430(6) 1 calc PR B 2
H35B H 1.3887 -0.1400 0.0543 0.130 Uiso 0.430(6) 1 calc PR B 2
H35C H 1.3627 -0.0731 -0.0064 0.130 Uiso 0.430(6) 1 calc PR B 2
C36' C 1.1534(11) -0.1909(5) 0.0877(5) 0.084(3) Uani 0.430(6) 1 d PDU B 2
H36A H 1.1159 -0.2496 0.0491 0.126 Uiso 0.430(6) 1 calc PR B 2
H36B H 1.0858 -0.1745 0.1096 0.126 Uiso 0.430(6) 1 calc PR B 2
H36C H 1.2170 -0.2025 0.1273 0.126 Uiso 0.430(6) 1 calc PR B 2
C34 C 1.0744(5) -0.1511(6) 0.0287(5) 0.087(3) Uani 0.570(6) 1 d PDU B 1
H34D H 1.0542 -0.2092 -0.0099 0.131 Uiso 0.570(6) 1 calc PR B 1
H34E H 1.0342 -0.1042 0.0085 0.131 Uiso 0.570(6) 1 calc PR B 1
H34F H 1.0419 -0.1691 0.0727 0.131 Uiso 0.570(6) 1 calc PR B 1
C35 C 1.2736(8) -0.0863(5) -0.0196(3) 0.079(2) Uani 0.570(6) 1 d PDU B 1
H35D H 1.2527 -0.1475 -0.0549 0.118 Uiso 0.570(6) 1 calc PR B 1
H35E H 1.3667 -0.0582 -0.0045 0.118 Uiso 0.570(6) 1 calc PR B 1
H35F H 1.2355 -0.0409 -0.0439 0.118 Uiso 0.570(6) 1 calc PR B 1
C36 C 1.2782(8) -0.1825(4) 0.0862(4) 0.075(2) Uani 0.570(6) 1 d PDU B 1
H36D H 1.2529 -0.2427 0.0492 0.113 Uiso 0.570(6) 1 calc PR B 1
H36E H 1.2469 -0.1958 0.1315 0.113 Uiso 0.570(6) 1 calc PR B 1
H36F H 1.3717 -0.1567 0.0993 0.113 Uiso 0.570(6) 1 calc PR B 1
Co1 Co 0.78737(3) 0.36139(2) 0.246707(16) 0.02319(8) Uani 1 1 d . . .
Co2 Co 1.09489(3) 0.36224(2) 0.285914(16) 0.02181(8) Uani 1 1 d . . .
Co3 Co 0.85607(3) 0.14585(2) 0.244703(17) 0.02178(8) Uani 1 1 d . . .
O1 O 0.75705(18) 0.43374(14) 0.16341(10) 0.0413(4) Uani 1 1 d . . .
O2 O 0.85826(18) 0.35800(13) 0.08823(10) 0.0401(4) Uani 1 1 d . . .
O3 O 0.8848(2) 0.46284(13) -0.16370(11) 0.0470(5) Uani 1 1 d . . .
H3 H 0.9074 0.4653 -0.2046 0.070 Uiso 1 1 calc R . .
O4 O 0.84994(16) 0.60773(13) -0.18188(9) 0.0357(4) Uani 1 1 d . . .
O5 O 0.85060(15) 0.47010(11) 0.33910(9) 0.0316(4) Uani 1 1 d . . .
O6 O 1.02571(16) 0.49813(11) 0.28854(9) 0.0312(4) Uani 1 1 d . . .
O7 O 1.10972(18) 0.80404(13) 0.64211(9) 0.0435(5) Uani 1 1 d . . .
O8 O 0.95887(15) 0.65548(11) 0.61168(9) 0.0300(4) Uani 1 1 d . . .
O9 O 1.00463(15) 0.11232(11) 0.20701(10) 0.0328(4) Uani 1 1 d . . .
O10 O 1.16856(15) 0.24334(11) 0.27340(9) 0.0311(4) Uani 1 1 d . . .
O11 O 1.62135(15) 0.26762(12) 0.25127(10) 0.0346(4) Uani 1 1 d . . .
O12 O 1.66329(14) 0.12987(12) 0.20159(10) 0.0331(4) Uani 1 1 d . . .
O13 O 0.91027(14) 0.28746(11) 0.22255(8) 0.0229(3) Uani 1 1 d D . .
N1 N 0.79867(19) -0.00045(14) 0.26991(13) 0.0354(5) Uani 1 1 d U . .
N2 N 0.28253(18) -0.54518(14) 0.34688(12) 0.0309(4) Uani 1 1 d . . .
C1 C 0.7850(2) 0.49168(18) 0.04862(13) 0.0307(5) Uani 1 1 d . . .
C2 C 0.8257(2) 0.48220(17) -0.01975(13) 0.0302(5) Uani 1 1 d . . .
H2 H 0.8639 0.4328 -0.0324 0.036 Uiso 1 1 calc R . .
C3 C 0.8085(2) 0.54783(18) -0.06919(13) 0.0314(5) Uani 1 1 d . . .
C4 C 0.7501(2) 0.62159(19) -0.05057(14) 0.0358(6) Uani 1 1 d . . .
H4 H 0.7402 0.6653 -0.0841 0.043 Uiso 1 1 calc R . .
C5 C 0.7065(3) 0.63081(19) 0.01716(14) 0.0368(6) Uani 1 1 d . A .
C6 C 0.7260(3) 0.56471(19) 0.06621(14) 0.0364(6) Uani 1 1 d . . .
H6 H 0.6987 0.5697 0.1122 0.044 Uiso 1 1 calc R . .
C7 C 0.8023(2) 0.42114(18) 0.10320(13) 0.0308(5) Uani 1 1 d . . .
C8 C 0.8499(2) 0.54272(18) -0.14319(14) 0.0328(5) Uani 1 1 d . . .
C9 C 0.6398(3) 0.7107(2) 0.03694(17) 0.0516(7) Uani 1 1 d DU . .
C13 C 1.0211(2) 0.61992(16) 0.38999(12) 0.0241(5) Uani 1 1 d . . .
C14 C 0.9983(2) 0.62905(16) 0.46352(12) 0.0244(5) Uani 1 1 d . . .
H14 H 0.9419 0.5767 0.4780 0.029 Uiso 1 1 calc R . .
C15 C 1.0603(2) 0.71710(16) 0.51530(13) 0.0262(5) Uani 1 1 d . . .
C16 C 1.1415(2) 0.79558(17) 0.49222(13) 0.0320(5) Uani 1 1 d . . .
H16 H 1.1817 0.8544 0.5272 0.038 Uiso 1 1 calc R . .
C17 C 1.1647(2) 0.78898(17) 0.41815(14) 0.0324(5) Uani 1 1 d . . .
C18 C 1.1047(2) 0.69909(17) 0.36826(13) 0.0304(5) Uani 1 1 d . . .
H18 H 1.1206 0.6915 0.3192 0.037 Uiso 1 1 calc R . .
C19 C 0.9611(2) 0.52346(16) 0.33569(12) 0.0254(5) Uani 1 1 d . . .
C20 C 1.0410(2) 0.72625(16) 0.59635(12) 0.0261(5) Uani 1 1 d . . .
C21 C 1.2607(3) 0.8754(2) 0.39547(16) 0.0474(7) Uani 1 1 d U . .
C22 C 1.2492(4) 0.9752(2) 0.4304(2) 0.0770(11) Uani 1 1 d U . .
H22A H 1.3072 1.0274 0.4135 0.115 Uiso 1 1 calc R . .
H22B H 1.2723 0.9838 0.4854 0.115 Uiso 1 1 calc R . .
H22C H 1.1610 0.9773 0.4144 0.115 Uiso 1 1 calc R . .
C23 C 1.3984(3) 0.8703(3) 0.4270(3) 0.0934(13) Uani 1 1 d U . .
H23A H 1.4090 0.8099 0.4026 0.140 Uiso 1 1 calc R . .
H23B H 1.4117 0.8721 0.4814 0.140 Uiso 1 1 calc R . .
H23C H 1.4611 0.9259 0.4168 0.140 Uiso 1 1 calc R . .
C24 C 1.2377(5) 0.8697(3) 0.3092(2) 0.0981(15) Uani 1 1 d U . .
H24A H 1.2933 0.9282 0.2978 0.147 Uiso 1 1 calc R . .
H24B H 1.1480 0.8652 0.2888 0.147 Uiso 1 1 calc R . .
H24C H 1.2572 0.8123 0.2863 0.147 Uiso 1 1 calc R . .
C25 C 1.2210(2) 0.11825(16) 0.19714(13) 0.0261(5) Uani 1 1 d . . .
C26 C 1.3536(2) 0.16604(16) 0.22186(13) 0.0273(5) Uani 1 1 d . . .
H26 H 1.3828 0.2243 0.2580 0.033 Uiso 1 1 calc R . .
C27 C 1.4433(2) 0.12648(16) 0.19243(13) 0.0261(5) Uani 1 1 d . . .
C28 C 1.3978(2) 0.03878(17) 0.13840(14) 0.0299(5) Uani 1 1 d . . .
H28 H 1.4580 0.0123 0.1195 0.036 Uiso 1 1 calc R . .
C29 C 1.2650(2) -0.01027(17) 0.11192(14) 0.0303(5) Uani 1 1 d . B .
C30 C 1.1775(2) 0.03056(17) 0.14286(14) 0.0309(5) Uani 1 1 d . . .
H30 H 1.0884 -0.0013 0.1270 0.037 Uiso 1 1 calc R . .
C31 C 1.1241(2) 0.16175(16) 0.22823(13) 0.0254(5) Uani 1 1 d . . .
C32 C 1.5863(2) 0.17805(16) 0.21682(13) 0.0263(5) Uani 1 1 d . . .
C33 C 1.2187(2) -0.10583(19) 0.05175(15) 0.0411(6) Uani 1 1 d D . .
C37 C 0.6769(3) -0.0535(2) 0.26482(19) 0.0525(8) Uani 1 1 d U . .
H37 H 0.6097 -0.0294 0.2430 0.063 Uiso 1 1 calc R . .
C38 C 0.6442(3) -0.1427(2) 0.2901(2) 0.0615(9) Uani 1 1 d U . .
H38 H 0.5566 -0.1765 0.2850 0.074 Uiso 1 1 calc R . .
C39 C 0.7374(3) -0.1816(2) 0.3223(2) 0.0533(8) Uani 1 1 d U . .
C40 C 0.8621(3) -0.1289(3) 0.3253(3) 0.0946(13) Uani 1 1 d U . .
H40 H 0.9306 -0.1530 0.3452 0.114 Uiso 1 1 calc R . .
C41 C 0.8887(3) -0.0400(3) 0.2993(3) 0.0867(12) Uani 1 1 d U . .
H41 H 0.9756 -0.0060 0.3027 0.104 Uiso 1 1 calc R . .
C42 C 0.7053(3) -0.2779(2) 0.3517(2) 0.0664(10) Uani 1 1 d . . .
H42A H 0.7701 -0.3117 0.3443 0.080 Uiso 1 1 calc R . .
H42B H 0.6209 -0.3200 0.3222 0.080 Uiso 1 1 calc R . .
C43 C 0.7021(3) -0.2622(2) 0.4364(2) 0.0617(9) Uani 1 1 d . . .
H43A H 0.6389 -0.2268 0.4439 0.074 Uiso 1 1 calc R . .
H43B H 0.7872 -0.2212 0.4659 0.074 Uiso 1 1 calc R . .
C44 C 0.6665(3) -0.3596(2) 0.4674(2) 0.0673(10) Uani 1 1 d . . .
H44A H 0.7308 -0.3943 0.4614 0.081 Uiso 1 1 calc R . .
H44B H 0.6689 -0.3446 0.5218 0.081 Uiso 1 1 calc R . .
C45 C 0.5322(3) -0.4259(2) 0.42606(18) 0.0469(7) Uani 1 1 d . . .
C46 C 0.4209(3) -0.41393(19) 0.44740(16) 0.0431(7) Uani 1 1 d . . .
H46 H 0.4274 -0.3651 0.4886 0.052 Uiso 1 1 calc R . .
C47 C 0.2998(2) -0.47478(18) 0.40730(14) 0.0352(6) Uani 1 1 d . . .
H47 H 0.2262 -0.4662 0.4233 0.042 Uiso 1 1 calc R . .
C48 C 0.3906(2) -0.55684(19) 0.32586(17) 0.0427(7) Uani 1 1 d . . .
H48 H 0.3816 -0.6052 0.2838 0.051 Uiso 1 1 calc R . .
C49 C 0.5150(3) -0.4996(2) 0.3644(2) 0.0523(8) Uani 1 1 d . . .
H49 H 0.5874 -0.5109 0.3486 0.063 Uiso 1 1 calc R . .
H13D H 0.910(3) 0.295(2) 0.1763(8) 0.043(8) Uiso 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'
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
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
C9 C10' H10D 109.5 . .
C9 C10' H10E 109.5 . .
H10D C10' H10E 109.5 . .
C9 C10' H10F 109.5 . .
H10D C10' H10F 109.5 . .
H10E C10' H10F 109.5 . .
C9 C11' H11D 109.5 . .
C9 C11' H11E 109.5 . .
H11D C11' H11E 109.5 . .
C9 C11' H11F 109.5 . .
H11D C11' H11F 109.5 . .
H11E C11' H11F 109.5 . .
C9 C12' H12D 109.5 . .
C9 C12' H12E 109.5 . .
H12D C12' H12E 109.5 . .
C9 C12' H12F 109.5 . .
H12D C12' H12F 109.5 . .
H12E C12' H12F 109.5 . .
C33 C34' H34A 109.5 . .
C33 C34' H34B 109.5 . .
H34A C34' H34B 109.5 . .
C33 C34' H34C 109.5 . .
H34A C34' H34C 109.5 . .
H34B C34' H34C 109.5 . .
C33 C35' H35A 109.5 . .
C33 C35' H35B 109.5 . .
H35A C35' H35B 109.5 . .
C33 C35' H35C 109.5 . .
H35A C35' H35C 109.5 . .
H35B C35' H35C 109.5 . .
C33 C36' H36A 109.5 . .
C33 C36' H36B 109.5 . .
H36A C36' H36B 109.5 . .
C33 C36' H36C 109.5 . .
H36A C36' H36C 109.5 . .
H36B C36' H36C 109.5 . .
C33 C34 H34D 109.5 . .
C33 C34 H34E 109.5 . .
C33 C34 H34F 109.5 . .
C33 C35 H35D 109.5 . .
C33 C35 H35E 109.5 . .
C33 C35 H35F 109.5 . .
C33 C36 H36D 109.5 . .
C33 C36 H36E 109.5 . .
C33 C36 H36F 109.5 . .
O1 Co1 O11 109.40(8) . 1_455
O1 Co1 O13 106.86(7) . .
O11 Co1 O13 109.59(6) 1_455 .
O1 Co1 O5 102.15(7) . .
O11 Co1 O5 110.83(7) 1_455 .
O13 Co1 O5 117.49(6) . .
O13 Co2 O10 95.47(6) . .
O13 Co2 O8 92.65(6) . 2_766
O10 Co2 O8 97.91(7) . 2_766
O13 Co2 O4 88.40(6) . 2_765
O10 Co2 O4 86.33(6) . 2_765
O8 Co2 O4 175.50(6) 2_766 2_765
O13 Co2 N2 173.27(7) . 1_665
O10 Co2 N2 90.28(7) . 1_665
O8 Co2 N2 90.00(7) 2_766 1_665
O4 Co2 N2 88.48(7) 2_765 1_665
O13 Co2 O6 85.69(6) . .
O10 Co2 O6 173.27(6) . .
O8 Co2 O6 88.64(6) 2_766 .
O4 Co2 O6 87.08(6) 2_765 .
N2 Co2 O6 88.19(7) 1_665 .
O9 Co3 O7 115.79(8) . 2_766
O9 Co3 O12 137.43(7) . 1_455
O7 Co3 O12 106.38(7) 2_766 1_455
O9 Co3 O13 92.45(6) . .
O7 Co3 O13 91.75(7) 2_766 .
O12 Co3 O13 91.86(6) 1_455 .
O9 Co3 N1 88.46(7) . .
O7 Co3 N1 87.18(8) 2_766 .
O12 Co3 N1 87.97(7) 1_455 .
O13 Co3 N1 178.82(7) . .
C7 O1 Co1 121.52(15) . .
C8 O3 H3 109.5 . .
C8 O4 Co2 136.26(16) . 2_765
C19 O5 Co1 107.87(13) . .
C19 O6 Co2 124.25(14) . .
C20 O7 Co3 136.02(15) . 2_766
C20 O8 Co2 129.38(14) . 2_766
C31 O9 Co3 126.21(14) . .
C31 O10 Co2 130.74(14) . .
C32 O11 Co1 121.68(14) . 1_655
C32 O12 Co3 133.65(15) . 1_655
Co1 O13 Co2 109.23(7) . .
Co1 O13 Co3 111.56(7) . .
Co2 O13 Co3 110.00(7) . .
Co1 O13 H13D 100.3(18) . .
Co2 O13 H13D 106.6(18) . .
Co3 O13 H13D 118.6(18) . .
C41 N1 C37 115.1(2) . .
C41 N1 Co3 119.47(18) . .
C37 N1 Co3 125.17(18) . .
C47 N2 C48 116.8(2) . .
C47 N2 Co2 122.91(16) . 1_445
C48 N2 Co2 120.27(17) . 1_445
C2 C1 C6 120.1(2) . .
C2 C1 C7 119.9(2) . .
C6 C1 C7 120.1(2) . .
C1 C2 C3 118.8(2) . .
C1 C2 H2 120.6 . .
C3 C2 H2 120.6 . .
C2 C3 C4 120.6(2) . .
C2 C3 C8 122.0(2) . .
C4 C3 C8 117.4(2) . .
C5 C4 C3 121.2(2) . .
C5 C4 H4 119.4 . .
C3 C4 H4 119.4 . .
C4 C5 C6 117.1(2) . .
C4 C5 C9 121.2(2) . .
C6 C5 C9 121.6(2) . .
C1 C6 C5 122.1(2) . .
C1 C6 H6 118.9 . .
C5 C6 H6 118.9 . .
O2 C7 O1 125.2(2) . .
O2 C7 C1 119.8(2) . .
O1 C7 C1 115.0(2) . .
O4 C8 O3 123.4(2) . .
O4 C8 C3 121.8(2) . .
O3 C8 C3 114.8(2) . .
C11 C9 C11' 78.5(4) . .
C11 C9 C10' 124.4(8) . .
C11' C9 C10' 112.3(6) . .
C11 C9 C5 111.8(3) . .
C11' C9 C5 115.8(5) . .
C10' C9 C5 110.8(8) . .
C11 C9 C10 111.3(4) . .
C11' C9 C10 123.4(7) . .
C10' C9 C10 17.0(6) . .
C5 C9 C10 111.3(5) . .
C11 C9 C12 109.4(3) . .
C11' C9 C12 31.5(4) . .
C10' C9 C12 89.6(6) . .
C5 C9 C12 107.6(3) . .
C10 C9 C12 105.2(4) . .
C11 C9 C12' 28.6(4) . .
C11' C9 C12' 106.6(5) . .
C10' C9 C12' 107.4(6) . .
C5 C9 C12' 103.0(4) . .
C10 C9 C12' 91.1(5) . .
C12 C9 C12' 136.5(4) . .
C14 C13 C18 120.0(2) . .
C14 C13 C19 119.63(19) . .
C18 C13 C19 120.28(19) . .
C13 C14 C15 119.4(2) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
C16 C15 C14 119.7(2) . .
C16 C15 C20 120.4(2) . .
C14 C15 C20 119.88(19) . .
C15 C16 C17 122.1(2) . .
C15 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C18 C17 C16 117.0(2) . .
C18 C17 C21 121.9(2) . .
C16 C17 C21 120.9(2) . .
C17 C18 C13 121.7(2) . .
C17 C18 H18 119.2 . .
C13 C18 H18 119.2 . .
O5 C19 O6 122.8(2) . .
O5 C19 C13 119.17(19) . .
O6 C19 C13 118.01(19) . .
O8 C20 O7 126.5(2) . .
O8 C20 C15 117.03(19) . .
O7 C20 C15 116.5(2) . .
C24 C21 C22 107.6(3) . .
C24 C21 C23 109.8(3) . .
C22 C21 C23 108.6(3) . .
C24 C21 C17 112.2(2) . .
C22 C21 C17 111.4(2) . .
C23 C21 C17 107.3(2) . .
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 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C30 119.9(2) . .
C26 C25 C31 119.81(19) . .
C30 C25 C31 120.28(19) . .
C25 C26 C27 119.8(2) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C28 C27 C26 119.4(2) . .
C28 C27 C32 119.87(19) . .
C26 C27 C32 120.7(2) . .
C29 C28 C27 122.0(2) . .
C29 C28 H28 119.0 . .
C27 C28 H28 119.0 . .
C28 C29 C30 117.4(2) . .
C28 C29 C33 120.5(2) . .
C30 C29 C33 122.1(2) . .
C25 C30 C29 121.5(2) . .
C25 C30 H30 119.3 . .
C29 C30 H30 119.3 . .
O10 C31 O9 125.4(2) . .
O10 C31 C25 117.32(19) . .
O9 C31 C25 117.24(19) . .
O12 C32 O11 124.8(2) . .
O12 C32 C27 117.66(19) . .
O11 C32 C27 117.52(19) . .
C34 C33 C35' 129.7(4) . .
C34 C33 C36' 59.9(5) . .
C35' C33 C36' 111.6(5) . .
C34 C33 C29 115.1(3) . .
C35' C33 C29 114.2(4) . .
C36' C33 C29 108.9(4) . .
C34 C33 C35 109.9(4) . .
C35' C33 C35 42.2(4) . .
C36' C33 C35 140.6(4) . .
C29 C33 C35 109.4(3) . .
C34 C33 C36 107.4(5) . .
C35' C33 C36 65.7(5) . .
C36' C33 C36 51.9(4) . .
C29 C33 C36 107.5(3) . .
C35 C33 C36 107.1(4) . .
C34 C33 C34' 45.1(4) . .
C35' C33 C34' 108.7(5) . .
C36' C33 C34' 104.5(6) . .
C29 C33 C34' 108.4(3) . .
C35 C33 C34' 71.2(4) . .
C36 C33 C34' 142.2(4) . .
N1 C37 C38 123.6(3) . .
N1 C37 H37 118.2 . .
C38 C37 H37 118.2 . .
C39 C38 C37 121.0(3) . .
C39 C38 H38 119.5 . .
C37 C38 H38 119.5 . .
C38 C39 C40 115.5(3) . .
C38 C39 C42 122.5(3) . .
C40 C39 C42 122.0(3) . .
C39 C40 C41 120.7(3) . .
C39 C40 H40 119.6 . .
C41 C40 H40 119.6 . .
N1 C41 C40 124.1(3) . .
N1 C41 H41 118.0 . .
C40 C41 H41 118.0 . .
C39 C42 C43 112.1(3) . .
C39 C42 H42A 109.2 . .
C43 C42 H42A 109.2 . .
C39 C42 H42B 109.2 . .
C43 C42 H42B 109.2 . .
H42A C42 H42B 107.9 . .
C42 C43 C44 113.2(3) . .
C42 C43 H43A 108.9 . .
C44 C43 H43A 108.9 . .
C42 C43 H43B 108.9 . .
C44 C43 H43B 108.9 . .
H43A C43 H43B 107.8 . .
C45 C44 C43 111.9(2) . .
C45 C44 H44A 109.2 . .
C43 C44 H44A 109.2 . .
C45 C44 H44B 109.2 . .
C43 C44 H44B 109.2 . .
H44A C44 H44B 107.9 . .
C49 C45 C46 116.9(2) . .
C49 C45 C44 121.7(3) . .
C46 C45 C44 121.4(3) . .
C45 C46 C47 119.7(3) . .
C45 C46 H46 120.1 . .
C47 C46 H46 120.1 . .
N2 C47 C46 123.6(2) . .
N2 C47 H47 118.2 . .
C46 C47 H47 118.2 . .
N2 C48 C49 122.5(3) . .
N2 C48 H48 118.8 . .
C49 C48 H48 118.8 . .
C45 C49 C48 120.5(3) . .
C45 C49 H49 119.8 . .
C48 C49 H49 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C10 C9 1.541(6) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C9 1.475(5) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C9 1.586(5) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C10' C9 1.508(8) .
C10' H10D 0.9600 .
C10' H10E 0.9600 .
C10' H10F 0.9600 .
C11' C9 1.505(7) .
C11' H11D 0.9600 .
C11' H11E 0.9600 .
C11' H11F 0.9600 .
C12' C9 1.590(7) .
C12' H12D 0.9600 .
C12' H12E 0.9600 .
C12' H12F 0.9600 .
C34' C33 1.555(6) .
C34' H34A 0.9600 .
C34' H34B 0.9600 .
C34' H34C 0.9600 .
C35' C33 1.491(6) .
C35' H35A 0.9600 .
C35' H35B 0.9600 .
C35' H35C 0.9600 .
C36' C33 1.516(7) .
C36' H36A 0.9600 .
C36' H36B 0.9600 .
C36' H36C 0.9600 .
C34 C33 1.490(5) .
C34 H34D 0.9600 .
C34 H34E 0.9600 .
C34 H34F 0.9600 .
C35 C33 1.537(6) .
C35 H35D 0.9600 .
C35 H35E 0.9600 .
C35 H35F 0.9600 .
C36 C33 1.541(5) .
C36 H36D 0.9600 .
C36 H36E 0.9600 .
C36 H36F 0.9600 .
Co1 O1 1.9463(17) .
Co1 O11 1.9668(15) 1_455
Co1 O13 1.9782(15) .
Co1 O5 2.0056(15) .
Co2 O13 2.0533(15) .
Co2 O10 2.0558(15) .
Co2 O8 2.0575(15) 2_766
Co2 O4 2.1263(16) 2_765
Co2 N2 2.1278(19) 1_665
Co2 O6 2.2464(16) .
Co3 O9 2.0055(15) .
Co3 O7 2.0064(16) 2_766
Co3 O12 2.0411(15) 1_455
Co3 O13 2.0538(15) .
Co3 N1 2.139(2) .
O1 C7 1.282(3) .
O2 C7 1.238(3) .
O3 C8 1.320(3) .
O3 H3 0.8200 .
O4 C8 1.223(3) .
O4 Co2 2.1263(16) 2_765
O5 C19 1.259(3) .
O6 C19 1.272(3) .
O7 C20 1.257(3) .
O7 Co3 2.0063(16) 2_766
O8 C20 1.255(3) .
O8 Co2 2.0576(15) 2_766
O9 C31 1.267(3) .
O10 C31 1.254(3) .
O11 C32 1.271(3) .
O11 Co1 1.9668(15) 1_655
O12 C32 1.258(3) .
O12 Co3 2.0411(15) 1_655
O13 H13D 0.853(10) .
N1 C41 1.314(4) .
N1 C37 1.322(3) .
N2 C47 1.334(3) .
N2 C48 1.342(3) .
N2 Co2 2.1279(19) 1_445
C1 C2 1.385(3) .
C1 C6 1.389(3) .
C1 C7 1.509(3) .
C2 C3 1.389(3) .
C2 H2 0.9300 .
C3 C4 1.397(3) .
C3 C8 1.481(3) .
C4 C5 1.390(3) .
C4 H4 0.9300 .
C5 C6 1.395(3) .
C5 C9 1.539(3) .
C6 H6 0.9300 .
C13 C14 1.387(3) .
C13 C18 1.396(3) .
C13 C19 1.494(3) .
C14 C15 1.390(3) .
C14 H14 0.9300 .
C15 C16 1.389(3) .
C15 C20 1.506(3) .
C16 C17 1.398(3) .
C16 H16 0.9300 .
C17 C18 1.390(3) .
C17 C21 1.540(3) .
C18 H18 0.9300 .
C21 C24 1.516(4) .
C21 C22 1.525(4) .
C21 C23 1.525(5) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.385(3) .
C25 C30 1.398(3) .
C25 C31 1.509(3) .
C26 C27 1.396(3) .
C26 H26 0.9300 .
C27 C28 1.396(3) .
C27 C32 1.493(3) .
C28 C29 1.394(3) .
C28 H28 0.9300 .
C29 C30 1.398(3) .
C29 C33 1.534(3) .
C30 H30 0.9300 .
C37 C38 1.380(4) .
C37 H37 0.9300 .
C38 C39 1.352(4) .
C38 H38 0.9300 .
C39 C40 1.355(4) .
C39 C42 1.507(4) .
C40 C41 1.380(4) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 C43 1.522(5) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C44 1.537(4) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 C45 1.512(4) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C49 1.378(4) .
C45 C46 1.380(4) .
C46 C47 1.382(3) .
C46 H46 0.9300 .
C47 H47 0.9300 .
C48 C49 1.386(4) .
C48 H48 0.9300 .
C49 H49 0.9300 .
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
O13 H13D O2 0.853(10) 1.976(16) 2.750(2) 150(3) .
O3 H3 O6 0.82 1.86 2.669(2) 166.9 2_765
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
O11 Co1 O1 C7 -111.88(19) 1_455
O13 Co1 O1 C7 6.7(2) .
O5 Co1 O1 C7 130.64(19) .
O1 Co1 O5 C19 -68.17(16) .
O11 Co1 O5 C19 175.38(14) 1_455
O13 Co1 O5 C19 48.35(16) .
O13 Co2 O6 C19 82.79(18) .
O10 Co2 O6 C19 -177.0(5) .
O8 Co2 O6 C19 -9.97(18) 2_766
O4 Co2 O6 C19 171.41(18) 2_765
N2 Co2 O6 C19 -100.02(18) 1_665
O7 Co3 O9 C31 -41.3(2) 2_766
O12 Co3 O9 C31 147.28(17) 1_455
O13 Co3 O9 C31 51.85(19) .
N1 Co3 O9 C31 -127.40(19) .
O13 Co2 O10 C31 14.2(2) .
O8 Co2 O10 C31 107.68(19) 2_766
O4 Co2 O10 C31 -73.8(2) 2_765
N2 Co2 O10 C31 -162.3(2) 1_665
O6 Co2 O10 C31 -85.4(6) .
O1 Co1 O13 Co2 100.79(8) .
O11 Co1 O13 Co2 -140.76(7) 1_455
O5 Co1 O13 Co2 -13.13(10) .
O1 Co1 O13 Co3 -137.38(8) .
O11 Co1 O13 Co3 -18.94(9) 1_455
O5 Co1 O13 Co3 108.69(8) .
O10 Co2 O13 Co1 161.51(7) .
O8 Co2 O13 Co1 63.29(8) 2_766
O4 Co2 O13 Co1 -112.33(8) 2_765
N2 Co2 O13 Co1 -49.9(6) 1_665
O6 Co2 O13 Co1 -25.14(7) .
O10 Co2 O13 Co3 38.75(8) .
O8 Co2 O13 Co3 -59.46(7) 2_766
O4 Co2 O13 Co3 124.91(7) 2_765
N2 Co2 O13 Co3 -172.6(5) 1_665
O6 Co2 O13 Co3 -147.90(7) .
O9 Co3 O13 Co1 177.98(8) .
O7 Co3 O13 Co1 -66.11(8) 2_766
O12 Co3 O13 Co1 40.34(8) 1_455
N1 Co3 O13 Co1 -41(3) .
O9 Co3 O13 Co2 -60.65(8) .
O7 Co3 O13 Co2 55.26(8) 2_766
O12 Co3 O13 Co2 161.72(7) 1_455
N1 Co3 O13 Co2 80(3) .
O9 Co3 N1 C41 39.7(3) .
O7 Co3 N1 C41 -76.3(3) 2_766
O12 Co3 N1 C41 177.2(3) 1_455
O13 Co3 N1 C41 -101(3) .
O9 Co3 N1 C37 -146.7(2) .
O7 Co3 N1 C37 97.4(2) 2_766
O12 Co3 N1 C37 -9.2(2) 1_455
O13 Co3 N1 C37 73(4) .
C6 C1 C2 C3 1.1(4) .
C7 C1 C2 C3 179.8(2) .
C1 C2 C3 C4 -0.5(4) .
C1 C2 C3 C8 179.8(2) .
C2 C3 C4 C5 -0.7(4) .
C8 C3 C4 C5 179.0(2) .
C3 C4 C5 C6 1.3(4) .
C3 C4 C5 C9 -178.8(2) .
C2 C1 C6 C5 -0.5(4) .
C7 C1 C6 C5 -179.2(2) .
C4 C5 C6 C1 -0.7(4) .
C9 C5 C6 C1 179.4(3) .
Co1 O1 C7 O2 6.6(3) .
Co1 O1 C7 C1 -172.64(15) .
C2 C1 C7 O2 3.3(4) .
C6 C1 C7 O2 -178.0(2) .
C2 C1 C7 O1 -177.5(2) .
C6 C1 C7 O1 1.3(3) .
Co2 O4 C8 O3 -3.6(4) 2_765
Co2 O4 C8 C3 177.10(16) 2_765
C2 C3 C8 O4 -170.5(2) .
C4 C3 C8 O4 9.7(4) .
C2 C3 C8 O3 10.1(3) .
C4 C3 C8 O3 -169.6(2) .
C4 C5 C9 C11 -76.0(5) .
C6 C5 C9 C11 103.9(5) .
C4 C5 C9 C11' 11.3(7) .
C6 C5 C9 C11' -168.8(6) .
C4 C5 C9 C10' 140.7(6) .
C6 C5 C9 C10' -39.4(6) .
C4 C5 C9 C10 158.9(4) .
C6 C5 C9 C10 -21.2(5) .
C4 C5 C9 C12 44.2(4) .
C6 C5 C9 C12 -135.9(4) .
C4 C5 C9 C12' -104.7(5) .
C6 C5 C9 C12' 75.3(5) .
C18 C13 C14 C15 -0.7(3) .
C19 C13 C14 C15 176.3(2) .
C13 C14 C15 C16 1.7(3) .
C13 C14 C15 C20 -177.3(2) .
C14 C15 C16 C17 -0.8(4) .
C20 C15 C16 C17 178.2(2) .
C15 C16 C17 C18 -1.2(4) .
C15 C16 C17 C21 -176.9(2) .
C16 C17 C18 C13 2.2(4) .
C21 C17 C18 C13 177.9(2) .
C14 C13 C18 C17 -1.3(4) .
C19 C13 C18 C17 -178.3(2) .
Co1 O5 C19 O6 -11.6(3) .
Co1 O5 C19 C13 169.57(16) .
Co2 O6 C19 O5 -61.0(3) .
Co2 O6 C19 C13 117.85(18) .
C14 C13 C19 O5 33.2(3) .
C18 C13 C19 O5 -149.8(2) .
C14 C13 C19 O6 -145.6(2) .
C18 C13 C19 O6 31.3(3) .
Co2 O8 C20 O7 -0.2(4) 2_766
Co2 O8 C20 C15 179.22(14) 2_766
Co3 O7 C20 O8 7.0(4) 2_766
Co3 O7 C20 C15 -172.44(17) 2_766
C16 C15 C20 O8 174.8(2) .
C14 C15 C20 O8 -6.3(3) .
C16 C15 C20 O7 -5.8(3) .
C14 C15 C20 O7 173.2(2) .
C18 C17 C21 C24 24.5(4) .
C16 C17 C21 C24 -160.0(3) .
C18 C17 C21 C22 145.2(3) .
C16 C17 C21 C22 -39.3(4) .
C18 C17 C21 C23 -96.1(3) .
C16 C17 C21 C23 79.4(3) .
C30 C25 C26 C27 0.0(4) .
C31 C25 C26 C27 -179.2(2) .
C25 C26 C27 C28 -0.2(3) .
C25 C26 C27 C32 178.5(2) .
C26 C27 C28 C29 0.9(4) .
C32 C27 C28 C29 -177.8(2) .
C27 C28 C29 C30 -1.4(4) .
C27 C28 C29 C33 179.2(2) .
C26 C25 C30 C29 -0.6(4) .
C31 C25 C30 C29 178.7(2) .
C28 C29 C30 C25 1.3(4) .
C33 C29 C30 C25 -179.4(2) .
Co2 O10 C31 O9 -37.4(3) .
Co2 O10 C31 C25 143.19(16) .
Co3 O9 C31 O10 -4.3(3) .
Co3 O9 C31 C25 175.03(14) .
C26 C25 C31 O10 3.2(3) .
C30 C25 C31 O10 -176.0(2) .
C26 C25 C31 O9 -176.2(2) .
C30 C25 C31 O9 4.6(3) .
Co3 O12 C32 O11 20.6(4) 1_655
Co3 O12 C32 C27 -159.67(16) 1_655
Co1 O11 C32 O12 27.2(3) 1_655
Co1 O11 C32 C27 -152.55(16) 1_655
C28 C27 C32 O12 -16.0(3) .
C26 C27 C32 O12 165.4(2) .
C28 C27 C32 O11 163.8(2) .
C26 C27 C32 O11 -14.9(3) .
C28 C29 C33 C34 179.7(5) .
C30 C29 C33 C34 0.3(6) .
C28 C29 C33 C35' -10.7(6) .
C30 C29 C33 C35' 170.0(5) .
C28 C29 C33 C36' 114.8(5) .
C30 C29 C33 C36' -64.5(6) .
C28 C29 C33 C35 -56.1(4) .
C30 C29 C33 C35 124.6(4) .
C28 C29 C33 C36 60.0(4) .
C30 C29 C33 C36 -119.4(4) .
C28 C29 C33 C34' -132.1(5) .
C30 C29 C33 C34' 48.6(5) .
C41 N1 C37 C38 1.8(5) .
Co3 N1 C37 C38 -172.0(3) .
N1 C37 C38 C39 0.0(6) .
C37 C38 C39 C40 -2.0(6) .
C37 C38 C39 C42 179.0(3) .
C38 C39 C40 C41 2.2(7) .
C42 C39 C40 C41 -178.8(4) .
C37 N1 C41 C40 -1.6(6) .
Co3 N1 C41 C40 172.6(4) .
C39 C40 C41 N1 -0.4(8) .
C38 C39 C42 C43 -91.9(4) .
C40 C39 C42 C43 89.2(5) .
C39 C42 C43 C44 178.7(3) .
C42 C43 C44 C45 -60.9(4) .
C43 C44 C45 C49 94.7(4) .
C43 C44 C45 C46 -83.9(4) .
C49 C45 C46 C47 0.1(4) .
C44 C45 C46 C47 178.8(2) .
C48 N2 C47 C46 1.0(4) .
Co2 N2 C47 C46 -179.86(19) 1_445
C45 C46 C47 N2 -1.2(4) .
C47 N2 C48 C49 0.2(4) .
Co2 N2 C48 C49 -178.9(2) 1_445
C46 C45 C49 C48 1.1(4) .
C44 C45 C49 C48 -177.6(3) .
N2 C48 C49 C45 -1.3(4) .
