#------------------------------------------------------------------------------
#$Date: 2021-05-20 12:56:01 +0300 (Thu, 20 May 2021) $
#$Revision: 265376 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/27/1562740.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_1562740
loop_
_publ_author_name
'He, Jiang-Hong'
'Xiao, Dong-Rong'
'Chen, Hai-Yan'
'Sun, Dian-Zhen'
'Yan, Shi-Wei'
'Wang, Xin'
'Ye, Zhong-Li'
'Luo, Qun-Li'
'Wang, En-Bo'
_publ_section_title
;
 A series of 2D metal--quinolone complexes: Syntheses, structures, and
 physical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              279
_journal_page_last               288
_journal_paper_doi               10.1016/j.jssc.2012.10.015
_journal_volume                  198
_journal_year                    2013
_chemical_formula_sum            'C32 H32 Co2 F N3 O15'
_chemical_formula_weight         835.47
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                105.7400(10)
_cell_angle_beta                 96.3320(10)
_cell_angle_gamma                110.8130(10)
_cell_formula_units_Z            2
_cell_length_a                   10.3777(8)
_cell_length_b                   12.7188(10)
_cell_length_c                   14.1234(18)
_cell_measurement_reflns_used    13051
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      1.54
_cell_volume                     1632.3(3)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker APEX 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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0762
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13051
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    1.103
_exptl_absorpt_correction_T_max  0.7475
_exptl_absorpt_correction_T_min  0.6856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         6501
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0459
_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)+(0.0450P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                4469
_reflns_number_total             6501
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2013-198-270.CIF
_cod_data_source_block           compound-5
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562740
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
Co1 Co 0.21627(5) -0.20758(4) -0.02366(3) 0.02259(14) Uani 1 1 d . . .
Co2 Co -0.01491(5) -0.11980(4) -0.09137(3) 0.02127(14) Uani 1 1 d . . .
C1 C -0.1053(4) 0.0674(3) -0.1321(2) 0.0227(8) Uani 1 1 d . . .
C2 C -0.1216(4) 0.0077(3) -0.2418(2) 0.0245(8) Uani 1 1 d . . .
C3 C -0.0648(4) -0.0773(3) -0.2821(2) 0.0218(8) Uani 1 1 d . . .
C4 C -0.0897(4) -0.1217(3) -0.3917(2) 0.0263(9) Uani 1 1 d . . .
C5 C -0.0387(4) -0.2063(4) -0.4373(3) 0.0364(10) Uani 1 1 d . . .
H5A H 0.0160 -0.2296 -0.3976 0.044 Uiso 1 1 calc R . .
C6 C -0.0686(5) -0.2538(4) -0.5384(3) 0.0408(11) Uani 1 1 d . . .
C7 C -0.1491(4) -0.2231(4) -0.6038(3) 0.0355(10) Uani 1 1 d . . .
C8 C -0.1977(4) -0.1371(3) -0.5594(3) 0.0337(10) Uani 1 1 d . . .
H8A H -0.2495 -0.1123 -0.5998 0.040 Uiso 1 1 calc R . .
C9 C -0.1688(4) -0.0876(3) -0.4541(3) 0.0271(9) Uani 1 1 d . A .
C10 C -0.1991(4) 0.0365(4) -0.3075(3) 0.0384(11) Uani 1 1 d . A .
H10A H -0.2379 0.0901 -0.2797 0.046 Uiso 1 1 calc R . .
C11 C -0.2795(15) 0.0502(10) -0.4743(6) 0.040(3) Uani 0.543(15) 1 d PU A 1
H11A H -0.2152 0.0697 -0.5179 0.048 Uiso 0.543(15) 1 calc PR A 1
H11B H -0.3702 -0.0085 -0.5174 0.048 Uiso 0.543(15) 1 calc PR A 1
C11A C -0.3551(14) 0.0017(11) -0.4661(7) 0.035(3) Uani 0.457(15) 1 d PU A 2
H11C H -0.4036 -0.0674 -0.5267 0.041 Uiso 0.457(15) 1 calc PR A 2
H11D H -0.4213 0.0079 -0.4236 0.041 Uiso 0.457(15) 1 calc PR A 2
C12 C -0.2984(11) 0.1602(9) -0.4202(9) 0.061(4) Uani 0.543(15) 1 d PU A 1
H12A H -0.3332 0.1898 -0.4687 0.092 Uiso 0.543(15) 1 calc PR A 1
H12B H -0.2090 0.2199 -0.3783 0.092 Uiso 0.543(15) 1 calc PR A 1
H12C H -0.3650 0.1417 -0.3789 0.092 Uiso 0.543(15) 1 calc PR A 1
C12A C -0.2907(14) 0.1141(13) -0.4917(14) 0.073(5) Uani 0.457(15) 1 d PU A 2
H12D H -0.3641 0.1266 -0.5286 0.110 Uiso 0.457(15) 1 calc PR A 2
H12E H -0.2241 0.1064 -0.5323 0.110 Uiso 0.457(15) 1 calc PR A 2
H12F H -0.2430 0.1809 -0.4305 0.110 Uiso 0.457(15) 1 calc PR A 2
C13 C -0.2344(5) -0.2234(4) -0.7711(3) 0.0433(11) Uani 1 1 d . . .
H13A H -0.1793 -0.1379 -0.7484 0.052 Uiso 1 1 calc R . .
H13B H -0.3300 -0.2369 -0.7630 0.052 Uiso 1 1 calc R . .
C14 C -0.2383(5) -0.2763(4) -0.8814(3) 0.0588(15) Uani 1 1 d . . .
H14A H -0.2838 -0.2427 -0.9214 0.071 Uiso 1 1 calc R . .
H14B H -0.1425 -0.2575 -0.8909 0.071 Uiso 1 1 calc R . .
C15 C -0.2513(6) -0.4620(5) -0.8536(3) 0.0745(17) Uani 1 1 d . . .
H15A H -0.1554 -0.4466 -0.8617 0.089 Uiso 1 1 calc R . .
H15B H -0.3052 -0.5477 -0.8766 0.089 Uiso 1 1 calc R . .
C16 C -0.2493(6) -0.4089(4) -0.7444(3) 0.0590(14) Uani 1 1 d . . .
H16A H -0.3457 -0.4300 -0.7359 0.071 Uiso 1 1 calc R . .
H16B H -0.2029 -0.4415 -0.7039 0.071 Uiso 1 1 calc R . .
C17 C -0.4412(3) -0.2562(3) -0.2530(2) 0.0215(8) Uani 1 1 d . . .
C18 C -0.5780(4) -0.2612(3) -0.2775(2) 0.0235(8) Uani 1 1 d . . .
C19 C -0.6566(4) -0.3177(3) -0.3778(2) 0.0262(9) Uani 1 1 d . . .
H19A H -0.7490 -0.3238 -0.3929 0.031 Uiso 1 1 calc R . .
C20 C -0.6004(4) -0.3645(3) -0.4549(2) 0.0247(8) Uani 1 1 d . . .
C21 C -0.4626(4) -0.3556(3) -0.4300(3) 0.0255(8) Uani 1 1 d . . .
H21A H -0.4213 -0.3842 -0.4806 0.031 Uiso 1 1 calc R . .
C22 C -0.3864(4) -0.3044(3) -0.3304(2) 0.0259(8) Uani 1 1 d . . .
H22A H -0.2958 -0.3023 -0.3151 0.031 Uiso 1 1 calc R . .
C23 C -0.6837(4) -0.4247(3) -0.5621(2) 0.0243(8) Uani 1 1 d . . .
C24 C -0.8232(4) -0.5073(3) -0.5866(3) 0.0317(9) Uani 1 1 d . . .
H24A H -0.8683 -0.5220 -0.5353 0.038 Uiso 1 1 calc R . .
C25 C -0.8958(4) -0.5684(3) -0.6869(3) 0.0311(9) Uani 1 1 d . . .
H25A H -0.9885 -0.6245 -0.7017 0.037 Uiso 1 1 calc R . .
C26 C -0.8332(4) -0.5473(3) -0.7648(2) 0.0241(8) Uani 1 1 d . . .
C27 C -0.6951(4) -0.4604(3) -0.7416(3) 0.0253(8) Uani 1 1 d . . .
C28 C -0.6225(4) -0.4023(3) -0.6409(2) 0.0251(8) Uani 1 1 d . . .
H28A H -0.5296 -0.3464 -0.6259 0.030 Uiso 1 1 calc R . .
C29 C -0.3475(4) -0.1941(3) -0.1472(3) 0.0252(8) Uani 1 1 d . . .
C30 C -0.6485(4) -0.2067(3) -0.2016(3) 0.0244(8) Uani 1 1 d . . .
C31 C -0.9175(4) -0.6119(3) -0.8732(3) 0.0277(9) Uani 1 1 d . . .
C32 C -0.6197(4) -0.4285(4) -0.8223(3) 0.0389(11) Uani 1 1 d . . .
N1 N -0.3176(4) -0.4072(4) -0.9148(2) 0.0616(13) Uani 1 1 d . . .
H1A H -0.3195 -0.4390 -0.9804 0.074 Uiso 1 1 calc R . .
H1B H -0.4075 -0.4241 -0.9086 0.074 Uiso 1 1 calc R . .
N2 N -0.1725(4) -0.2757(3) -0.7087(2) 0.0407(9) Uani 1 1 d . . .
N3 N -0.2236(4) -0.0061(3) -0.4081(2) 0.0451(10) Uani 1 1 d . . .
O1 O 0.0013(3) -0.1181(2) -0.23164(17) 0.0311(6) Uani 1 1 d . . .
OW4 O -0.5462(6) 0.0726(5) -0.2944(3) 0.0880(15) Uani 1 1 d . . .
O2 O -0.0261(2) 0.0500(2) -0.06751(16) 0.0238(6) Uani 1 1 d . . .
O3 O -0.1693(3) 0.1336(2) -0.10960(17) 0.0322(6) Uani 1 1 d . . .
O4 O -0.3896(3) -0.1349(2) -0.08116(18) 0.0415(8) Uani 1 1 d . . .
O5 O -0.2311(2) -0.2031(2) -0.13345(18) 0.0330(7) Uani 1 1 d . . .
O6 O -0.7117(3) -0.2671(2) -0.15128(17) 0.0287(6) Uani 1 1 d . . .
O7 O -0.6420(3) -0.1047(2) -0.19724(19) 0.0390(7) Uani 1 1 d . . .
O8 O -1.0078(2) -0.7199(2) -0.89348(16) 0.0229(6) Uani 1 1 d . . .
O9 O -0.9044(3) -0.5587(3) -0.9337(2) 0.0641(11) Uani 1 1 d . . .
O10 O -0.5884(4) -0.5051(3) -0.8782(2) 0.0636(10) Uani 1 1 d . . .
O11 O -0.5885(3) -0.3256(3) -0.8242(2) 0.0643(10) Uani 1 1 d . . .
OW1 O 0.2135(4) -0.3463(3) 0.0217(2) 0.0385(8) Uani 1 1 d . . .
OW3 O 0.4333(3) -0.1191(3) 0.0503(2) 0.0351(7) Uani 1 1 d . . .
OW2 O 0.2110(3) -0.0574(2) -0.0639(2) 0.0241(6) Uani 1 1 d . . .
F1 F -0.0149(3) -0.3346(3) -0.57978(17) 0.0685(9) Uani 1 1 d . . .
HW2A H 0.247(5) -0.064(4) -0.110(4) 0.062(18) Uiso 1 1 d . . .
HW2B H 0.263(5) 0.007(4) -0.022(3) 0.051(15) Uiso 1 1 d . . .
HW1B H 0.267(5) -0.333(4) 0.073(3) 0.056(16) Uiso 1 1 d . . .
HW1A H 0.138(5) -0.405(5) 0.013(4) 0.08(2) Uiso 1 1 d . . .
HW3B H 0.467(6) -0.050(5) 0.084(4) 0.09(2) Uiso 1 1 d . . .
HW3A H 0.487(5) -0.132(4) 0.008(4) 0.073(18) Uiso 1 1 d . . .
HW4A H -0.496(5) 0.141(4) -0.258(4) 0.055(17) Uiso 1 1 d . . .
HW4B H -0.563(9) 0.018(8) -0.263(6) 0.18(4) Uiso 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'
F F 0.0171 0.0103 '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
OW1 Co1 O3 89.45(11) . 2
OW1 Co1 O8 99.21(13) . 2_444
O3 Co1 O8 93.98(9) 2 2_444
OW1 Co1 O6 92.30(11) . 1_655
O3 Co1 O6 173.17(10) 2 1_655
O8 Co1 O6 92.25(9) 2_444 1_655
OW1 Co1 OW3 87.42(14) . .
O3 Co1 OW3 88.46(12) 2 .
O8 Co1 OW3 172.94(11) 2_444 .
O6 Co1 OW3 85.03(11) 1_655 .
OW1 Co1 OW2 175.94(12) . .
O3 Co1 OW2 86.70(11) 2 .
O8 Co1 OW2 79.81(9) 2_444 .
O6 Co1 OW2 91.67(11) 1_655 .
OW3 Co1 OW2 93.73(11) . .
O1 Co2 O5 92.60(10) . .
O1 Co2 O8 96.81(10) . 2_444
O5 Co2 O8 92.74(10) . 2_444
O1 Co2 O2 156.70(10) . 2
O5 Co2 O2 103.28(9) . 2
O8 Co2 O2 99.30(9) 2_444 2
O1 Co2 O2 85.24(9) . .
O5 Co2 O2 90.38(10) . .
O8 Co2 O2 176.18(8) 2_444 .
O2 Co2 O2 77.82(10) 2 .
O1 Co2 OW2 83.25(11) . .
O5 Co2 OW2 170.99(11) . .
O8 Co2 OW2 79.87(10) 2_444 .
O2 Co2 OW2 83.14(10) 2 .
O2 Co2 OW2 97.21(10) . .
O3 C1 O2 124.1(3) . .
O3 C1 C2 116.8(3) . .
O2 C1 C2 119.1(3) . .
C10 C2 C3 118.6(3) . .
C10 C2 C1 116.5(3) . .
C3 C2 C1 124.9(3) . .
O1 C3 C2 126.0(3) . .
O1 C3 C4 118.2(3) . .
C2 C3 C4 115.8(3) . .
C9 C4 C5 118.1(3) . .
C9 C4 C3 122.5(3) . .
C5 C4 C3 119.4(3) . .
C6 C5 C4 120.1(4) . .
C6 C5 H5A 120.0 . .
C4 C5 H5A 120.0 . .
C5 C6 F1 118.1(4) . .
C5 C6 C7 123.7(4) . .
F1 C6 C7 118.2(3) . .
C8 C7 C6 116.8(3) . .
C8 C7 N2 123.4(4) . .
C6 C7 N2 119.7(4) . .
C7 C8 C9 120.2(4) . .
C7 C8 H8A 119.9 . .
C9 C8 H8A 119.9 . .
C4 C9 N3 117.9(3) . .
C4 C9 C8 121.1(3) . .
N3 C9 C8 121.0(3) . .
N3 C10 C2 125.3(4) . .
N3 C10 H10A 117.3 . .
C2 C10 H10A 117.3 . .
C12 C11 N3 115.7(7) . .
C12 C11 H11A 108.3 . .
N3 C11 H11A 108.3 . .
C12 C11 H11B 108.3 . .
N3 C11 H11B 108.3 . .
H11A C11 H11B 107.4 . .
C12A C11A N3 103.0(10) . .
C12A C11A H11C 111.2 . .
N3 C11A H11C 111.2 . .
C12A C11A H11D 111.2 . .
N3 C11A H11D 111.2 . .
H11C C11A H11D 109.1 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11A C12A H12D 109.5 . .
C11A C12A H12E 109.5 . .
H12D C12A H12E 109.5 . .
C11A C12A H12F 109.5 . .
H12D C12A H12F 109.5 . .
H12E C12A H12F 109.5 . .
N2 C13 C14 111.6(4) . .
N2 C13 H13A 109.3 . .
C14 C13 H13A 109.3 . .
N2 C13 H13B 109.3 . .
C14 C13 H13B 109.3 . .
H13A C13 H13B 108.0 . .
N1 C14 C13 109.2(3) . .
N1 C14 H14A 109.8 . .
C13 C14 H14A 109.8 . .
N1 C14 H14B 109.8 . .
C13 C14 H14B 109.8 . .
H14A C14 H14B 108.3 . .
N1 C15 C16 109.0(4) . .
N1 C15 H15A 109.9 . .
C16 C15 H15A 109.9 . .
N1 C15 H15B 109.9 . .
C16 C15 H15B 109.9 . .
H15A C15 H15B 108.3 . .
N2 C16 C15 110.8(4) . .
N2 C16 H16A 109.5 . .
C15 C16 H16A 109.5 . .
N2 C16 H16B 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
C22 C17 C18 118.1(3) . .
C22 C17 C29 118.7(3) . .
C18 C17 C29 123.1(3) . .
C17 C18 C19 119.6(3) . .
C17 C18 C30 123.9(3) . .
C19 C18 C30 116.5(3) . .
C20 C19 C18 121.9(3) . .
C20 C19 H19A 119.1 . .
C18 C19 H19A 119.1 . .
C19 C20 C21 117.9(3) . .
C19 C20 C23 122.1(3) . .
C21 C20 C23 120.0(3) . .
C22 C21 C20 120.5(3) . .
C22 C21 H21A 119.7 . .
C20 C21 H21A 119.7 . .
C17 C22 C21 121.8(3) . .
C17 C22 H22A 119.1 . .
C21 C22 H22A 119.1 . .
C28 C23 C24 117.7(3) . .
C28 C23 C20 120.8(3) . .
C24 C23 C20 121.5(3) . .
C23 C24 C25 120.7(3) . .
C23 C24 H24A 119.7 . .
C25 C24 H24A 119.7 . .
C26 C25 C24 121.2(3) . .
C26 C25 H25A 119.4 . .
C24 C25 H25A 119.4 . .
C25 C26 C27 118.9(3) . .
C25 C26 C31 119.8(3) . .
C27 C26 C31 121.1(3) . .
C28 C27 C26 119.1(3) . .
C28 C27 C32 118.4(3) . .
C26 C27 C32 122.5(3) . .
C23 C28 C27 122.3(3) . .
C23 C28 H28A 118.9 . .
C27 C28 H28A 118.9 . .
O4 C29 O5 125.0(3) . .
O4 C29 C17 118.0(3) . .
O5 C29 C17 116.9(3) . .
O6 C30 O7 125.4(3) . .
O6 C30 C18 118.2(3) . .
O7 C30 C18 116.3(3) . .
O9 C31 O8 123.7(3) . .
O9 C31 C26 119.8(3) . .
O8 C31 C26 116.4(3) . .
O11 C32 O10 125.1(4) . .
O11 C32 C27 117.0(4) . .
O10 C32 C27 117.8(4) . .
C14 N1 C15 111.3(4) . .
C14 N1 H1A 109.4 . .
C15 N1 H1A 109.4 . .
C14 N1 H1B 109.4 . .
C15 N1 H1B 109.4 . .
H1A N1 H1B 108.0 . .
C7 N2 C13 116.1(3) . .
C7 N2 C16 113.0(3) . .
C13 N2 C16 111.3(3) . .
C10 N3 C9 119.9(3) . .
C10 N3 C11 122.0(5) . .
C9 N3 C11 116.7(5) . .
C10 N3 C11A 115.1(5) . .
C9 N3 C11A 121.2(4) . .
C11 N3 C11A 32.2(4) . .
C3 O1 Co2 124.2(2) . .
HW4A OW4 HW4B 115(6) . .
C1 O2 Co2 127.7(2) . 2
C1 O2 Co2 121.8(2) . .
Co2 O2 Co2 102.18(10) 2 .
C1 O3 Co1 132.4(2) . 2
C29 O5 Co2 148.1(3) . .
C30 O6 Co1 127.4(2) . 1_455
C31 O8 Co1 125.8(2) . 2_444
C31 O8 Co2 132.6(2) . 2_444
Co1 O8 Co2 97.78(9) 2_444 2_444
Co1 OW1 HW1B 118(3) . .
Co1 OW1 HW1A 122(4) . .
HW1B OW1 HW1A 111(5) . .
Co1 OW3 HW3B 121(4) . .
Co1 OW3 HW3A 111(3) . .
HW3B OW3 HW3A 109(5) . .
Co2 OW2 Co1 94.19(11) . .
Co2 OW2 HW2A 119(3) . .
Co1 OW2 HW2A 99(4) . .
Co2 OW2 HW2B 122(3) . .
Co1 OW2 HW2B 114(3) . .
HW2A OW2 HW2B 106(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 OW1 2.027(3) .
Co1 O3 2.057(2) 2
Co1 O8 2.083(2) 2_444
Co1 O6 2.083(2) 1_655
Co1 OW3 2.115(3) .
Co1 OW2 2.152(3) .
Co2 O1 2.012(2) .
Co2 O5 2.045(2) .
Co2 O8 2.092(2) 2_444
Co2 O2 2.108(2) 2
Co2 O2 2.140(2) .
Co2 OW2 2.142(3) .
C1 O3 1.246(4) .
C1 O2 1.277(4) .
C1 C2 1.489(4) .
C2 C10 1.367(5) .
C2 C3 1.425(5) .
C3 O1 1.263(4) .
C3 C4 1.455(4) .
C4 C9 1.393(5) .
C4 C5 1.399(5) .
C5 C6 1.341(5) .
C5 H5A 0.9300 .
C6 F1 1.365(4) .
C6 C7 1.401(5) .
C7 C8 1.391(5) .
C7 N2 1.403(4) .
C8 C9 1.399(5) .
C8 H8A 0.9300 .
C9 N3 1.398(5) .
C10 N3 1.336(4) .
C10 H10A 0.9300 .
C11 C12 1.493(14) .
C11 N3 1.503(9) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11A C12A 1.51(2) .
C11A N3 1.560(10) .
C11A H11C 0.9700 .
C11A H11D 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C12A H12D 0.9600 .
C12A H12E 0.9600 .
C12A H12F 0.9600 .
C13 N2 1.459(5) .
C13 C14 1.510(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N1 1.478(6) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N1 1.497(7) .
C15 C16 1.500(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 N2 1.500(5) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C22 1.384(5) .
C17 C18 1.398(5) .
C17 C29 1.515(4) .
C18 C19 1.401(4) .
C18 C30 1.514(5) .
C19 C20 1.384(5) .
C19 H19A 0.9300 .
C20 C21 1.390(5) .
C20 C23 1.496(4) .
C21 C22 1.386(4) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C28 1.387(5) .
C23 C24 1.389(5) .
C24 C25 1.390(5) .
C24 H24A 0.9300 .
C25 C26 1.378(5) .
C25 H25A 0.9300 .
C26 C27 1.399(5) .
C26 C31 1.515(4) .
C27 C28 1.391(4) .
C27 C32 1.516(5) .
C28 H28A 0.9300 .
C29 O4 1.253(4) .
C29 O5 1.253(4) .
C30 O6 1.252(4) .
C30 O7 1.259(4) .
C31 O9 1.217(4) .
C31 O8 1.288(4) .
C32 O11 1.240(5) .
C32 O10 1.241(5) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
OW4 HW4A 0.81(5) .
OW4 HW4B 0.90(9) .
O2 Co2 2.108(2) 2
O3 Co1 2.057(2) 2
O6 Co1 2.083(2) 1_455
O8 Co1 2.083(2) 2_444
O8 Co2 2.092(2) 2_444
OW1 HW1B 0.80(4) .
OW1 HW1A 0.84(5) .
OW3 HW3B 0.80(6) .
OW3 HW3A 0.88(5) .
OW2 HW2A 0.78(5) .
OW2 HW2B 0.81(4) .
