#------------------------------------------------------------------------------
#$Date: 2016-05-06 02:55:03 +0200 (vie 06 de may de 2016) $
#$Revision: 182650 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/47/7224774.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_7224774
loop_
_publ_author_name
'Meng, Xiang-min'
'Fan, Chuan-bin'
'Bi, Cai-feng'
'Zong, Zi-ao'
'Zhang, Xia'
'Fan, Yu-hua'
_publ_section_title
;
 Syntheses, structural diversity and photocatalytic properties of various
 Co(ii) coordination polymers based on a “V”-shaped
 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole
 bridging ligands
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              2901
_journal_paper_doi               10.1039/C5CE02473K
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety
'C27 H19 Co N2 O4, 0.18(C6 H14), 0.64(C3 H7 N O), 0.359(O), 0.35'
_chemical_formula_sum            'C30 H26 Co N3 O5'
_chemical_formula_weight         567.45
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-03-10 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.715(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.805(3)
_cell_length_b                   9.3810(9)
_cell_length_c                   24.923(2)
_cell_measurement_reflns_used    2721
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.601
_cell_measurement_theta_min      2.36
_cell_volume                     5905.4(10)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0802
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            14379
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    0.622
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2351.9
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.639
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     374
_refine_ls_number_reflns         5210
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1123
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1068P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1627
_refine_ls_wR_factor_ref         0.1935
_reflns_number_gt                3121
_reflns_number_total             5210
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02473k2.cif
_cod_data_source_block           151021h
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 7224771--7224774.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7224774
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.73297(2) 0.64693(7) 0.53005(3) 0.0347(2) Uani 1 1 d . . .
N1 N 0.6326(7) 0.332(2) 0.5358(7) 0.053(3) Uani 0.700(16) 1 d PU A 1
N2 N 0.69688(14) 0.4744(4) 0.54612(19) 0.0480(11) Uani 1 1 d . . .
N1' N 0.6320(18) 0.336(6) 0.5536(17) 0.053(3) Uani 0.300(16) 1 d P A 2
N3 N 0.6566(6) 0.8971(14) 0.2483(6) 0.171(5) Uani 0.640(4) 1 d PDU B 1
N4 N 0.5000 0.5924(15) 0.2500 0.171(5) Uani 0.719(7) 2 d SPD . 2
O1 O 0.66563(12) 0.7641(4) 0.48580(15) 0.0492(9) Uani 1 1 d . . .
O2 O 0.69190(12) 0.9286(4) 0.43853(15) 0.0515(9) Uani 1 1 d . . .
O3 O 0.72148(14) 0.5690(5) 0.44820(16) 0.0667(11) Uani 1 1 d . . .
O4 O 0.74791(13) 0.7263(4) 0.39892(15) 0.0608(10) Uani 1 1 d . . .
O5 O 0.6095(5) 0.7834(14) 0.1755(5) 0.178(4) Uani 0.640(4) 1 d PDU B 1
O6 O 0.5000 0.3695(16) 0.2500 0.178(4) Uani 0.719(7) 2 d SPD . 2
C1 C 0.65781(18) 0.8697(6) 0.4527(2) 0.0401(12) Uani 1 1 d . A .
C2 C 0.60306(16) 0.9342(5) 0.4281(2) 0.0378(11) Uani 1 1 d . . .
C3 C 0.56357(18) 0.8681(5) 0.4384(2) 0.0474(13) Uani 1 1 d . A .
H3 H 0.5706 0.7822 0.4588 0.057 Uiso 1 1 calc R . .
C4 C 0.51369(17) 0.9271(6) 0.4187(2) 0.0484(13) Uani 1 1 d . . .
H4 H 0.4874 0.8797 0.4256 0.058 Uiso 1 1 calc R A .
C5 C 0.50216(17) 1.0571(5) 0.38876(19) 0.0401(11) Uani 1 1 d . A .
C6 C 0.54179(19) 1.1205(6) 0.3765(2) 0.0514(14) Uani 1 1 d . . .
H6 H 0.5349 1.2050 0.3551 0.062 Uiso 1 1 calc R A .
C7 C 0.59147(18) 1.0581(6) 0.3961(2) 0.0490(13) Uani 1 1 d . A .
H7 H 0.6174 1.1013 0.3874 0.059 Uiso 1 1 calc R . .
C8 C 0.72555(19) 0.6120(6) 0.4026(2) 0.0500(14) Uani 1 1 d . A .
C9 C 0.69992(18) 0.5222(6) 0.3482(2) 0.0460(13) Uani 1 1 d . . .
C10 C 0.6682(2) 0.4089(6) 0.3469(2) 0.0593(15) Uani 1 1 d . A .
H10 H 0.6639 0.3850 0.3808 0.071 Uiso 1 1 calc R . .
C11 C 0.6428(2) 0.3303(6) 0.2965(2) 0.0603(16) Uani 1 1 d . . .
H11 H 0.6208 0.2556 0.2966 0.072 Uiso 1 1 calc R A .
C12 C 0.64918(18) 0.3602(6) 0.2451(2) 0.0469(13) Uani 1 1 d . . .
C13 C 0.6806(2) 0.4754(7) 0.2469(2) 0.0673(17) Uani 1 1 d . . .
H13 H 0.6846 0.5006 0.2129 0.081 Uiso 1 1 calc R A .
C14 C 0.7063(2) 0.5542(7) 0.2975(2) 0.0658(17) Uani 1 1 d . A .
H14 H 0.7281 0.6294 0.2976 0.079 Uiso 1 1 calc R . .
C15 C 0.45020(17) 1.1256(5) 0.3733(2) 0.0401(12) Uani 1 1 d . . .
C16 C 0.42576(17) 1.2081(6) 0.3232(2) 0.0431(12) Uani 1 1 d . A .
H16 H 0.4424 1.2200 0.2980 0.052 Uiso 1 1 calc R . .
C17 C 0.37722(18) 1.2739(6) 0.3093(2) 0.0462(13) Uani 1 1 d . . .
C18 C 0.35308(18) 1.2563(6) 0.3480(2) 0.0535(14) Uani 1 1 d . A .
H18 H 0.3207 1.2999 0.3398 0.064 Uiso 1 1 calc R . .
C19 C 0.37682(19) 1.1745(6) 0.3982(2) 0.0530(14) Uani 1 1 d . . .
H19 H 0.3603 1.1624 0.4236 0.064 Uiso 1 1 calc R A .
C20 C 0.42519(19) 1.1105(6) 0.4109(2) 0.0482(13) Uani 1 1 d . A .
H20 H 0.4412 1.0565 0.4451 0.058 Uiso 1 1 calc R . .
C21 C 0.6471(2) 0.4652(6) 0.5360(2) 0.0535(14) Uani 1 1 d . A .
H21 H 0.6247 0.5430 0.5297 0.064 Uiso 1 1 calc R C 1
C22 C 0.7129(4) 0.3334(11) 0.5479(7) 0.074(4) Uani 0.700(16) 1 d PU A 1
H22 H 0.7458 0.3044 0.5504 0.089 Uiso 0.700(16) 1 calc PR A 1
C23 C 0.6738(4) 0.2448(12) 0.5456(7) 0.085(4) Uani 0.700(16) 1 d PU A 1
H23 H 0.6751 0.1462 0.5498 0.102 Uiso 0.700(16) 1 calc PR A 1
C22' C 0.7178(11) 0.367(3) 0.5819(16) 0.074(4) Uani 0.300(16) 1 d P A 2
H22' H 0.7539 0.3554 0.6043 0.089 Uiso 0.300(16) 1 calc PR A 2
C23' C 0.6818(11) 0.279(3) 0.5825(17) 0.085(4) Uani 0.300(16) 1 d P A 2
H23' H 0.6889 0.1894 0.6002 0.102 Uiso 0.300(16) 1 calc PR A 2
C24 C 0.5808(2) 0.2788(7) 0.5322(3) 0.079(2) Uani 1 1 d . . .
H24A H 0.5859 0.2394 0.5702 0.095 Uiso 1 1 calc R A 1
H24B H 0.5684 0.2026 0.5033 0.095 Uiso 1 1 calc R A 1
C25 C 0.5388(2) 0.3938(7) 0.5153(3) 0.0662(17) Uani 1 1 d . A .
C26 C 0.5110(3) 0.4332(8) 0.4575(3) 0.0778(19) Uani 1 1 d . . .
H26 H 0.5178 0.3886 0.4281 0.093 Uiso 1 1 calc R A .
C27 C 0.5272(3) 0.4614(8) 0.5575(3) 0.0773(19) Uani 1 1 d . . .
H27 H 0.5453 0.4355 0.5970 0.093 Uiso 1 1 calc R A .
C28 C 0.6528(7) 0.8506(18) 0.1971(7) 0.184(6) Uani 0.640(4) 1 d PDU B 1
H28 H 0.6766 0.8641 0.1803 0.220 Uiso 0.640(4) 1 calc PR B 1
C29 C 0.6159(7) 0.850(2) 0.2678(9) 0.265(9) Uani 0.640(4) 1 d PDU B 1
H29A H 0.6140 0.9167 0.2961 0.398 Uiso 0.640(4) 1 calc PR B 1
H29B H 0.6250 0.7575 0.2857 0.398 Uiso 0.640(4) 1 calc PR B 1
H29C H 0.5822 0.8453 0.2344 0.398 Uiso 0.640(4) 1 calc PR B 1
C30 C 0.6985(6) 0.9831(19) 0.2903(7) 0.197(7) Uani 0.640(4) 1 d PDU B 1
H30A H 0.7226 0.9233 0.3211 0.296 Uiso 0.640(4) 1 calc PR B 1
H30B H 0.6836 1.0530 0.3071 0.296 Uiso 0.640(4) 1 calc PR B 1
H30C H 0.7173 1.0304 0.2706 0.296 Uiso 0.640(4) 1 calc PR B 1
C31 C 0.5111(7) 0.4743(16) 0.2823(6) 0.184(6) Uani 0.360(4) 1 d PD . 2
H31 H 0.5217 0.4700 0.3242 0.220 Uiso 0.360(4) 1 d PR B 2
C32 C 0.4777(12) 0.589(3) 0.1856(4) 0.265(9) Uani 0.360(4) 1 d PD . 2
H32A H 0.4745 0.4902 0.1741 0.398 Uiso 0.360(4) 1 d PR B 2
H32B H 0.4442 0.6353 0.1654 0.398 Uiso 0.360(4) 1 d PR B 2
H32C H 0.5038 0.6339 0.1755 0.398 Uiso 0.360(4) 1 d PR B 2
C33 C 0.5106(7) 0.7319(18) 0.2783(8) 0.197(7) Uani 0.360(4) 1 d PD . 2
H33A H 0.5212 0.7230 0.3201 0.296 Uiso 0.360(4) 1 d PR B 2
H33B H 0.5374 0.7823 0.2712 0.296 Uiso 0.360(4) 1 d PR B 2
H33C H 0.4779 0.7836 0.2611 0.296 Uiso 0.360(4) 1 d PR B 2
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
O4 Co1 O2 90.92(14) 7_666 7_666
O4 Co1 N2 105.57(17) 7_666 .
O2 Co1 N2 99.19(15) 7_666 .
O4 Co1 O1 90.14(14) 7_666 .
O2 Co1 O1 163.09(14) 7_666 .
N2 Co1 O1 96.77(15) . .
O4 Co1 O3 162.75(17) 7_666 .
O2 Co1 O3 88.09(15) 7_666 .
N2 Co1 O3 91.58(17) . .
O1 Co1 O3 85.92(15) . .
O4 Co1 Co1 92.17(12) 7_666 7_666
O2 Co1 Co1 85.67(10) 7_666 7_666
N2 Co1 Co1 161.44(13) . 7_666
O1 Co1 Co1 77.43(10) . 7_666
O3 Co1 Co1 70.58(12) . 7_666
C21 N1 C23 110.0(12) . .
C21 N1 C24 127.2(14) . .
C23 N1 C24 122.5(14) . .
C21 N2 C22' 102.4(12) . .
C21 N2 C22 104.1(5) . .
C22' N2 C22 37.0(12) . .
C21 N2 Co1 126.0(4) . .
C22' N2 Co1 129.2(13) . .
C22 N2 Co1 125.9(5) . .
C23' N1' C24 134(4) . .
C23' N1' C21 97(3) . .
C24 N1' C21 127(4) . .
C28 N3 C30 127.3(12) . .
C28 N3 C29 117.4(11) . .
C30 N3 C29 115.2(9) . .
C31 N4 C31 66.8(13) 2_655 .
C31 N4 C33 172.6(11) 2_655 .
C31 N4 C33 120.5(9) . .
C31 N4 C33 120.5(9) 2_655 2_655
C31 N4 C33 172.6(11) . 2_655
C33 N4 C33 52.2(15) . 2_655
C31 N4 C32 55.2(12) 2_655 .
C31 N4 C32 122.0(11) . .
C33 N4 C32 117.5(9) . .
C33 N4 C32 65.3(14) 2_655 .
C31 N4 C32 122.0(11) 2_655 2_655
C31 N4 C32 55.2(12) . 2_655
C33 N4 C32 65.3(14) . 2_655
C33 N4 C32 117.5(9) 2_655 2_655
C32 N4 C32 177.2(18) . 2_655
C1 O1 Co1 130.4(3) . .
C1 O2 Co1 120.6(3) . 7_666
C8 O3 Co1 138.3(4) . .
C8 O4 Co1 113.3(3) . 7_666
C31 O6 C31 73.3(14) . 2_655
O1 C1 O2 125.8(4) . .
O1 C1 C2 117.0(4) . .
O2 C1 C2 117.2(4) . .
C7 C2 C3 118.6(4) . .
C7 C2 C1 121.9(4) . .
C3 C2 C1 119.4(4) . .
C2 C3 C4 121.0(5) . .
C2 C3 H3 119.5 . .
C4 C3 H3 119.5 . .
C3 C4 C5 120.8(4) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C6 C5 C4 117.7(4) . .
C6 C5 C15 122.3(4) . .
C4 C5 C15 120.0(4) . .
C7 C6 C5 120.3(5) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C2 C7 C6 121.4(4) . .
C2 C7 H7 119.3 . .
C6 C7 H7 119.3 . .
O3 C8 O4 124.9(5) . .
O3 C8 C9 116.7(5) . .
O4 C8 C9 118.3(5) . .
C10 C9 C14 118.2(4) . .
C10 C9 C8 121.0(5) . .
C14 C9 C8 120.7(5) . .
C11 C10 C9 121.3(5) . .
C11 C10 H10 119.3 . .
C9 C10 H10 119.3 . .
C10 C11 C12 121.2(5) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C13 C12 C11 116.8(5) . .
C13 C12 C17 121.5(5) . 2_645
C11 C12 C17 121.7(4) . 2_645
C14 C13 C12 122.0(5) . .
C14 C13 H13 119.0 . .
C12 C13 H13 119.0 . .
C13 C14 C9 120.4(5) . .
C13 C14 H14 119.8 . .
C9 C14 H14 119.8 . .
C16 C15 C20 118.1(4) . .
C16 C15 C5 122.4(4) . .
C20 C15 C5 119.4(4) . .
C15 C16 C17 122.3(4) . .
C15 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C16 C17 C18 118.1(4) . .
C16 C17 C12 121.9(4) . 2_665
C18 C17 C12 119.9(4) . 2_665
C19 C18 C17 120.5(4) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 C20 120.0(4) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C15 121.0(4) . .
C19 C20 H20 119.5 . .
C15 C20 H20 119.5 . .
N2 C21 N1 111.3(9) . .
N2 C21 N1' 115(2) . .
N1 C21 N1' 18.7(18) . .
N2 C21 C22' 38.9(8) . .
N1 C21 C22' 78.1(11) . .
N1' C21 C22' 77(2) . .
N2 C21 H21 124.3 . .
N1 C21 H21 124.3 . .
N1' C21 H21 117.4 . .
C22' C21 H21 150.7 . .
C23 C22 N2 110.0(8) . .
C23 C22 H22 125.0 . .
N2 C22 H22 125.0 . .
N1 C23 C22 104.1(11) . .
N1 C23 H23 127.9 . .
C22 C23 H23 127.9 . .
C23' C22' N2 112(2) . .
C23' C22' C21 74.3(17) . .
N2 C22' C21 38.7(8) . .
C23' C22' H22' 124.1 . .
N2 C22' H22' 124.1 . .
C21 C22' H22' 159.9 . .
C22' C23' N1' 111(3) . .
C22' C23' H23' 124.6 . .
N1' C23' H23' 124.6 . .
N1' C24 N1 17.6(16) . .
N1' C24 C25 112(2) . .
N1 C24 C25 113.1(9) . .
N1' C24 H24A 93.7 . .
N1 C24 H24A 109.0 . .
C25 C24 H24A 109.0 . .
N1' C24 H24B 123.6 . .
N1 C24 H24B 109.0 . .
C25 C24 H24B 109.0 . .
H24A C24 H24B 107.8 . .
C26 C25 C27 117.9(6) . .
C26 C25 C24 121.1(7) . .
C27 C25 C24 120.9(7) . .
C25 C26 C27 120.7(7) . 5_666
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 5_666 .
C25 C27 C26 121.4(7) . 5_666
C25 C27 H27 119.3 . .
C26 C27 H27 119.3 5_666 .
O5 C28 N3 104.8(12) . .
O5 C28 H28 127.6 . .
N3 C28 H28 127.6 . .
N3 C29 H29A 109.5 . .
N3 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N3 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N3 C30 H30A 109.5 . .
N3 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N3 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O6 C31 C32 177.5(12) . 2_655
O6 C31 N4 109.9(13) . .
C32 C31 N4 67.6(8) 2_655 .
O6 C31 C31 53.3(7) . 2_655
C32 C31 C31 124.2(7) 2_655 2_655
N4 C31 C31 56.6(7) . 2_655
O6 C31 H31 124.0 . .
C32 C31 H31 58.5 2_655 .
N4 C31 H31 125.6 . .
C31 C31 H31 173.3 2_655 .
C31 C32 N4 57.3(8) 2_655 .
C31 C32 C33 114.5(11) 2_655 2_655
N4 C32 C33 57.3(9) . 2_655
C31 C32 H32A 50.0 2_655 .
N4 C32 H32A 107.2 . .
C33 C32 H32A 164.5 2_655 .
C31 C32 H32B 129.1 2_655 .
N4 C32 H32B 116.0 . .
C33 C32 H32B 80.4 2_655 .
H32A C32 H32B 109.5 . .
C31 C32 H32C 121.1 2_655 .
N4 C32 H32C 104.9 . .
C33 C32 H32C 76.9 2_655 .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C33 C33 N4 63.9(8) 2_655 .
C33 C33 C32 121.2(6) 2_655 2_655
N4 C33 C32 57.4(7) . 2_655
C33 C33 H33A 170.2 2_655 .
N4 C33 H33A 110.8 . .
C32 C33 H33A 53.8 2_655 .
C33 C33 H33B 80.4 2_655 .
N4 C33 H33B 111.6 . .
C32 C33 H33B 122.4 2_655 .
H33A C33 H33B 109.5 . .
C33 C33 H33C 66.0 2_655 .
N4 C33 H33C 105.9 . .
C32 C33 H33C 128.1 2_655 .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O4 2.011(4) 7_666
Co1 O2 2.028(3) 7_666
Co1 N2 2.031(4) .
Co1 O1 2.050(3) .
Co1 O3 2.062(4) .
Co1 Co1 2.8401(12) 7_666
N1 C21 1.314(19) .
N1 C23 1.34(2) .
N1 C24 1.492(16) .
N2 C21 1.301(6) .
N2 C22' 1.31(3) .
N2 C22 1.390(12) .
N1' C23' 1.38(5) .
N1' C24 1.40(5) .
N1' C21 1.41(5) .
N3 C28 1.311(9) .
N3 C30 1.444(9) .
N3 C29 1.475(9) .
N4 C31 1.328(9) 2_655
N4 C31 1.328(9) .
N4 C33 1.457(9) .
N4 C33 1.457(9) 2_655
N4 C32 1.459(9) .
N4 C32 1.459(9) 2_655
O1 C1 1.249(6) .
O2 C1 1.269(5) .
O2 Co1 2.028(3) 7_666
O3 C8 1.255(6) .
O4 C8 1.262(6) .
O4 Co1 2.011(4) 7_666
O5 C28 1.263(9) .
O6 C31 1.225(10) .
O6 C31 1.225(10) 2_655
C1 C2 1.510(6) .
C2 C7 1.369(7) .
C2 C3 1.375(6) .
C3 C4 1.379(6) .
C3 H3 0.9300 .
C4 C5 1.396(7) .
C4 H4 0.9300 .
C5 C6 1.394(6) .
C5 C15 1.478(6) .
C6 C7 1.387(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.499(7) .
C9 C10 1.372(7) .
C9 C14 1.381(7) .
C10 C11 1.370(7) .
C10 H10 0.9300 .
C11 C12 1.394(7) .
C11 H11 0.9300 .
C12 C13 1.379(7) .
C12 C17 1.483(6) 2_645
C13 C14 1.376(7) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.382(6) .
C15 C20 1.387(6) .
C16 C17 1.390(6) .
C16 H16 0.9300 .
C17 C18 1.396(6) .
C17 C12 1.483(6) 2_665
C18 C19 1.379(7) .
C18 H18 0.9300 .
C19 C20 1.383(6) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22' 2.03(3) .
C21 H21 0.9300 .
C22 C23 1.351(14) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C22' C23' 1.30(4) .
C22' H22' 0.9300 .
C23' H23' 0.9300 .
C24 C25 1.514(8) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.369(9) .
C25 C27 1.379(9) .
C26 C27 1.381(9) 5_666
C26 H26 0.9300 .
C27 C26 1.381(9) 5_666
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.30(3) 2_655
C31 C31 1.46(3) 2_655
C31 H31 0.9598 .
C32 C31 1.30(3) 2_655
C32 C33 1.57(3) 2_655
C32 H32A 0.9600 .
C32 H32B 0.9601 .
C32 H32C 0.9601 .
C33 C33 1.28(4) 2_655
C33 C32 1.57(3) 2_655
C33 H33A 0.9602 .
C33 H33B 0.9600 .
C33 H33C 0.9599 .
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
O4 Co1 N2 C21 84.2(5) 7_666 .
O2 Co1 N2 C21 177.7(4) 7_666 .
O1 Co1 N2 C21 -7.9(5) . .
O3 Co1 N2 C21 -94.0(5) . .
Co1 Co1 N2 C21 -78.3(6) 7_666 .
O4 Co1 N2 C22' -74.9(19) 7_666 .
O2 Co1 N2 C22' 18.6(19) 7_666 .
O1 Co1 N2 C22' -167.0(19) . .
O3 Co1 N2 C22' 107.0(19) . .
Co1 Co1 N2 C22' 122.6(19) 7_666 .
O4 Co1 N2 C22 -122.0(8) 7_666 .
O2 Co1 N2 C22 -28.4(8) 7_666 .
O1 Co1 N2 C22 146.0(8) . .
O3 Co1 N2 C22 59.9(8) . .
Co1 Co1 N2 C22 75.6(9) 7_666 .
O4 Co1 O1 C1 91.4(4) 7_666 .
O2 Co1 O1 C1 -2.2(8) 7_666 .
N2 Co1 O1 C1 -162.9(4) . .
O3 Co1 O1 C1 -71.8(4) . .
Co1 Co1 O1 C1 -0.8(4) 7_666 .
O4 Co1 O3 C8 -4.6(9) 7_666 .
O2 Co1 O3 C8 -91.6(5) 7_666 .
N2 Co1 O3 C8 169.3(5) . .
O1 Co1 O3 C8 72.6(5) . .
Co1 Co1 O3 C8 -5.5(5) 7_666 .
Co1 O1 C1 O2 0.8(7) . .
Co1 O1 C1 C2 -178.3(3) . .
Co1 O2 C1 O1 -0.1(7) 7_666 .
Co1 O2 C1 C2 179.0(3) 7_666 .
O1 C1 C2 C7 173.6(5) . .
O2 C1 C2 C7 -5.6(7) . .
O1 C1 C2 C3 -5.8(7) . .
O2 C1 C2 C3 174.9(4) . .
C7 C2 C3 C4 -2.2(8) . .
C1 C2 C3 C4 177.2(4) . .
C2 C3 C4 C5 -1.1(8) . .
C3 C4 C5 C6 3.6(8) . .
C3 C4 C5 C15 -173.9(5) . .
C4 C5 C6 C7 -2.8(8) . .
C15 C5 C6 C7 174.6(5) . .
C3 C2 C7 C6 3.0(8) . .
C1 C2 C7 C6 -176.4(5) . .
C5 C6 C7 C2 -0.4(8) . .
Co1 O3 C8 O4 11.6(9) . .
Co1 O3 C8 C9 -166.0(3) . .
Co1 O4 C8 O3 -9.4(7) 7_666 .
Co1 O4 C8 C9 168.2(3) 7_666 .
O3 C8 C9 C10 7.8(8) . .
O4 C8 C9 C10 -169.9(5) . .
O3 C8 C9 C14 -174.2(5) . .
O4 C8 C9 C14 8.0(8) . .
C14 C9 C10 C11 -0.9(9) . .
C8 C9 C10 C11 177.0(5) . .
C9 C10 C11 C12 1.6(9) . .
C10 C11 C12 C13 -2.3(9) . .
C10 C11 C12 C17 178.7(5) . 2_645
C11 C12 C13 C14 2.5(9) . .
C17 C12 C13 C14 -178.5(6) 2_645 .
C12 C13 C14 C9 -2.0(10) . .
C10 C9 C14 C13 1.1(9) . .
C8 C9 C14 C13 -176.9(5) . .
C6 C5 C15 C16 34.5(8) . .
C4 C5 C15 C16 -148.1(5) . .
C6 C5 C15 C20 -143.8(5) . .
C4 C5 C15 C20 33.5(7) . .
C20 C15 C16 C17 -0.8(8) . .
C5 C15 C16 C17 -179.1(5) . .
C15 C16 C17 C18 0.6(8) . .
C15 C16 C17 C12 -178.9(5) . 2_665
C16 C17 C18 C19 -0.6(8) . .
C12 C17 C18 C19 179.0(5) 2_665 .
C17 C18 C19 C20 0.7(9) . .
C18 C19 C20 C15 -0.8(8) . .
C16 C15 C20 C19 0.9(8) . .
C5 C15 C20 C19 179.3(5) . .
C22' N2 C21 N1 -33.4(16) . .
C22 N2 C21 N1 4.6(9) . .
Co1 N2 C21 N1 163.0(7) . .
C22' N2 C21 N1' -14(2) . .
C22 N2 C21 N1' 24.5(18) . .
Co1 N2 C21 N1' -177.1(17) . .
C22 N2 C21 C22' 38.1(13) . .
Co1 N2 C21 C22' -163.5(17) . .
C23 N1 C21 N2 -0.7(12) . .
C24 N1 C21 N2 173.0(11) . .
C23 N1 C21 N1' -107(9) . .
C24 N1 C21 N1' 67(8) . .
C23 N1 C21 C22' -21.4(12) . .
C24 N1 C21 C22' 152.2(14) . .
C23' N1' C21 N2 8(3) . .
C24 N1' C21 N2 -158(2) . .
C23' N1' C21 N1 89(8) . .
C24 N1' C21 N1 -76(8) . .
C23' N1' C21 C22' -1(2) . .
C24 N1' C21 C22' -167(3) . .
C21 N2 C22 C23 -7.0(11) . .
C22' N2 C22 C23 85(2) . .
Co1 N2 C22 C23 -165.5(7) . .
C21 N1 C23 C22 -3.7(13) . .
C24 N1 C23 C22 -177.7(11) . .
N2 C22 C23 N1 6.6(13) . .
C21 N2 C22' C23' 14(2) . .
C22 N2 C22' C23' -83(3) . .
Co1 N2 C22' C23' 177.1(16) . .
C22 N2 C22' C21 -97(2) . .
Co1 N2 C22' C21 162.8(16) . .
N2 C21 C22' C23' -166(2) . .
N1 C21 C22' C23' -17.8(16) . .
N1' C21 C22' C23' 1(2) . .
N1 C21 C22' N2 148.4(14) . .
N1' C21 C22' N2 167(2) . .
N2 C22' C23' N1' -11(4) . .
C21 C22' C23' N1' -1(2) . .
C24 N1' C23' C22' 166(3) . .
C21 N1' C23' C22' 2(3) . .
C23' N1' C24 N1 -95(10) . .
C21 N1' C24 N1 65(8) . .
C23' N1' C24 C25 168(3) . .
C21 N1' C24 C25 -32(3) . .
C21 N1 C24 N1' -78(9) . .
C23 N1 C24 N1' 95(9) . .
C21 N1 C24 C25 12.5(17) . .
C23 N1 C24 C25 -174.6(10) . .
N1' C24 C25 C26 100.2(15) . .
N1 C24 C25 C26 81.1(10) . .
N1' C24 C25 C27 -80.3(15) . .
N1 C24 C25 C27 -99.4(9) . .
C27 C25 C26 C27 0.7(10) . 5_666
C24 C25 C26 C27 -179.8(5) . 5_666
C26 C25 C27 C26 -0.7(10) . 5_666
C24 C25 C27 C26 179.8(5) . 5_666
C30 N3 C28 O5 -178.6(15) . .
C29 N3 C28 O5 6(2) . .
C31 O6 C31 C32 -4(14) 2_655 2_655
C31 O6 C31 N4 0.000(4) 2_655 .
C31 N4 C31 O6 0.000(4) 2_655 .
C33 N4 C31 O6 -178.9(6) . .
C33 N4 C31 O6 173(4) 2_655 .
C32 N4 C31 O6 0.2(6) . .
C32 N4 C31 O6 -179.8(6) 2_655 .
C31 N4 C31 C32 179.8(6) 2_655 2_655
C33 N4 C31 C32 0.9(9) . 2_655
C33 N4 C31 C32 -8(4) 2_655 2_655
C32 N4 C31 C32 179.99(2) . 2_655
C33 N4 C31 C31 -178.9(6) . 2_655
C33 N4 C31 C31 173(4) 2_655 2_655
C32 N4 C31 C31 0.2(6) . 2_655
C32 N4 C31 C31 -179.8(6) 2_655 2_655
C31 N4 C32 C31 -0.2(7) . 2_655
C33 N4 C32 C31 178.9(6) . 2_655
C33 N4 C32 C31 -179.1(8) 2_655 2_655
C32 N4 C32 C31 -0.1(4) 2_655 2_655
C31 N4 C32 C33 179.1(8) 2_655 2_655
C31 N4 C32 C33 178.9(6) . 2_655
C33 N4 C32 C33 -2.0(12) . 2_655
C32 N4 C32 C33 179.0(6) 2_655 2_655
C31 N4 C33 C33 9(5) 2_655 2_655
C31 N4 C33 C33 -178.6(8) . 2_655
C32 N4 C33 C33 2.3(14) . 2_655
C32 N4 C33 C33 -177.8(14) 2_655 2_655
C31 N4 C33 C32 -173(4) 2_655 2_655
C31 N4 C33 C32 -0.8(8) . 2_655
C33 N4 C33 C32 177.8(14) 2_655 2_655
C32 N4 C33 C32 -179.95(5) . 2_655
