#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:45:22 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/22/7702232.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_7702232
loop_
_publ_author_name
'Hollingsworth, Ryan L.'
'Beattie, Jeffrey W.'
'Grass, Amanda'
'Martin, Philip D.'
'Groysman, Stanislav'
'Lord, Richard L.'
_publ_section_title
;
 Reactions of dicobalt octacarbonyl with dinucleating and mononucleating
 bis(imino)pyridine ligands.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15353
_journal_page_last               15363
_journal_paper_doi               10.1039/c8dt03405b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C70 H66 Co4 N6 O12, 2(C4 H9 O)'
_chemical_formula_sum            'C78 H84 Co4 N6 O14'
_chemical_formula_weight         1565.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_Int_Tables_number      15
_atom_sites_solution_primary     direct
_audit_creation_date             2018-09-25
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-09-25 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.7044(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.960(3)
_cell_length_b                   10.0567(12)
_cell_length_c                   30.999(4)
_cell_measurement_reflns_used    8005
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.33
_cell_measurement_theta_min      2.19
_cell_volume                     7590.7(16)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.9970
_diffrn_measured_fraction_theta_max 0.9970
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_unetI/netI     0.0586
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            30048
_diffrn_reflns_theta_full        25.3515
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.35
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.926
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6594
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0674 before and 0.0599 after correction.
The Ratio of minimum to maximum transmission is 0.8849.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.3696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             3263.0282
_exptl_crystal_size_max          0.289
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.131
_refine_diff_density_max         0.8882
_refine_diff_density_min         -0.4234
_refine_diff_density_rms         0.1069
_refine_ls_d_res_high            0.8300
_refine_ls_d_res_low             15.1199
_refine_ls_goodness_of_fit_ref   1.0157
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    63
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6934
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0157
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.0005
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0486P)²+16.7864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1264
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              29
_reflns_limit_h_min              -30
_reflns_limit_k_max              12
_reflns_limit_k_min              0
_reflns_limit_l_max              37
_reflns_limit_l_min              0
_reflns_number_gt                4873
_reflns_number_total             6934
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c8dt03405b2.cif
_cod_data_source_block           sg817d
_cod_original_cell_volume        7590.6(16)
_cod_database_code               7702232
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C51(H51a,H51b)
2.b Aromatic/amide H refined with riding coordinates:
 C35(H35), C13(H13), C9(H9), C11(H11), C15(H15), C5(H5), C8(H8), C28(H28),
 C30(H30), C7(H7)
2.c Idealised Me refined as rotating group:
 C25(H25a,H25b,H25c), C34(H34a,H34b,H34c), C24(H24a,H24b,H24c), C26(H26a,H26b,
 H26c), C22(H22a,H22b,H22c), C33(H33a,H33b,H33c), C21(H21a,H21b,H21c), C32(H32a,
 H32b,H32c), C38(H38a,H38b,H38c), C50(H50a,H50b,H50c)
;
_olex2_submission_original_sample_id sg817d
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z-1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_refinement_flags_posn
C29 C -0.11498(14) 0.6963(3) 0.04359(11) 0.0288(8) Uani 1.000000 .
Co1 Co 0.031155(17) 0.81821(4) 0.181802(14) 0.02266(13) Uani 1.000000 .
Co2 Co 0.09115(2) 0.80846(5) 0.115496(16) 0.03461(15) Uani 1.000000 .
N3 N 0.08929(10) 0.8105(3) 0.23411(8) 0.0224(6) Uani 1.000000 .
C35 C 0.1336(2) 0.8012(5) 0.97698(15) 0.0612(13) Uani 1.000000 .
H35 H 0.1601(2) 0.7923(5) 1.00397(15) 0.0735(16) Uiso 1.000000 R
O6 O 0.10352(9) 0.7495(2) 0.32197(7) 0.0268(5) Uani 1.000000 .
N2 N 0.03461(11) 0.9952(3) 0.19627(9) 0.0236(6) Uani 1.000000 .
C6 C -0.00046(13) 1.0837(3) 0.17057(11) 0.0274(8) Uani 1.000000 .
C17 C 0.12958(13) 0.6673(3) 0.29752(11) 0.0236(7) Uani 1.000000 .
C27 C -0.07336(13) 0.7975(3) 0.11351(10) 0.0240(7) Uani 1.000000 .
N1 N -0.03319(11) 0.8811(3) 0.14098(9) 0.0255(6) Uani 1.000000 .
C12 C 0.12006(13) 0.6951(3) 0.25235(10) 0.0231(7) Uani 1.000000 .
C13 C 0.14174(13) 0.6126(3) 0.22488(11) 0.0257(7) Uani 1.000000 .
H13 H 0.13445(13) 0.6308(3) 0.19407(11) 0.0308(9) Uiso 1.000000 R
C20 C 0.10725(13) 0.7203(3) 0.36575(10) 0.0239(7) Uani 1.000000 .
C9 C 0.07745(14) 1.1718(3) 0.24305(12) 0.0314(8) Uani 1.000000 .
H9 H 0.10350(14) 1.2015(3) 0.26835(12) 0.0377(10) Uiso 1.000000 R
C10 C 0.07256(13) 1.0379(3) 0.23258(11) 0.0267(8) Uani 1.000000 .
O5 O -0.00845(11) 0.5519(3) 0.19459(10) 0.0502(8) Uani 1.000000 .
O8 O 0.14124(11) 0.8696(3) 0.93946(9) 0.0489(7) Uani 1.000000 .
C11 C 0.10296(13) 0.9269(3) 0.25369(11) 0.0252(7) Uani 1.000000 .
H11 H 0.13093(13) 0.9355(3) 0.27983(11) 0.0302(9) Uiso 1.000000 R
C15 C 0.18417(13) 0.4813(3) 0.28671(11) 0.0280(8) Uani 1.000000 .
H15 H 0.20706(13) 0.4088(3) 0.29872(11) 0.0336(9) Uiso 1.000000 R
C14 C 0.17418(13) 0.5028(3) 0.24149(11) 0.0247(7) Uani 1.000000 .
O4 O 0.15989(13) 0.9737(3) 0.18293(10) 0.0585(8) Uani 1.000000 .
C16 C 0.16227(13) 0.5608(3) 0.31548(11) 0.0267(8) Uani 1.000000 .
C18 C 0.17623(15) 0.5352(4) 0.36570(11) 0.0321(8) Uani 1.000000 .
C5 C -0.03998(14) 1.0107(3) 0.13866(11) 0.0282(8) Uani 1.000000 .
H5 H -0.06853(14) 1.0525(3) 0.11770(11) 0.0339(9) Uiso 1.000000 R
C8 C 0.04373(15) 1.2620(4) 0.21602(13) 0.0378(9) Uani 1.000000 .
H8 H 0.04745(15) 1.3544(4) 0.22236(13) 0.0453(11) Uiso 1.000000 R
C31 C -0.11971(16) 0.6901(4) -0.00660(12) 0.0386(9) Uani 1.000000 .
C23 C 0.20035(14) 0.4182(3) 0.21015(11) 0.0304(8) Uani 1.000000 .
C28 C -0.07839(14) 0.7872(3) 0.06871(11) 0.0291(8) Uani 1.000000 .
H28 H -0.05672(14) 0.8425(3) 0.05446(11) 0.0349(10) Uiso 1.000000 R
C25 C 0.15868(16) 0.3857(4) 0.16737(12) 0.0434(10) Uani 1.000000 .
H25a H 0.1274(5) 0.338(2) 0.17444(13) 0.0651(15) Uiso 1.000000 GR
H25b H 0.1459(8) 0.4684(4) 0.1517(4) 0.0651(15) Uiso 1.000000 GR
H25c H 0.1761(3) 0.330(2) 0.1485(4) 0.0651(15) Uiso 1.000000 GR
C30 C -0.14522(14) 0.6158(4) 0.06548(11) 0.0309(8) Uani 1.000000 .
H30 H -0.16909(14) 0.5513(4) 0.04899(11) 0.0371(10) Uiso 1.000000 R
O2 O 0.02977(14) 0.5583(3) 0.10307(11) 0.0618(9) Uani 1.000000 .
O3 O 0.18603(14) 0.7145(4) 0.08385(12) 0.0710(10) Uani 1.000000 .
C39 C 0.00798(14) 0.6540(4) 0.18798(12) 0.0325(8) Uani 1.000000 .
O1 O 0.02921(13) 1.0012(4) 0.05367(12) 0.0764(11) Uani 1.000000 .
C4 C 0.12992(18) 0.9071(4) 0.15868(14) 0.0448(10) Uani 1.000000 .
C3 C 0.05216(17) 0.6584(4) 0.11069(14) 0.0440(10) Uani 1.000000 .
C34 C -0.1389(2) 0.8243(5) -0.02691(13) 0.0609(13) Uani 1.000000 .
H34a H -0.1758(6) 0.8434(15) -0.0222(9) 0.091(2) Uiso 1.000000 GR
H34b H -0.1134(7) 0.8938(7) -0.0129(7) 0.091(2) Uiso 1.000000 GR
H34c H -0.1400(12) 0.8222(11) -0.0587(2) 0.091(2) Uiso 1.000000 GR
C1 C 0.05283(17) 0.9252(5) 0.07790(14) 0.0478(11) Uani 1.000000 .
C2 C 0.14760(18) 0.7504(4) 0.09581(14) 0.0472(10) Uani 1.000000 .
C24 C 0.24732(17) 0.4989(4) 0.19845(14) 0.0465(11) Uani 1.000000 .
H24a H 0.2326(2) 0.5810(13) 0.1833(8) 0.0698(16) Uiso 1.000000 GR
H24b H 0.2742(6) 0.521(2) 0.22559(16) 0.0698(16) Uiso 1.000000 GR
H24c H 0.2651(7) 0.4463(11) 0.1790(7) 0.0698(16) Uiso 1.000000 GR
C26 C 0.22402(18) 0.2889(4) 0.23137(13) 0.0451(10) Uani 1.000000 .
H26a H 0.2537(7) 0.3084(4) 0.2570(5) 0.0676(16) Uiso 1.000000 GR
H26b H 0.1951(3) 0.2385(12) 0.2410(8) 0.0676(16) Uiso 1.000000 GR
H26c H 0.2385(10) 0.2364(12) 0.2098(3) 0.0676(16) Uiso 1.000000 GR
C22 C 0.1636(2) 0.3888(4) 0.37421(14) 0.0590(14) Uani 1.000000 .
H22a H 0.1248(4) 0.3704(9) 0.3615(9) 0.088(2) Uiso 1.000000 GR
H22b H 0.1866(9) 0.3308(4) 0.3605(9) 0.088(2) Uiso 1.000000 GR
H22c H 0.1714(12) 0.3723(9) 0.40614(14) 0.088(2) Uiso 1.000000 GR
C33 C -0.0631(2) 0.6608(5) -0.01594(15) 0.0633(14) Uani 1.000000 .
H33a H -0.0374(4) 0.7312(17) -0.0031(9) 0.095(2) Uiso 1.000000 GR
H33b H -0.0498(6) 0.5751(15) -0.0028(9) 0.095(2) Uiso 1.000000 GR
H33c H -0.0660(3) 0.657(3) -0.04796(15) 0.095(2) Uiso 1.000000 GR
C51 C 0.19523(18) 0.9185(5) 0.94465(15) 0.0562(12) Uani 1.000000 .
H51a H 0.20376(18) 0.9794(5) 0.97033(15) 0.0675(14) Uiso 1.000000 R
H51b H 0.22167(18) 0.8438(5) 0.95019(15) 0.0675(14) Uiso 1.000000 R
C21 C 0.23749(16) 0.5644(5) 0.38340(13) 0.0607(14) Uani 1.000000 .
H21a H 0.25943(17) 0.505(2) 0.3691(8) 0.091(2) Uiso 1.000000 GR
H21b H 0.2452(3) 0.6570(10) 0.3770(9) 0.091(2) Uiso 1.000000 GR
H21c H 0.2470(3) 0.550(3) 0.4154(2) 0.091(2) Uiso 1.000000 GR
C32 C -0.1595(2) 0.5829(6) -0.02848(14) 0.0783(18) Uani 1.000000 .
H32a H -0.1464(8) 0.4958(6) -0.0165(9) 0.117(3) Uiso 1.000000 GR
H32b H -0.1959(4) 0.600(2) -0.0226(10) 0.117(3) Uiso 1.000000 GR
H32c H -0.1619(12) 0.584(3) -0.0605(2) 0.117(3) Uiso 1.000000 GR
C7 C 0.00453(15) 1.2183(4) 0.17973(13) 0.0362(9) Uani 1.000000 .
H7 H -0.01862(15) 1.2804(4) 0.16138(13) 0.0434(11) Uiso 1.000000 R
C38 C 0.20033(18) 0.9905(5) 0.90387(16) 0.0612(13) Uani 1.000000 .
H38a H 0.1901(13) 0.9310(11) 0.8783(2) 0.092(2) Uiso 1.000000 GR
H38b H 0.1759(10) 1.0679(18) 0.8997(6) 0.092(2) Uiso 1.000000 GR
H38c H 0.2384(3) 1.020(3) 0.9067(5) 0.092(2) Uiso 1.000000 GR
C50 C 0.0766(2) 0.7442(6) 0.9675(2) 0.0867(19) Uani 1.000000 .
H50a H 0.0719(6) 0.684(3) 0.9421(8) 0.130(3) Uiso 1.000000 GR
H50b H 0.0709(6) 0.695(3) 0.9934(5) 0.130(3) Uiso 1.000000 GR
H50c H 0.0497(2) 0.8165(6) 0.9608(13) 0.130(3) Uiso 1.000000 GR
C40 C 0.14201(13) 0.6256(3) 0.38887(11) 0.0272(8) Uani 1.000000 .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Co 0.35655 0.96576 12.28410 7.34090 4.00340 2.34880 4.27910 0.27840 13.53590
71.16920 1.01180005074
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
C28 C29 C31 119.0(3) . .
C30 C29 C31 123.0(3) . .
C30 C29 C28 118.0(3) . .
N3 Co1 Co2 101.03(8) . .
N2 Co1 Co2 102.11(8) . .
N2 Co1 N3 81.20(11) . .
N1 Co1 Co2 91.87(8) . .
N1 Co1 N3 159.18(11) . .
N1 Co1 N2 80.15(12) . .
C39 Co1 Co2 106.65(12) . .
C39 Co1 N3 94.29(13) . .
C39 Co1 N2 151.21(15) . .
C39 Co1 N1 97.61(14) . .
C4 Co2 Co1 73.57(13) . .
C3 Co2 Co1 73.78(13) . .
C3 Co2 C4 137.18(19) . .
C1 Co2 Co1 99.24(13) . .
C1 Co2 C4 104.5(2) . .
C1 Co2 C3 107.40(19) . .
C2 Co2 Co1 150.20(14) . .
C2 Co2 C4 95.86(19) . .
C2 Co2 C3 98.88(19) . .
C2 Co2 C1 110.4(2) . .
C12 N3 Co1 127.1(2) . .
C11 N3 Co1 114.8(2) . .
C11 N3 C12 118.1(3) . .
C50 C35 O8 108.7(4) . .
C20 O6 C17 118.6(2) . .
C6 N2 Co1 119.8(2) . .
C10 N2 Co1 119.5(2) . .
C10 N2 C6 120.7(3) . .
C5 C6 N2 108.8(3) . .
C7 C6 N2 119.9(3) . .
C7 C6 C5 131.2(3) . .
C12 C17 O6 115.8(3) . .
C16 C17 O6 123.4(3) . .
C16 C17 C12 120.8(3) . .
C20 C27 N1 117.7(3) 2 .
C28 C27 N1 122.8(3) . .
C28 C27 C20 119.4(3) . 2
C27 N1 Co1 124.9(2) . .
C5 N1 Co1 116.2(2) . .
C5 N1 C27 118.9(3) . .
C17 C12 N3 121.0(3) . .
C13 C12 N3 119.3(3) . .
C13 C12 C17 119.6(3) . .
C14 C13 C12 121.4(3) . .
C27 C20 O6 114.7(3) 2 .
C40 C20 O6 124.1(3) . .
C40 C20 C27 121.2(3) . 2
C8 C9 C10 118.9(3) . .
C9 C10 N2 120.4(3) . .
C11 C10 N2 109.5(3) . .
C11 C10 C9 130.1(3) . .
C51 O8 C35 112.2(4) . .
C10 C11 N3 115.0(3) . .
C16 C15 C14 123.3(3) . .
C15 C14 C13 117.1(3) . .
C23 C14 C13 119.7(3) . .
C23 C14 C15 123.0(3) . .
C15 C16 C17 117.7(3) . .
C18 C16 C17 121.2(3) . .
C18 C16 C15 121.1(3) . .
C22 C18 C16 108.9(3) . .
C21 C18 C16 108.4(3) . .
C21 C18 C22 110.3(3) . .
C40 C18 C16 110.4(3) . .
C40 C18 C22 109.3(3) . .
C40 C18 C21 109.5(3) . .
N1 C5 C6 114.1(3) . .
C7 C8 C9 120.6(3) . .
C34 C31 C29 109.3(3) . .
C33 C31 C29 109.3(3) . .
C33 C31 C34 108.2(4) . .
C32 C31 C29 112.2(3) . .
C32 C31 C34 109.2(4) . .
C32 C31 C33 108.5(4) . .
C25 C23 C14 111.3(3) . .
C24 C23 C14 108.0(3) . .
C24 C23 C25 108.5(3) . .
C26 C23 C14 112.2(3) . .
C26 C23 C25 108.6(3) . .
C26 C23 C24 108.1(3) . .
C27 C28 C29 121.1(3) . .
C40 C30 C29 122.5(3) 2 .
O5 C39 Co1 174.8(4) . .
O4 C4 Co2 170.7(4) . .
O2 C3 Co2 171.4(4) . .
O1 C1 Co2 178.6(4) . .
O3 C2 Co2 177.8(4) . .
C38 C51 O8 109.4(4) . .
C8 C7 C6 119.4(3) . .
C18 C40 C20 121.3(3) . .
C30 C40 C20 117.6(3) 2 .
C30 C40 C18 121.1(3) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C29 C31 1.536(5) .
C29 C28 1.401(5) .
C29 C30 1.382(5) .
Co1 Co2 2.7983(7) .
Co1 N3 1.925(3) .
Co1 N2 1.833(3) .
Co1 N1 1.920(3) .
Co1 C39 1.774(4) .
Co2 C4 1.772(5) .
Co2 C3 1.784(5) .
Co2 C1 1.778(4) .
Co2 C2 1.754(4) .
N3 C12 1.437(4) .
N3 C11 1.328(4) .
C35 O8 1.400(5) .
C35 C50 1.503(7) .
O6 C17 1.378(4) .
O6 C20 1.372(4) .
N2 C6 1.373(4) .
N2 C10 1.371(4) .
C6 C5 1.436(5) .
C6 C7 1.383(5) .
C17 C12 1.396(4) .
C17 C16 1.387(5) .
C27 N1 1.436(4) .
C27 C20 1.404(5) 2
C27 C28 1.371(5) .
N1 C5 1.314(4) .
C12 C13 1.382(4) .
C13 C14 1.399(4) .
C20 C40 1.378(5) .
C9 C10 1.384(5) .
C9 C8 1.386(5) .
C10 C11 1.426(5) .
O5 C39 1.141(4) .
O8 C51 1.410(5) .
C15 C14 1.386(5) .
C15 C16 1.396(5) .
C14 C23 1.541(5) .
O4 C4 1.152(5) .
C16 C18 1.540(5) .
C18 C22 1.540(5) .
C18 C21 1.535(5) .
C18 C40 1.530(5) .
C8 C7 1.390(5) .
C31 C34 1.522(6) .
C31 C33 1.532(6) .
C31 C32 1.521(6) .
C23 C25 1.530(5) .
C23 C24 1.534(5) .
C23 C26 1.517(5) .
C30 C40 1.403(5) 2
O2 C3 1.150(5) .
O3 C2 1.159(5) .
O1 C1 1.140(5) .
C51 C38 1.486(6) .
