#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:22:51 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175956 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223622.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_7223622
loop_
_publ_author_name
'Mu, Bao'
'Huang, Ru-Dan'
_publ_section_title
;
 A series of coordination polymers with tuned terphenyl tetracarboxylates
 and bis-pyridyl ligands with different flexibilities manifesting
 fluorescence properties and photocatalytic activities
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              986
_journal_paper_doi               10.1039/C5CE02174J
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C38 H32 Co2 N4 O9'
_chemical_formula_sum            'C38 H32 Co2 N4 O9'
_chemical_formula_weight         806.54
_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
_audit_update_record
;
2015-12-11 deposited with the CCDC.
2015-12-28 downloaded from the CCDC.
;
_cell_angle_alpha                103.410(2)
_cell_angle_beta                 102.141(2)
_cell_angle_gamma                94.2650(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2805(7)
_cell_length_b                   10.7128(8)
_cell_length_c                   17.9162(15)
_cell_measurement_reflns_used    1534
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.6
_cell_volume                     1679.6(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0461
_diffrn_reflns_av_sigmaI/netI    0.1118
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8607
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    1.054
_exptl_absorpt_correction_T_max  0.8929
_exptl_absorpt_correction_T_min  0.7937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5852
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0987
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0010P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                3319
_reflns_number_total             5852
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02174j2.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7223621--7223627.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7223622
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
Co1 Co 0.38433(7) 0.49511(5) 0.71481(4) 0.03433(19) Uani 1 1 d .
O1 O 0.4316(3) 0.3239(2) 0.73032(17) 0.0345(8) Uani 1 1 d .
N1 N 0.2437(4) 0.4191(3) 0.6054(2) 0.0299(10) Uani 1 1 d .
C1 C 0.5480(5) 0.2938(4) 0.7689(3) 0.0278(11) Uani 1 1 d .
Co2 Co 0.72705(7) 0.55202(5) 0.80325(4) 0.0350(2) Uani 1 1 d .
O2 O 0.6639(3) 0.3688(2) 0.80766(17) 0.0306(8) Uani 1 1 d .
N2 N -0.0413(4) 0.1209(3) 0.3385(2) 0.0411(11) Uani 1 1 d .
C2 C 0.5504(4) 0.1518(4) 0.7647(3) 0.0244(11) Uani 1 1 d .
O3 O 0.9389(3) 0.5412(3) 0.79098(19) 0.0619(11) Uani 1 1 d .
H3A H 0.9130 0.4905 0.7450 0.074 Uiso 1 1 d R
H3B H 1.0281 0.5769 0.8011 0.074 Uiso 1 1 d R
N3 N -0.0250(4) -0.0974(3) 0.2123(2) 0.0398(11) Uani 1 1 d .
C3 C 0.5118(4) 0.0688(4) 0.6893(3) 0.0280(11) Uani 1 1 d .
H3 H 0.4835 0.1032 0.6461 0.034 Uiso 1 1 calc R
O4 O 0.6787(3) -0.2808(2) 0.77862(18) 0.0327(8) Uani 1 1 d .
N4 N -0.1958(4) -0.3713(3) -0.0744(2) 0.0314(10) Uani 1 1 d .
C4 C 0.5143(4) -0.0649(4) 0.6766(3) 0.0252(11) Uani 1 1 d .
O5 O 0.4473(3) -0.3304(2) 0.70141(17) 0.0310(8) Uani 1 1 d .
C5 C 0.5618(4) -0.1121(4) 0.7419(2) 0.0240(11) Uani 1 1 d .
O6 O 0.5153(3) 0.4300(3) 1.16234(18) 0.0381(8) Uani 1 1 d .
C6 C 0.5641(5) -0.2533(4) 0.7397(3) 0.0277(11) Uani 1 1 d .
O7 O 0.7517(3) 0.4214(3) 1.20412(19) 0.0481(9) Uani 1 1 d .
C7 C 0.6009(4) -0.0286(4) 0.8164(3) 0.0282(11) Uani 1 1 d .
H7 H 0.6342 -0.0619 0.8595 0.034 Uiso 1 1 calc R
O8 O 0.3510(3) -0.4633(3) 0.32463(18) 0.0420(9) Uani 1 1 d .
C8 C 0.5923(4) 0.1040(4) 0.8294(3) 0.0257(11) Uani 1 1 d .
O9 O 0.1478(4) -0.3654(3) 0.3314(2) 0.0669(12) Uani 1 1 d .
C9 C 0.6161(5) 0.1850(4) 0.9116(2) 0.0255(11) Uani 1 1 d .
C10 C 0.7270(5) 0.1724(4) 0.9731(3) 0.0376(13) Uani 1 1 d .
H10 H 0.7948 0.1149 0.9625 0.045 Uiso 1 1 calc R
C11 C 0.7405(5) 0.2423(4) 1.0499(3) 0.0373(13) Uani 1 1 d .
H11 H 0.8192 0.2348 1.0897 0.045 Uiso 1 1 calc R
C12 C 0.6363(5) 0.3238(4) 1.0673(3) 0.0302(12) Uani 1 1 d .
C13 C 0.6363(6) 0.3938(4) 1.1488(3) 0.0349(12) Uani 1 1 d .
C14 C 0.5245(5) 0.3355(4) 1.0059(3) 0.0348(12) Uani 1 1 d .
H14 H 0.4535 0.3895 1.0167 0.042 Uiso 1 1 calc R
C15 C 0.5156(5) 0.2691(4) 0.9293(3) 0.0314(12) Uani 1 1 d .
H15 H 0.4409 0.2811 0.8890 0.038 Uiso 1 1 calc R
C16 C 0.4613(5) -0.1461(4) 0.5937(3) 0.0282(11) Uani 1 1 d .
C17 C 0.5313(5) -0.2499(4) 0.5641(3) 0.0325(12) Uani 1 1 d .
H17 H 0.6146 -0.2705 0.5956 0.039 Uiso 1 1 calc R
C18 C 0.4752(5) -0.3238(4) 0.4858(3) 0.0358(12) Uani 1 1 d .
H18 H 0.5238 -0.3919 0.4653 0.043 Uiso 1 1 calc R
C19 C 0.3504(5) -0.2970(4) 0.4394(3) 0.0352(12) Uani 1 1 d .
C20 C 0.2775(6) -0.3822(4) 0.3583(3) 0.0401(13) Uani 1 1 d .
C21 C 0.2837(5) -0.1926(4) 0.4703(3) 0.0494(15) Uani 1 1 d .
H21 H 0.1994 -0.1726 0.4392 0.059 Uiso 1 1 calc R
C22 C 0.3387(5) -0.1178(4) 0.5454(3) 0.0461(15) Uani 1 1 d .
H22 H 0.2927 -0.0468 0.5641 0.055 Uiso 1 1 calc R
C23 C 0.1735(5) 0.2970(4) 0.5830(3) 0.0431(14) Uani 1 1 d .
H23 H 0.1831 0.2481 0.6200 0.052 Uiso 1 1 calc R
C24 C 0.0883(5) 0.2410(5) 0.5080(3) 0.0466(14) Uani 1 1 d .
H24 H 0.0434 0.1558 0.4951 0.056 Uiso 1 1 calc R
C25 C 0.0697(5) 0.3109(4) 0.4526(3) 0.0373(13) Uani 1 1 d .
C26 C -0.0261(5) 0.2603(4) 0.3697(3) 0.0477(15) Uani 1 1 d .
H26A H -0.1244 0.2859 0.3690 0.057 Uiso 1 1 calc R
H26B H 0.0158 0.3015 0.3348 0.057 Uiso 1 1 calc R
C27 C 0.0997(5) 0.0813(4) 0.3251(3) 0.0469(15) Uani 1 1 d .
H27A H 0.1733 0.1024 0.3750 0.056 Uiso 1 1 calc R
H27B H 0.1345 0.1280 0.2906 0.056 Uiso 1 1 calc R
C28 C 0.0823(5) -0.0615(4) 0.2884(3) 0.0462(14) Uani 1 1 d .
H28A H 0.1778 -0.0866 0.2813 0.055 Uiso 1 1 calc R
H28B H 0.0496 -0.1079 0.3236 0.055 Uiso 1 1 calc R
C29 C -0.1666(5) -0.0595(4) 0.2253(3) 0.0501(15) Uani 1 1 d .
H29A H -0.2004 -0.1060 0.2603 0.060 Uiso 1 1 calc R
H29B H -0.2403 -0.0820 0.1755 0.060 Uiso 1 1 calc R
C30 C -0.1510(5) 0.0850(4) 0.2616(3) 0.0479(15) Uani 1 1 d .
H30A H -0.1192 0.1314 0.2262 0.057 Uiso 1 1 calc R
H30B H -0.2465 0.1094 0.2691 0.057 Uiso 1 1 calc R
C31 C -0.0358(5) -0.2369(4) 0.1774(3) 0.0526(15) Uani 1 1 d .
H31A H -0.0981 -0.2823 0.2025 0.063 Uiso 1 1 calc R
H31B H 0.0625 -0.2633 0.1890 0.063 Uiso 1 1 calc R
C32 C -0.0978(5) -0.2778(4) 0.0899(3) 0.0351(12) Uani 1 1 d .
C33 C -0.1299(5) -0.4078(4) 0.0538(3) 0.0405(13) Uani 1 1 d .
H33 H -0.1189 -0.4673 0.0844 0.049 Uiso 1 1 calc R
C34 C -0.1777(5) -0.4511(4) -0.0263(3) 0.0351(12) Uani 1 1 d .
H34 H -0.1986 -0.5398 -0.0486 0.042 Uiso 1 1 calc R
C35 C -0.1673(5) -0.2458(4) -0.0390(3) 0.0457(14) Uani 1 1 d .
H35 H -0.1806 -0.1876 -0.0704 0.055 Uiso 1 1 calc R
C36 C -0.1192(5) -0.1967(4) 0.0412(3) 0.0449(14) Uani 1 1 d .
H36 H -0.1012 -0.1076 0.0624 0.054 Uiso 1 1 calc R
C37 C 0.1426(5) 0.4355(4) 0.4754(3) 0.0376(13) Uani 1 1 d .
H37 H 0.1356 0.4857 0.4392 0.045 Uiso 1 1 calc R
C38 C 0.2251(5) 0.4856(4) 0.5508(3) 0.0312(12) Uani 1 1 d .
H38 H 0.2707 0.5707 0.5645 0.037 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
Co Co 0.3490 0.9720 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 '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
O1 Co1 O5 150.52(13) . 1_565
O1 Co1 N1 94.22(13) . .
O5 Co1 N1 98.62(13) 1_565 .
O1 Co1 O6 86.27(12) . 2_667
O5 Co1 O6 87.06(11) 1_565 2_667
N1 Co1 O6 166.87(14) . 2_667
O1 Co1 O7 110.00(13) . 2_667
O5 Co1 O7 91.30(12) 1_565 2_667
N1 Co1 O7 107.46(13) . 2_667
O6 Co1 O7 60.35(11) 2_667 2_667
C1 O1 Co1 129.9(3) . .
C38 N1 C23 116.1(4) . .
C38 N1 Co1 121.3(3) . .
C23 N1 Co1 122.4(3) . .
O2 C1 O1 126.8(4) . .
O2 C1 C2 116.9(4) . .
O1 C1 C2 116.2(4) . .
O4 Co2 O2 151.03(12) 1_565 .
O4 Co2 O3 104.46(13) 1_565 .
O2 Co2 O3 101.45(12) . .
O4 Co2 N4 95.99(13) 1_565 1_666
O2 Co2 N4 96.42(13) . 1_666
O3 Co2 N4 90.76(13) . 1_666
O4 Co2 O8 86.50(12) 1_565 2_656
O2 Co2 O8 81.45(11) . 2_656
O3 Co2 O8 88.39(13) . 2_656
N4 Co2 O8 177.49(13) 1_666 2_656
C1 O2 Co2 128.6(3) . .
C26 N2 C27 110.3(3) . .
C26 N2 C30 108.6(4) . .
C27 N2 C30 108.0(4) . .
C8 C2 C3 120.4(4) . .
C8 C2 C1 123.7(4) . .
C3 C2 C1 115.9(4) . .
Co2 O3 H3A 94.3 . .
Co2 O3 H3B 149.1 . .
H3A O3 H3B 111.7 . .
C29 N3 C28 107.8(4) . .
C29 N3 C31 111.8(4) . .
C28 N3 C31 109.8(4) . .
C2 C3 C4 121.9(4) . .
C2 C3 H3 119.0 . .
C4 C3 H3 119.0 . .
C6 O4 Co2 130.7(3) . 1_545
C35 N4 C34 115.7(4) . .
C35 N4 Co2 124.3(3) . 1_444
C34 N4 Co2 119.9(3) . 1_444
C5 C4 C3 117.5(4) . .
C5 C4 C16 124.9(4) . .
C3 C4 C16 117.5(4) . .
C6 O5 Co1 127.4(3) . 1_545
C7 C5 C4 119.9(4) . .
C7 C5 C6 115.3(4) . .
C4 C5 C6 124.6(4) . .
C13 O6 Co1 91.4(3) . 2_667
O4 C6 O5 127.0(4) . .
O4 C6 C5 115.6(4) . .
O5 C6 C5 117.3(4) . .
C13 O7 Co1 88.7(3) . 2_667
C5 C7 C8 122.6(4) . .
C5 C7 H7 118.7 . .
C8 C7 H7 118.7 . .
C20 O8 Co2 119.1(3) . 2_656
C2 C8 C7 117.5(4) . .
C2 C8 C9 122.7(4) . .
C7 C8 C9 119.5(4) . .
C15 C9 C10 117.6(4) . .
C15 C9 C8 118.9(4) . .
C10 C9 C8 123.2(4) . .
C11 C10 C9 122.1(4) . .
C11 C10 H10 118.9 . .
C9 C10 H10 118.9 . .
C10 C11 C12 119.7(4) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C14 C12 C11 118.2(4) . .
C14 C12 C13 118.9(4) . .
C11 C12 C13 122.9(4) . .
O7 C13 O6 119.3(5) . .
O7 C13 C12 122.7(5) . .
O6 C13 C12 118.0(4) . .
C15 C14 C12 121.6(4) . .
C15 C14 H14 119.2 . .
C12 C14 H14 119.2 . .
C14 C15 C9 120.7(4) . .
C14 C15 H15 119.6 . .
C9 C15 H15 119.6 . .
C22 C16 C17 118.8(4) . .
C22 C16 C4 119.2(4) . .
C17 C16 C4 122.0(4) . .
C16 C17 C18 119.4(4) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C19 C18 C17 121.0(4) . .
C19 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
C18 C19 C21 118.3(4) . .
C18 C19 C20 122.6(4) . .
C21 C19 C20 118.9(4) . .
O9 C20 O8 126.3(5) . .
O9 C20 C19 115.2(4) . .
O8 C20 C19 118.5(5) . .
C22 C21 C19 121.5(5) . .
C22 C21 H21 119.3 . .
C19 C21 H21 119.3 . .
C21 C22 C16 120.9(4) . .
C21 C22 H22 119.5 . .
C16 C22 H22 119.5 . .
N1 C23 C24 123.3(5) . .
N1 C23 H23 118.4 . .
C24 C23 H23 118.4 . .
C25 C24 C23 119.9(5) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C37 116.7(4) . .
C24 C25 C26 124.1(4) . .
C37 C25 C26 119.2(5) . .
N2 C26 C25 114.9(4) . .
N2 C26 H26A 108.5 . .
C25 C26 H26A 108.5 . .
N2 C26 H26B 108.5 . .
C25 C26 H26B 108.5 . .
H26A C26 H26B 107.5 . .
N2 C27 C28 110.5(4) . .
N2 C27 H27A 109.6 . .
C28 C27 H27A 109.6 . .
N2 C27 H27B 109.6 . .
C28 C27 H27B 109.6 . .
H27A C27 H27B 108.1 . .
N3 C28 C27 111.5(4) . .
N3 C28 H28A 109.3 . .
C27 C28 H28A 109.3 . .
N3 C28 H28B 109.3 . .
C27 C28 H28B 109.3 . .
H28A C28 H28B 108.0 . .
N3 C29 C30 110.3(4) . .
N3 C29 H29A 109.6 . .
C30 C29 H29A 109.6 . .
N3 C29 H29B 109.6 . .
C30 C29 H29B 109.6 . .
H29A C29 H29B 108.1 . .
N2 C30 C29 110.5(4) . .
N2 C30 H30A 109.6 . .
C29 C30 H30A 109.6 . .
N2 C30 H30B 109.6 . .
C29 C30 H30B 109.6 . .
H30A C30 H30B 108.1 . .
N3 C31 C32 114.4(4) . .
N3 C31 H31A 108.7 . .
C32 C31 H31A 108.7 . .
N3 C31 H31B 108.7 . .
C32 C31 H31B 108.7 . .
H31A C31 H31B 107.6 . .
C36 C32 C33 116.0(5) . .
C36 C32 C31 125.6(4) . .
C33 C32 C31 118.3(5) . .
C34 C33 C32 121.0(5) . .
C34 C33 H33 119.5 . .
C32 C33 H33 119.5 . .
N4 C34 C33 123.0(4) . .
N4 C34 H34 118.5 . .
C33 C34 H34 118.5 . .
N4 C35 C36 123.9(5) . .
N4 C35 H35 118.1 . .
C36 C35 H35 118.1 . .
C32 C36 C35 120.4(4) . .
C32 C36 H36 119.8 . .
C35 C36 H36 119.8 . .
C38 C37 C25 120.6(4) . .
C38 C37 H37 119.7 . .
C25 C37 H37 119.7 . .
N1 C38 C37 123.4(4) . .
N1 C38 H38 118.3 . .
C37 C38 H38 118.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.984(3) .
Co1 O5 2.000(3) 1_565
Co1 N1 2.058(3) .
Co1 O6 2.136(3) 2_667
Co1 O7 2.200(3) 2_667
O1 C1 1.261(5) .
N1 C38 1.329(5) .
N1 C23 1.348(5) .
C1 O2 1.258(4) .
C1 C2 1.507(5) .
Co2 O4 2.002(3) 1_565
Co2 O2 2.030(3) .
Co2 O3 2.032(3) .
Co2 N4 2.100(4) 1_666
Co2 O8 2.206(3) 2_656
N2 C26 1.453(5) .
N2 C27 1.455(5) .
N2 C30 1.478(5) .
C2 C8 1.369(6) .
C2 C3 1.391(5) .
O3 H3A 0.8500 .
O3 H3B 0.8500 .
N3 C29 1.453(5) .
N3 C28 1.459(5) .
N3 C31 1.467(5) .
C3 C4 1.400(5) .
C3 H3 0.9300 .
O4 C6 1.239(5) .
O4 Co2 2.002(3) 1_545
N4 C35 1.327(5) .
N4 C34 1.343(5) .
N4 Co2 2.100(4) 1_444
C4 C5 1.383(6) .
C4 C16 1.494(5) .
O5 C6 1.272(4) .
O5 Co1 2.000(3) 1_545
C5 C7 1.381(5) .
C5 C6 1.505(5) .
O6 C13 1.267(5) .
O6 Co1 2.136(3) 2_667
O7 C13 1.260(5) .
O7 Co1 2.200(3) 2_667
C7 C8 1.396(5) .
C7 H7 0.9300 .
O8 C20 1.266(5) .
O8 Co2 2.206(3) 2_656
C8 C9 1.487(5) .
O9 C20 1.241(5) .
C9 C15 1.379(5) .
C9 C10 1.380(5) .
C10 C11 1.380(6) .
C10 H10 0.9300 .
C11 C12 1.386(6) .
C11 H11 0.9300 .
C12 C14 1.380(5) .
C12 C13 1.479(6) .
C14 C15 1.373(5) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C22 1.377(5) .
C16 C17 1.385(5) .
C17 C18 1.408(5) .
C17 H17 0.9300 .
C18 C19 1.367(6) .
C18 H18 0.9300 .
C19 C21 1.378(6) .
C19 C20 1.511(6) .
C21 C22 1.365(5) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.378(6) .
C23 H23 0.9300 .
C24 C25 1.366(6) .
C24 H24 0.9300 .
C25 C37 1.379(5) .
C25 C26 1.514(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.500(5) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.516(5) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.499(6) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C36 1.364(6) .
C32 C33 1.374(5) .
C33 C34 1.366(6) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.373(6) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C38 1.365(5) .
C37 H37 0.9300 .
C38 H38 0.9300 .
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
O5 Co1 O1 C1 34.6(5) 1_565
N1 Co1 O1 C1 150.4(4) .
O6 Co1 O1 C1 -42.7(4) 2_667
O7 Co1 O1 C1 -99.3(4) 2_667
O1 Co1 N1 C38 -150.8(3) .
O5 Co1 N1 C38 2.5(4) 1_565
O6 Co1 N1 C38 117.5(6) 2_667
O7 Co1 N1 C38 96.7(3) 2_667
O1 Co1 N1 C23 24.5(3) .
O5 Co1 N1 C23 177.9(3) 1_565
O6 Co1 N1 C23 -67.2(7) 2_667
O7 Co1 N1 C23 -88.0(3) 2_667
Co1 O1 C1 O2 0.1(7) .
Co1 O1 C1 C2 -176.6(3) .
O1 C1 O2 Co2 -15.3(7) .
C2 C1 O2 Co2 161.5(3) .
O4 Co2 O2 C1 22.8(5) 1_565
O3 Co2 O2 C1 -130.3(4) .
N4 Co2 O2 C1 137.7(4) 1_666
O8 Co2 O2 C1 -43.7(4) 2_656
O2 C1 C2 C8 50.8(6) .
O1 C1 C2 C8 -132.1(5) .
O2 C1 C2 C3 -127.1(4) .
O1 C1 C2 C3 50.0(6) .
C8 C2 C3 C4 -0.1(7) .
C1 C2 C3 C4 177.8(4) .
C2 C3 C4 C5 -2.2(6) .
C2 C3 C4 C16 176.1(4) .
C3 C4 C5 C7 1.7(6) .
C16 C4 C5 C7 -176.5(4) .
C3 C4 C5 C6 176.7(4) .
C16 C4 C5 C6 -1.5(7) .
Co2 O4 C6 O5 -3.7(7) 1_545
Co2 O4 C6 C5 173.0(3) 1_545
Co1 O5 C6 O4 19.0(7) 1_545
Co1 O5 C6 C5 -157.6(3) 1_545
C7 C5 C6 O4 -49.8(5) .
C4 C5 C6 O4 135.0(5) .
C7 C5 C6 O5 127.2(4) .
C4 C5 C6 O5 -48.0(6) .
C4 C5 C7 C8 1.1(6) .
C6 C5 C7 C8 -174.4(4) .
C3 C2 C8 C7 2.8(6) .
C1 C2 C8 C7 -174.9(4) .
C3 C2 C8 C9 -172.0(4) .
C1 C2 C8 C9 10.2(7) .
C5 C7 C8 C2 -3.4(6) .
C5 C7 C8 C9 171.7(4) .
C2 C8 C9 C15 43.2(6) .
C7 C8 C9 C15 -131.5(4) .
C2 C8 C9 C10 -142.7(4) .
C7 C8 C9 C10 42.6(6) .
C15 C9 C10 C11 -1.2(7) .
C8 C9 C10 C11 -175.4(4) .
C9 C10 C11 C12 3.1(7) .
C10 C11 C12 C14 -2.3(7) .
C10 C11 C12 C13 175.0(4) .
Co1 O7 C13 O6 4.4(4) 2_667
Co1 O7 C13 C12 -177.5(4) 2_667
Co1 O6 C13 O7 -4.6(4) 2_667
Co1 O6 C13 C12 177.2(3) 2_667
C14 C12 C13 O7 -157.9(4) .
C11 C12 C13 O7 24.8(7) .
C14 C12 C13 O6 20.2(6) .
C11 C12 C13 O6 -157.1(4) .
C11 C12 C14 C15 -0.2(7) .
C13 C12 C14 C15 -177.6(4) .
C12 C14 C15 C9 2.1(7) .
C10 C9 C15 C14 -1.4(6) .
C8 C9 C15 C14 173.1(4) .
C5 C4 C16 C22 138.1(5) .
C3 C4 C16 C22 -40.0(6) .
C5 C4 C16 C17 -41.5(7) .
C3 C4 C16 C17 140.3(4) .
C22 C16 C17 C18 -0.3(7) .
C4 C16 C17 C18 179.3(4) .
C16 C17 C18 C19 -1.9(7) .
C17 C18 C19 C21 2.4(7) .
C17 C18 C19 C20 -173.4(4) .
Co2 O8 C20 O9 16.4(7) 2_656
Co2 O8 C20 C19 -164.3(3) 2_656
C18 C19 C20 O9 162.9(5) .
C21 C19 C20 O9 -12.9(7) .
C18 C19 C20 O8 -16.5(7) .
C21 C19 C20 O8 167.8(5) .
C18 C19 C21 C22 -0.7(8) .
C20 C19 C21 C22 175.2(5) .
C19 C21 C22 C16 -1.5(8) .
C17 C16 C22 C21 2.0(7) .
C4 C16 C22 C21 -177.6(5) .
C38 N1 C23 C24 0.8(7) .
Co1 N1 C23 C24 -174.8(4) .
N1 C23 C24 C25 -1.1(8) .
C23 C24 C25 C37 1.6(8) .
C23 C24 C25 C26 -177.6(5) .
C27 N2 C26 C25 -68.5(6) .
C30 N2 C26 C25 173.4(4) .
C24 C25 C26 N2 -28.1(7) .
C37 C25 C26 N2 152.7(4) .
C26 N2 C27 C28 -176.6(4) .
C30 N2 C27 C28 -58.1(5) .
C29 N3 C28 C27 -59.5(5) .
C31 N3 C28 C27 178.5(4) .
N2 C27 C28 N3 60.5(6) .
C28 N3 C29 C30 59.0(5) .
C31 N3 C29 C30 179.8(4) .
C26 N2 C30 C29 178.0(4) .
C27 N2 C30 C29 58.4(5) .
N3 C29 C30 N2 -60.4(6) .
C29 N3 C31 C32 81.0(5) .
C28 N3 C31 C32 -159.4(4) .
N3 C31 C32 C36 11.7(7) .
N3 C31 C32 C33 -171.7(4) .
C36 C32 C33 C34 1.1(7) .
C31 C32 C33 C34 -175.8(4) .
C35 N4 C34 C33 -1.4(7) .
Co2 N4 C34 C33 -179.1(3) 1_444
C32 C33 C34 N4 0.2(7) .
C34 N4 C35 C36 1.3(7) .
Co2 N4 C35 C36 178.9(4) 1_444
C33 C32 C36 C35 -1.2(7) .
C31 C32 C36 C35 175.4(5) .
N4 C35 C36 C32 0.0(8) .
C24 C25 C37 C38 -1.9(7) .
C26 C25 C37 C38 177.4(4) .
C23 N1 C38 C37 -1.1(7) .
Co1 N1 C38 C37 174.5(3) .
C25 C37 C38 N1 1.7(7) .
