#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:38:02 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179539 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/08/4500870.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_4500870
loop_
_publ_author_name
'Chu, Qian'
'Su, Zhi'
'Fan, Jian'
'Okamura, Taka-aki'
'Lv, Gao-Chao'
'Liu, Guang-Xiang'
'Sun, Wei-Yin'
'Ueyama, Norikazu'
_publ_section_title
;
 Novel Cobalt(II) Coordination Polymers Constructed from
 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands:
 Syntheses, Crystal Structures, and Magnetic Properties
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3885
_journal_paper_doi               10.1021/cg200416y
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C56 H54 Co3 N4 O26'
_chemical_formula_weight         1375.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.973(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.503(2)
_cell_length_b                   8.3507(12)
_cell_length_c                   25.517(4)
_cell_measurement_reflns_used    2079
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.14
_cell_measurement_theta_min      2.89
_cell_volume                     2814.7(7)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0832
_diffrn_reflns_av_sigmaI/netI    0.1029
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            13661
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.969
_exptl_absorpt_correction_T_max  0.9094
_exptl_absorpt_correction_T_min  0.7599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1414
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         5058
_refine_ls_number_restraints     83
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0578
_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)+(0.0396P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1223
_reflns_number_gt                3559
_reflns_number_total             5058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200416y_si_002.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2814.6(7)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4500870
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 -1.49363(4) 1.73029(7) 0.31056(2) 0.01997(18) Uani 1 1 d . . .
Co2 Co -0.5000 1.0000 0.5000 0.0236(2) Uani 1 2 d S . .
C1 C -1.4326(3) 1.3705(5) 0.29998(16) 0.0181(10) Uani 1 1 d . . .
C2 C -1.4287(3) 1.5270(6) 0.40618(16) 0.0250(11) Uani 1 1 d . . .
C3 C -1.3371(3) 1.3825(5) 0.34365(16) 0.0220(10) Uani 1 1 d . A .
C4 C -1.3342(3) 1.4630(5) 0.39091(17) 0.0249(11) Uani 1 1 d . . .
C5 C -1.2432(3) 1.4837(6) 0.42616(19) 0.0429(14) Uani 1 1 d . A .
H5A H -1.2415 1.5370 0.4583 0.052 Uiso 1 1 calc R . .
C6 C -1.1545(4) 1.4264(7) 0.4144(2) 0.0478(15) Uani 1 1 d . . .
C7 C -1.1574(4) 1.3453(6) 0.3677(2) 0.0383(13) Uani 1 1 d . A .
C8 C -1.2479(3) 1.3212(6) 0.33249(18) 0.0340(12) Uani 1 1 d . . .
H8A H -1.2496 1.2638 0.3011 0.041 Uiso 1 1 calc R A .
C10 C -0.9954(5) 1.1581(11) 0.4326(3) 0.059(3) Uani 0.726(4) 1 d P A 1
H10A H -1.0588 1.1318 0.4390 0.071 Uiso 0.726(4) 1 calc PR A 1
C10A C -0.9842(13) 1.244(2) 0.4838(9) 0.046(4) Uani 0.274(4) 1 d PU A 2
H10B H -1.0433 1.2247 0.4961 0.055 Uiso 0.274(4) 1 calc PR A 2
C11 C -0.9082(6) 1.1023(11) 0.4664(3) 0.050(2) Uani 0.726(4) 1 d P A 1
H11A H -0.9137 1.0352 0.4947 0.060 Uiso 0.726(4) 1 calc PR A 1
C11A C -0.8996(16) 1.148(3) 0.5010(10) 0.049(5) Uani 0.274(4) 1 d PU A 2
H11B H -0.8999 1.0696 0.5269 0.058 Uiso 0.274(4) 1 calc PR A 2
C12 C -0.8132(10) 1.1444(16) 0.4587(3) 0.034(3) Uani 0.726(4) 1 d P A 1
C12A C -0.812(3) 1.170(4) 0.4786(11) 0.035(5) Uani 0.274(4) 1 d PU A 2
C13 C -0.8065(5) 1.2466(9) 0.4163(3) 0.0309(18) Uani 0.726(4) 1 d P A 1
C13A C -0.8120(14) 1.288(3) 0.4455(9) 0.031(4) Uani 0.274(4) 1 d PU A 2
C14 C -0.8946(5) 1.2978(8) 0.3821(3) 0.0380(19) Uani 0.726(4) 1 d P A 1
H14A H -0.8903 1.3643 0.3535 0.046 Uiso 0.726(4) 1 calc PR A 1
C14A C -0.8953(12) 1.393(2) 0.4284(7) 0.036(4) Uani 0.274(4) 1 d PU A 2
H14B H -0.8931 1.4765 0.4045 0.044 Uiso 0.274(4) 1 calc PR A 2
C15 C -0.7200(4) 1.0713(6) 0.4952(2) 0.0358(12) Uani 1 1 d . . .
C16 C -0.7072(10) 1.300(2) 0.4041(6) 0.038(5) Uani 0.726(4) 1 d P A 1
C16A C -0.726(3) 1.320(6) 0.4171(17) 0.032(5) Uani 0.274(4) 1 d PU A 2
C17 C -1.3074(3) 1.7001(6) 0.25981(18) 0.0330(12) Uani 1 1 d . . .
H17A H -1.3532 1.6524 0.2319 0.040 Uiso 1 1 calc R . .
C18 C -1.2078(4) 1.7127(6) 0.2558(2) 0.0448(14) Uani 1 1 d . . .
H18A H -1.1871 1.6702 0.2262 0.054 Uiso 1 1 calc R . .
C19 C -1.1386(4) 1.7876(8) 0.2953(2) 0.0535(17) Uani 1 1 d . . .
C20 C -1.1736(4) 1.8425(8) 0.3390(2) 0.0614(18) Uani 1 1 d . . .
H20A H -1.1298 1.8925 0.3672 0.074 Uiso 1 1 calc R . .
C21 C -1.2739(4) 1.8226(6) 0.3407(2) 0.0418(14) Uani 1 1 d . . .
H21A H -1.2960 1.8599 0.3707 0.050 Uiso 1 1 calc R . .
C22 C -1.0280(4) 1.8078(9) 0.2921(2) 0.079(2) Uani 1 1 d . . .
H22A H -1.0189 1.7731 0.2571 0.095 Uiso 1 1 calc R . .
H22B H -1.0100 1.9202 0.2960 0.095 Uiso 1 1 calc R . .
C23 C -0.9624(4) 1.7180(8) 0.3325(3) 0.073(2) Uani 1 1 d . . .
H23A H -0.9847 1.6073 0.3304 0.087 Uiso 1 1 calc R . .
H23B H -0.9678 1.7590 0.3673 0.087 Uiso 1 1 calc R . .
C24 C -0.8513(4) 1.7235(7) 0.3278(2) 0.0488(15) Uani 1 1 d . . .
C25 C -0.8098(4) 1.6066(7) 0.3018(2) 0.0496(15) Uani 1 1 d . . .
H25A H -0.8501 1.5230 0.2854 0.060 Uiso 1 1 calc R . .
C26 C -0.7089(4) 1.6112(6) 0.2998(2) 0.0410(13) Uani 1 1 d . . .
H26A H -0.6827 1.5285 0.2824 0.049 Uiso 1 1 calc R . .
C27 C -0.7881(4) 1.8457(8) 0.3496(2) 0.0595(17) Uani 1 1 d . . .
H27A H -0.8128 1.9298 0.3670 0.071 Uiso 1 1 calc R . .
C28 C -0.6884(4) 1.8431(7) 0.3455(2) 0.0423(14) Uani 1 1 d . . .
H28A H -0.6471 1.9275 0.3605 0.051 Uiso 1 1 calc R . .
N1 N -1.3408(3) 1.7534(4) 0.30208(14) 0.0257(9) Uani 1 1 d . . .
N2 N -0.6474(3) 1.7276(5) 0.32147(14) 0.0265(9) Uani 1 1 d . . .
O1 O -1.4942(2) 1.4832(3) 0.29467(11) 0.0249(7) Uani 1 1 d . . .
O1W O -1.4911(2) 1.9769(4) 0.32603(12) 0.0315(8) Uani 1 1 d D . .
H1WA H -1.468(3) 2.042(4) 0.3073(12) 0.047 Uiso 1 1 d D . .
H1WB H -1.483(3) 2.013(5) 0.3566(7) 0.047 Uiso 1 1 d D . .
O2W O -0.4579(2) 1.0956(4) 0.42755(13) 0.0333(8) Uani 1 1 d D . .
H2WA H -0.4001(14) 1.060(4) 0.4337(19) 0.050 Uiso 1 1 d D . .
H2WB H -0.455(3) 1.1938(13) 0.425(2) 0.050 Uiso 1 1 d D . .
O2 O -1.4426(2) 1.2478(3) 0.27112(11) 0.0238(7) Uani 1 1 d . . .
O3 O -1.4533(2) 1.6699(4) 0.39394(11) 0.0298(8) Uani 1 1 d . . .
O3W O -0.5555(3) 0.7841(4) 0.46505(14) 0.0423(9) Uani 1 1 d D . .
H3WA H -0.522(3) 0.749(5) 0.4441(14) 0.063 Uiso 1 1 d D . .
H3WB H -0.556(4) 0.720(4) 0.4890(14) 0.063 Uiso 1 1 d D . .
O4 O -1.4742(2) 1.4376(4) 0.43160(13) 0.0404(9) Uani 1 1 d . . .
O5 O -1.0708(4) 1.3017(8) 0.3524(2) 0.0518(18) Uani 0.726(4) 1 d P A 1
H6A H -1.0902(10) 1.441(6) 0.439(4) 0.062 Uiso 0.726(4) 1 d PR A 1
C9 C -0.9873(5) 1.2521(9) 0.3900(3) 0.040(2) Uani 0.726(4) 1 d P A 1
O5A O -1.0595(9) 1.4799(16) 0.4409(8) 0.052(4) Uani 0.274(4) 1 d P A 2
H7A H -1.090(5) 1.32(2) 0.362(12) 0.063 Uiso 0.274(4) 1 d PR A 2
C9A C -0.9804(12) 1.363(2) 0.4495(8) 0.038(4) Uani 0.274(4) 1 d PU A 2
O6 O -0.6409(2) 1.0964(4) 0.47931(12) 0.0358(8) Uani 1 1 d . A .
O7 O -0.7291(3) 0.9887(5) 0.53394(15) 0.0646(12) Uani 1 1 d . A .
O8 O -0.6642(17) 1.415(2) 0.4426(9) 0.047(4) Uani 0.726(4) 1 d P A 1
O9 O -0.6733(7) 1.2533(17) 0.3675(4) 0.052(3) Uani 0.726(4) 1 d P A 1
O8A O -0.675(4) 1.447(6) 0.431(2) 0.033(7) Uani 0.274(4) 1 d PU A 2
O9A O -0.705(3) 1.257(5) 0.3788(13) 0.054(7) Uani 0.274(4) 1 d PU A 2
H8 H -0.617(5) 1.442(8) 0.437(3) 0.07(3) Uiso 1 1 d . . .
O5W O -0.806(3) 1.697(3) 0.4613(8) 0.89(3) Uani 1 1 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
O2 Co1 O1W 96.11(12) 2_255 .
O2 Co1 O1 83.80(11) 2_255 .
O1W Co1 O1 179.18(12) . .
O2 Co1 N1 95.72(12) 2_255 .
O1W Co1 N1 87.24(13) . .
O1 Co1 N1 91.95(12) . .
O2 Co1 O3 166.92(12) 2_255 .
O1W Co1 O3 93.06(12) . .
O1 Co1 O3 87.16(12) . .
N1 Co1 O3 94.02(13) . .
O2 Co1 N2 85.47(12) 2_255 1_455
O1W Co1 N2 87.96(14) . 1_455
O1 Co1 N2 92.84(13) . 1_455
N1 Co1 N2 175.16(15) . 1_455
O3 Co1 N2 85.55(12) . 1_455
O6 Co2 O6 180.000(1) . 3_476
O6 Co2 O3W 90.15(13) . 3_476
O6 Co2 O3W 89.85(13) 3_476 3_476
O6 Co2 O3W 89.85(13) . .
O6 Co2 O3W 90.15(13) 3_476 .
O3W Co2 O3W 180.000(1) 3_476 .
O6 Co2 O2W 88.33(12) . 3_476
O6 Co2 O2W 91.67(12) 3_476 3_476
O3W Co2 O2W 95.02(13) 3_476 3_476
O3W Co2 O2W 84.98(13) . 3_476
O6 Co2 O2W 91.67(12) . .
O6 Co2 O2W 88.33(12) 3_476 .
O3W Co2 O2W 84.98(13) 3_476 .
O3W Co2 O2W 95.02(13) . .
O2W Co2 O2W 180.000(1) 3_476 .
O1 C1 O2 124.5(4) . .
O1 C1 C3 118.4(4) . .
O2 C1 C3 117.1(4) . .
O4 C2 O3 124.7(4) . .
O4 C2 C4 117.5(4) . .
O3 C2 C4 117.7(4) . .
C4 C3 C8 119.4(4) . .
C4 C3 C1 122.7(4) . .
C8 C3 C1 117.6(4) . .
C3 C4 C5 119.7(4) . .
C3 C4 C2 121.9(4) . .
C5 C4 C2 118.4(4) . .
C4 C5 C6 120.8(5) . .
C4 C5 H5A 119.6 . .
C6 C5 H5A 119.6 . .
C7 C6 C5 119.5(5) . .
C7 C6 O5A 116.1(9) . .
C5 C6 O5A 122.4(9) . .
C7 C6 H6A 118.9 . .
C5 C6 H6A 121.6 . .
O5A C6 H6A 14.6 . .
O5 C7 C6 120.9(5) . .
O5 C7 C8 118.4(5) . .
C6 C7 C8 120.4(5) . .
C6 C7 H7A 113.0 . .
C8 C7 H7A 126.5 . .
C7 C8 C3 120.2(4) . .
C7 C8 H8A 119.9 . .
C3 C8 H8A 119.9 . .
C9 C10 C11 119.3(7) . .
C9 C10 H10A 120.3 . .
C11 C10 H10A 120.3 . .
C9A C10A C11A 119.8(19) . .
C9A C10A H10B 120.1 . .
C11A C10A H10B 120.1 . .
C12 C11 C10 121.3(8) . .
C12 C11 H11A 119.4 . .
C10 C11 H11A 119.4 . .
C10A C11A C12A 119(2) . .
C10A C11A H11B 120.3 . .
C12A C11A H11B 120.3 . .
C11 C12 C13 118.5(9) . .
C11 C12 C15 118.8(9) . .
C13 C12 C15 122.6(9) . .
C13A C12A C11A 118(3) . .
C13A C12A C15 119(3) . .
C11A C12A C15 122(3) . .
C14 C13 C12 119.4(8) . .
C14 C13 C16 117.6(8) . .
C12 C13 C16 123.0(9) . .
C12A C13A C14A 124(2) . .
C12A C13A C16A 123(3) . .
C14A C13A C16A 112(2) . .
C9 C14 C13 121.0(7) . .
C9 C14 H14A 119.5 . .
C13 C14 H14A 119.5 . .
C9A C14A C13A 115.9(18) . .
C9A C14A H14B 122.1 . .
C13A C14A H14B 122.1 . .
O7 C15 O6 126.4(5) . .
O7 C15 C12A 108.9(14) . .
O6 C15 C12A 123.0(15) . .
O7 C15 C12 120.5(6) . .
O6 C15 C12 112.9(6) . .
C12A C15 C12 21.0(11) . .
O9 C16 O8 126.8(15) . .
O9 C16 C13 124.8(14) . .
O8 C16 C13 108.4(13) . .
O9A C16A O8A 113(5) . .
O9A C16A C13A 130(5) . .
O8A C16A C13A 116(4) . .
N1 C17 C18 122.5(5) . .
N1 C17 H17A 118.8 . .
C18 C17 H17A 118.8 . .
C17 C18 C19 120.6(5) . .
C17 C18 H18A 119.7 . .
C19 C18 H18A 119.7 . .
C18 C19 C20 116.6(5) . .
C18 C19 C22 122.5(5) . .
C20 C19 C22 120.8(5) . .
C21 C20 C19 119.5(5) . .
C21 C20 H20A 120.3 . .
C19 C20 H20A 120.3 . .
N1 C21 C20 123.7(5) . .
N1 C21 H21A 118.2 . .
C20 C21 H21A 118.2 . .
C23 C22 C19 111.9(5) . .
C23 C22 H22A 109.2 . .
C19 C22 H22A 109.2 . .
C23 C22 H22B 109.2 . .
C19 C22 H22B 109.2 . .
H22A C22 H22B 107.9 . .
C22 C23 C24 113.6(5) . .
C22 C23 H23A 108.8 . .
C24 C23 H23A 108.8 . .
C22 C23 H23B 108.8 . .
C24 C23 H23B 108.8 . .
H23A C23 H23B 107.7 . .
C25 C24 C27 116.5(5) . .
C25 C24 C23 121.6(5) . .
C27 C24 C23 121.9(5) . .
C24 C25 C26 120.5(5) . .
C24 C25 H25A 119.7 . .
C26 C25 H25A 119.7 . .
N2 C26 C25 123.2(5) . .
N2 C26 H26A 118.4 . .
C25 C26 H26A 118.4 . .
C24 C27 C28 119.7(5) . .
C24 C27 H27A 120.2 . .
C28 C27 H27A 120.2 . .
N2 C28 C27 123.8(5) . .
N2 C28 H28A 118.1 . .
C27 C28 H28A 118.1 . .
C21 N1 C17 117.1(4) . .
C21 N1 Co1 119.4(3) . .
C17 N1 Co1 123.5(3) . .
C26 N2 C28 116.2(4) . .
C26 N2 Co1 119.6(3) . 1_655
C28 N2 Co1 124.0(3) . 1_655
C1 O1 Co1 138.2(3) . .
Co1 O1W H1WA 122(3) . .
Co1 O1W H1WB 122(3) . .
H1WA O1W H1WB 108.5(18) . .
Co2 O2W H2WA 96(3) . .
Co2 O2W H2WB 116(4) . .
H2WA O2W H2WB 108.6(18) . .
C1 O2 Co1 128.0(3) . 2_245
C2 O3 Co1 117.9(3) . .
Co2 O3W H3WA 113(4) . .
Co2 O3W H3WB 108(4) . .
H3WA O3W H3WB 110.4(18) . .
C7 O5 C9 120.6(5) . .
C7 O5 H7A 20.1 . .
C14 C9 C10 120.5(6) . .
C14 C9 O5 117.1(6) . .
C10 C9 O5 122.4(6) . .
C6 O5A C9A 116.1(12) . .
C6 O5A H6A 27.7 . .
C9A O5A H6A 98.3 . .
C10A C9A C14A 122.4(17) . .
C10A C9A O5A 118.8(18) . .
C14A C9A O5A 118.1(18) . .
C10A C9A H6A 104.9 . .
C14A C9A H6A 132.6 . .
O5A C9A H6A 18.9 . .
C15 O6 Co2 132.4(3) . .
C16 O8 H8 110(6) . .
C16A O8A H8 119(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 2.088(3) 2_255
Co1 O1W 2.096(3) .
Co1 O1 2.102(3) .
Co1 N1 2.127(3) .
Co1 O3 2.144(3) .
Co1 N2 2.151(3) 1_455
Co2 O6 2.032(3) .
Co2 O6 2.032(3) 3_476
Co2 O3W 2.081(4) 3_476
Co2 O3W 2.081(4) .
Co2 O2W 2.194(3) 3_476
Co2 O2W 2.194(3) .
C1 O1 1.245(5) .
C1 O2 1.253(5) .
C1 C3 1.523(6) .
C2 O4 1.234(5) .
C2 O3 1.260(5) .
C2 C4 1.508(6) .
C3 C4 1.374(6) .
C3 C8 1.391(6) .
C4 C5 1.375(6) .
C5 C6 1.380(7) .
C5 H5A 0.9300 .
C6 C7 1.364(7) .
C6 O5A 1.394(12) .
C6 H6A 0.9637 .
C7 O5 1.357(6) .
C7 C8 1.373(6) .
C7 H7A 0.9767 .
C8 H8A 0.9300 .
C10 C9 1.364(9) .
C10 C11 1.388(10) .
C10 H10A 0.9300 .
C10A C9A 1.34(3) .
C10A C11A 1.39(3) .
C10A H10B 0.9300 .
C11 C12 1.382(14) .
C11 H11A 0.9300 .
C11A C12A 1.42(4) .
C11A H11B 0.9300 .
C12 C13 1.395(13) .
C12 C15 1.529(13) .
C12A C13A 1.30(4) .
C12A C15 1.48(4) .
C13 C14 1.389(9) .
C13 C16 1.505(14) .
C13A C14A 1.42(2) .
C13A C16A 1.51(4) .
C14 C9 1.362(9) .
C14 H14A 0.9300 .
C14A C9A 1.39(2) .
C14A H14B 0.9300 .
C15 O7 1.232(5) .
C15 O6 1.237(5) .
C16 O9 1.188(13) .
C16 O8 1.41(3) .
C16A O9A 1.20(5) .
C16A O8A 1.27(8) .
C17 N1 1.329(5) .
C17 C18 1.374(6) .
C17 H17A 0.9300 .
C18 C19 1.374(7) .
C18 H18A 0.9300 .
C19 C20 1.379(7) .
C19 C22 1.520(7) .
C20 C21 1.373(7) .
C20 H20A 0.9300 .
C21 N1 1.324(6) .
C21 H21A 0.9300 .
C22 C23 1.425(7) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.530(7) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.363(7) .
C24 C27 1.371(7) .
C25 C26 1.374(6) .
C25 H25A 0.9300 .
C26 N2 1.323(6) .
C26 H26A 0.9300 .
C27 C28 1.372(7) .
C27 H27A 0.9300 .
C28 N2 1.325(6) .
C28 H28A 0.9300 .
N2 Co1 2.151(3) 1_655
O1W H1WA 0.822(10) .
O1W H1WB 0.822(10) .
O2W H2WA 0.819(10) .
O2W H2WB 0.823(10) .
O2 Co1 2.088(3) 2_245
O3W H3WA 0.820(10) .
O3W H3WB 0.814(10) .
O5 C9 1.383(8) .
O5 H7A 0.4168 .
C9 H7A 1.5192 .
O5A C9A 1.43(2) .
O5A H6A 0.5212 .
C9A H6A 1.5887 .
O8 H8 0.72(6) .
O8A H8 0.77(9) .
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
O1 C1 C3 C4 31.1(6) . .
O2 C1 C3 C4 -150.2(4) . .
O1 C1 C3 C8 -143.0(4) . .
O2 C1 C3 C8 35.7(6) . .
C8 C3 C4 C5 0.8(7) . .
C1 C3 C4 C5 -173.2(4) . .
C8 C3 C4 C2 -177.8(4) . .
C1 C3 C4 C2 8.2(7) . .
O4 C2 C4 C3 89.6(5) . .
O3 C2 C4 C3 -93.2(5) . .
O4 C2 C4 C5 -89.0(6) . .
O3 C2 C4 C5 88.2(5) . .
C3 C4 C5 C6 0.8(8) . .
C2 C4 C5 C6 179.5(5) . .
C4 C5 C6 C7 -1.4(9) . .
C4 C5 C6 O5A 162.3(9) . .
C5 C6 C7 O5 173.2(5) . .
O5A C6 C7 O5 8.6(10) . .
C5 C6 C7 C8 0.2(9) . .
O5A C6 C7 C8 -164.5(8) . .
O5 C7 C8 C3 -171.8(5) . .
C6 C7 C8 C3 1.4(8) . .
C4 C3 C8 C7 -1.9(7) . .
C1 C3 C8 C7 172.4(4) . .
C9 C10 C11 C12 2.2(14) . .
C9A C10A C11A C12A -5(3) . .
C10 C11 C12 C13 0.8(15) . .
C10 C11 C12 C15 -176.5(8) . .
C10A C11A C12A C13A 5(4) . .
C10A C11A C12A C15 -180(2) . .
C11 C12 C13 C14 -2.4(14) . .
C15 C12 C13 C14 174.7(7) . .
C11 C12 C13 C16 -179.8(10) . .
C15 C12 C13 C16 -2.7(15) . .
C11A C12A C13A C14A -3(4) . .
C15 C12A C13A C14A -178.0(18) . .
C11A C12A C13A C16A -177(3) . .
C15 C12A C13A C16A 8(4) . .
C12 C13 C14 C9 1.2(12) . .
C16 C13 C14 C9 178.8(9) . .
C12A C13A C14A C9A 0(3) . .
C16A C13A C14A C9A 175(3) . .
C13A C12A C15 O7 167(2) . .
C11A C12A C15 O7 -8(3) . .
C13A C12A C15 O6 0(3) . .
C11A C12A C15 O6 -174.4(18) . .
C13A C12A C15 C12 -66(5) . .
C11A C12A C15 C12 119(6) . .
C11 C12 C15 O7 -6.9(12) . .
C13 C12 C15 O7 176.0(8) . .
C11 C12 C15 O6 168.9(7) . .
C13 C12 C15 O6 -8.3(12) . .
C11 C12 C15 C12A -68(5) . .
C13 C12 C15 C12A 115(6) . .
C14 C13 C16 O9 -70.9(18) . .
C12 C13 C16 O9 106.5(17) . .
C14 C13 C16 O8 107.7(12) . .
C12 C13 C16 O8 -74.8(14) . .
C12A C13A C16A O9A 78(6) . .
C14A C13A C16A O9A -97(5) . .
C12A C13A C16A O8A -112(4) . .
C14A C13A C16A O8A 73(4) . .
N1 C17 C18 C19 -2.4(8) . .
C17 C18 C19 C20 2.4(9) . .
C17 C18 C19 C22 -178.6(5) . .
C18 C19 C20 C21 -1.1(9) . .
C22 C19 C20 C21 179.9(6) . .
C19 C20 C21 N1 -0.3(9) . .
C18 C19 C22 C23 -113.8(7) . .
C20 C19 C22 C23 65.1(9) . .
C19 C22 C23 C24 175.1(6) . .
C22 C23 C24 C25 -95.4(8) . .
C22 C23 C24 C27 85.0(8) . .
C27 C24 C25 C26 2.1(8) . .
C23 C24 C25 C26 -177.6(5) . .
C24 C25 C26 N2 -1.2(8) . .
C25 C24 C27 C28 -1.4(9) . .
C23 C24 C27 C28 178.3(5) . .
C24 C27 C28 N2 -0.2(9) . .
C20 C21 N1 C17 0.4(8) . .
C20 C21 N1 Co1 179.7(4) . .
C18 C17 N1 C21 1.0(7) . .
C18 C17 N1 Co1 -178.3(4) . .
O2 Co1 N1 C21 148.6(4) 2_255 .
O1W Co1 N1 C21 52.7(4) . .
O1 Co1 N1 C21 -127.5(4) . .
O3 Co1 N1 C21 -40.2(4) . .
N2 Co1 N1 C21 44.6(18) 1_455 .
O2 Co1 N1 C17 -32.2(4) 2_255 .
O1W Co1 N1 C17 -128.1(4) . .
O1 Co1 N1 C17 51.8(4) . .
O3 Co1 N1 C17 139.1(4) . .
N2 Co1 N1 C17 -136.2(15) 1_455 .
C25 C26 N2 C28 -0.4(7) . .
C25 C26 N2 Co1 -175.4(4) . 1_655
C27 C28 N2 C26 1.1(8) . .
C27 C28 N2 Co1 175.9(4) . 1_655
O2 C1 O1 Co1 -153.0(3) . .
C3 C1 O1 Co1 25.6(6) . .
O2 Co1 O1 C1 124.0(4) 2_255 .
O1W Co1 O1 C1 40(9) . .
N1 Co1 O1 C1 28.4(4) . .
O3 Co1 O1 C1 -65.5(4) . .
N2 Co1 O1 C1 -150.9(4) 1_455 .
O1 C1 O2 Co1 34.9(6) . 2_245
C3 C1 O2 Co1 -143.7(3) . 2_245
O4 C2 O3 Co1 -118.4(4) . .
C4 C2 O3 Co1 64.5(4) . .
O2 Co1 O3 C2 56.7(7) 2_255 .
O1W Co1 O3 C2 -168.8(3) . .
O1 Co1 O3 C2 10.4(3) . .
N1 Co1 O3 C2 -81.3(3) . .
N2 Co1 O3 C2 103.5(3) 1_455 .
C6 C7 O5 C9 37.0(9) . .
C8 C7 O5 C9 -149.8(7) . .
C13 C14 C9 C10 1.8(12) . .
C13 C14 C9 O5 -176.7(7) . .
C11 C10 C9 C14 -3.5(13) . .
C11 C10 C9 O5 174.9(8) . .
C7 O5 C9 C14 -142.5(7) . .
C7 O5 C9 C10 39.1(11) . .
C7 C6 O5A C9A -50.6(19) . .
C5 C6 O5A C9A 145.3(14) . .
C11A C10A C9A C14A 2(3) . .
C11A C10A C9A O5A -167.3(18) . .
C13A C14A C9A C10A 0(3) . .
C13A C14A C9A O5A 169.7(16) . .
C6 O5A C9A C10A -68(2) . .
C6 O5A C9A C14A 121.5(17) . .
O7 C15 O6 Co2 9.0(8) . .
C12A C15 O6 Co2 172.7(13) . .
C12 C15 O6 Co2 -166.4(5) . .
O6 Co2 O6 C15 161(100) 3_476 .
O3W Co2 O6 C15 -110.8(4) 3_476 .
O3W Co2 O6 C15 69.2(4) . .
O2W Co2 O6 C15 -15.8(4) 3_476 .
O2W Co2 O6 C15 164.2(4) . .
