#------------------------------------------------------------------------------
#$Date: 2017-06-14 05:35:29 +0300 (Wed, 14 Jun 2017) $
#$Revision: 197794 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/33/7043319.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_7043319
loop_
_publ_author_name
'Liu, Zhi-Qiang'
'Zhao, Yue'
'Wang, Peng'
'Kang, Yan-Shang'
'Azam, Mohammad'
'Al-Resayes, Saud I'
'Liu, Xaio-Hui'
'Lu, Qingyi'
'Sun, Wei-Yin'
_publ_section_title
;
 Fluorescent sensing and selective adsorption properties of metal-organic
 frameworks with mixed tricarboxylate and 1H-imidazol-4-yl-containing
 ligands
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01759F
_journal_year                    2017
_chemical_formula_sum            'C66 H48 Co4 N4 O17'
_chemical_formula_weight         1404.80
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-06-12 deposited with the CCDC.
2017-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                114.224(4)
_cell_angle_beta                 102.313(4)
_cell_angle_gamma                100.882(4)
_cell_formula_units_Z            2
_cell_length_a                   15.082(3)
_cell_length_b                   16.887(3)
_cell_length_c                   17.338(3)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.7030
_cell_measurement_theta_min      2.2922
_cell_volume                     3740.4(12)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0726
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22686
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.292
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.861
_exptl_absorpt_correction_T_min  0.784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_description       block
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.160
_refine_diff_density_max         2.239
_refine_diff_density_min         -1.651
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         12806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0818
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1662P)²+13.0328P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2424
_refine_ls_wR_factor_ref         0.2520
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10608
_reflns_number_total             12806
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt01759f2.cif
_cod_data_source_block           1
_cod_original_cell_volume        3740.4(11)
_cod_database_code               7043319
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.793
_shelx_estimated_absorpt_t_max   0.865
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Co1 Co 0.85016(5) 0.16171(5) 0.81144(4) 0.0198(2) Uani 1 1 d . .
Co2 Co 1.07819(5) 0.11129(4) 0.88958(4) 0.0186(2) Uani 1 1 d . .
Co3 Co 1.26845(5) 0.25022(5) 0.88213(5) 0.0220(2) Uani 1 1 d . .
Co4 Co 1.03275(5) 0.15519(4) 0.73443(4) 0.0193(2) Uani 1 1 d . .
N1 N 1.1779(3) 0.0528(3) 0.9296(3) 0.0246(10) Uani 1 1 d . .
N2 N 1.2735(4) 0.0070(4) 1.0038(3) 0.0339(12) Uani 1 1 d . .
H2A H 1.3028 -0.0012 1.0469 0.041 Uiso 1 1 calc R U
N3 N 1.5119(4) -0.1444(4) 1.0750(4) 0.0416(13) Uani 1 1 d . .
H3 H 1.4722 -0.1173 1.0940 0.050 Uiso 1 1 calc R U
N4 N 1.6228(3) -0.2107(3) 1.0735(3) 0.0275(10) Uani 1 1 d . .
O1 O 0.9300(7) 0.3232(5) 0.9627(5) 0.095(3) Uani 1 1 d . .
O2 O 0.8148(4) 0.2061(4) 0.9235(3) 0.0563(14) Uani 1 1 d . .
O3 O 0.9805(3) 1.0088(2) 1.6624(2) 0.0232(8) Uani 1 1 d . .
O4 O 1.0044(3) 0.9853(2) 1.7830(2) 0.0243(8) Uani 1 1 d . .
O5 O 0.9041(3) 0.1547(3) 1.6637(3) 0.0292(9) Uani 1 1 d . .
O6 O 0.8231(3) 0.2317(3) 1.7434(3) 0.0285(9) Uani 1 1 d . .
O7 O 0.7601(4) 0.0386(3) 0.7278(3) 0.0504(13) Uani 1 1 d . .
O8 O 0.8082(4) 0.0064(4) 0.8380(4) 0.0586(14) Uani 1 1 d . .
O9 O 0.2571(3) -0.6713(3) -0.0019(2) 0.0296(9) Uani 1 1 d . .
O10 O 0.1403(3) -0.7667(3) 0.0073(2) 0.0305(9) Uani 1 1 d . .
O11 O 0.2887(3) -0.6665(3) 0.8299(3) 0.0356(10) Uani 1 1 d . .
O12 O 0.3254(4) -0.7827(3) 0.7381(3) 0.0471(12) Uani 1 1 d . .
O13 O 0.9884(2) 0.1758(2) 0.8448(2) 0.0189(7) Uani 1 1 d . .
H13A H 1.0191 0.2411 0.8863 0.023 Uiso 1 1 calc R U
O15 O 1.0881(3) 0.3022(3) 0.7862(3) 0.0377(10) Uani 1 1 d . .
H15A H 1.0767 0.3292 0.8347 0.057 Uiso 1 1 d R U
H15B H 1.1480 0.3175 0.7960 0.057 Uiso 1 1 d R U
O16 O 1.1534(2) 0.1462(2) 0.8093(2) 0.0202(7) Uani 1 1 d . .
H16A H 1.1701 0.0934 0.7717 0.024 Uiso 1 1 calc R U
O17 O 0.9843(3) 0.0779(3) 0.9558(3) 0.0341(9) Uani 1 1 d . .
H17A H 1.0155 0.0711 0.9985 0.051 Uiso 1 1 d R U
H17C H 0.9400 0.0284 0.9188 0.051 Uiso 1 1 d R U
C1 C 0.8719(5) 0.2800(5) 0.9817(4) 0.0449(17) Uani 1 1 d . .
C2 C 0.8683(5) 0.3170(4) 1.0754(4) 0.0339(13) Uani 1 1 d . .
C3 C 0.9335(6) 0.4003(4) 1.1415(4) 0.0456(17) Uani 1 1 d . .
H3A H 0.9790 0.4323 1.1273 0.055 Uiso 1 1 calc R U
C4 C 0.9310(5) 0.4358(4) 1.2283(4) 0.0404(15) Uani 1 1 d . .
H4 H 0.9758 0.4912 1.2719 0.048 Uiso 1 1 calc R U
C5 C 0.8631(4) 0.3906(4) 1.2516(3) 0.0237(11) Uani 1 1 d . .
C6 C 0.7987(5) 0.3085(5) 1.1849(4) 0.0468(18) Uani 1 1 d . .
H6 H 0.7531 0.2759 1.1985 0.056 Uiso 1 1 calc R U
C7 C 0.8006(6) 0.2737(5) 1.0977(4) 0.055(2) Uani 1 1 d . .
H7 H 0.7546 0.2194 1.0536 0.065 Uiso 1 1 calc R U
C8 C 0.8632(4) 0.4302(3) 1.3465(3) 0.0218(11) Uani 1 1 d . .
C9 C 0.8854(4) 0.5254(4) 1.3972(4) 0.0232(11) Uani 1 1 d . .
H9 H 0.8960 0.5625 1.3705 0.028 Uiso 1 1 calc R U
C10 C 0.8917(4) 0.5647(3) 1.4877(3) 0.0209(10) Uani 1 1 d . .
C11 C 0.8785(4) 0.5074(4) 1.5263(3) 0.0226(11) Uani 1 1 d . .
H11 H 0.8861 0.5332 1.5870 0.027 Uiso 1 1 calc R U
C12 C 0.8542(4) 0.4124(4) 1.4771(4) 0.0219(11) Uani 1 1 d . .
C13 C 0.8450(4) 0.3745(3) 1.3863(4) 0.0240(11) Uani 1 1 d . .
H13 H 0.8264 0.3114 1.3519 0.029 Uiso 1 1 calc R U
C14 C 0.9133(4) 0.6651(3) 1.5407(3) 0.0194(10) Uani 1 1 d . .
C15 C 0.8823(4) 0.7173(3) 1.5023(3) 0.0212(10) Uani 1 1 d . .
H15D H 0.8470 0.6886 1.4419 0.025 Uiso 1 1 calc R U
C16 C 0.9029(4) 0.8114(3) 1.5523(3) 0.0222(11) Uani 1 1 d . .
H16 H 0.8806 0.8445 1.5253 0.027 Uiso 1 1 calc R U
C17 C 0.9567(4) 0.8557(3) 1.6423(3) 0.0204(10) Uani 1 1 d . .
C18 C 0.9891(4) 0.8043(4) 1.6811(3) 0.0234(11) Uani 1 1 d . .
H18 H 1.0264 0.8336 1.7410 0.028 Uiso 1 1 calc R U
C19 C 0.9668(4) 0.7108(4) 1.6319(3) 0.0234(11) Uani 1 1 d . .
H19 H 0.9875 0.6776 1.6597 0.028 Uiso 1 1 calc R U
C20 C 0.9818(4) 0.9574(3) 1.6988(3) 0.0197(10) Uani 1 1 d . .
C21 C 0.8465(4) 0.3556(3) 1.5240(4) 0.0226(11) Uani 1 1 d . .
C22 C 0.8197(4) 0.3850(4) 1.6014(4) 0.0288(12) Uani 1 1 d . .
H22 H 0.8004 0.4370 1.6199 0.035 Uiso 1 1 calc R U
C23 C 0.8214(4) 0.3380(4) 1.6507(4) 0.0273(12) Uani 1 1 d . .
H23 H 0.8042 0.3593 1.7023 0.033 Uiso 1 1 calc R U
C24 C 0.8488(4) 0.2588(3) 1.6235(3) 0.0215(10) Uani 1 1 d . .
C25 C 0.8718(4) 0.2271(4) 1.5449(4) 0.0275(12) Uani 1 1 d . .
H25 H 0.8890 0.1739 1.5254 0.033 Uiso 1 1 calc R U
C26 C 0.8693(4) 0.2741(4) 1.4957(4) 0.0259(11) Uani 1 1 d . .
H26 H 0.8832 0.2509 1.4425 0.031 Uiso 1 1 calc R U
C27 C 0.8589(4) 0.2131(3) 1.6808(4) 0.0239(11) Uani 1 1 d . .
C28 C 0.7548(5) -0.0140(4) 0.7610(4) 0.0398(15) Uani 1 1 d . .
C29 C 0.6780(5) -0.1053(5) 0.7061(5) 0.0450(18) Uani 1 1 d . .
C30 C 0.5982(5) -0.1222(4) 0.6373(5) 0.0440(17) Uani 1 1 d . .
H30 H 0.5929 -0.0763 0.6218 0.053 Uiso 1 1 calc R U
C31 C 0.5261(5) -0.2055(4) 0.5911(4) 0.0338(13) Uani 1 1 d . .
H31 H 0.4733 -0.2154 0.5452 0.041 Uiso 1 1 calc R U
C32 C 0.5342(4) -0.2741(4) 0.6147(3) 0.0261(12) Uani 1 1 d . .
C33 C 0.6150(4) -0.2565(4) 0.6846(4) 0.0345(14) Uani 1 1 d . .
H33 H 0.6212 -0.3021 0.7004 0.041 Uiso 1 1 calc R U
C34 C 0.6855(5) -0.1723(4) 0.7303(5) 0.0393(15) Uani 1 1 d . .
H34 H 0.7378 -0.1612 0.7772 0.047 Uiso 1 1 calc R U
C35 C 0.4621(4) -0.3667(4) 0.5663(3) 0.0232(11) Uani 1 1 d . .
C36 C 0.4191(4) -0.4088(3) 0.4736(3) 0.0209(10) Uani 1 1 d . .
H36 H 0.4310 -0.3765 0.4425 0.025 Uiso 1 1 calc R U
C37 C 0.3585(4) -0.4986(3) 0.4272(3) 0.0214(11) Uani 1 1 d . .
C38 C 0.3408(4) -0.5450(3) 0.4756(4) 0.0220(11) Uani 1 1 d . .
H38 H 0.3009 -0.6051 0.4450 0.026 Uiso 1 1 calc R U
C39 C 0.3805(4) -0.5048(4) 0.5674(3) 0.0241(11) Uani 1 1 d . .
C40 C 0.4417(4) -0.4147(4) 0.6128(3) 0.0248(11) Uani 1 1 d . .
H40 H 0.4690 -0.3865 0.6747 0.030 Uiso 1 1 calc R U
C41 C 0.3179(4) -0.5454(3) 0.3279(3) 0.0195(10) Uani 1 1 d . .
C42 C 0.3688(4) -0.5250(3) 0.2765(3) 0.0233(11) Uani 1 1 d . .
H42 H 0.4272 -0.4789 0.3048 0.028 Uiso 1 1 calc R U
C43 C 0.3335(4) -0.5723(4) 0.1840(4) 0.0254(11) Uani 1 1 d . .
H43 H 0.3686 -0.5582 0.1507 0.030 Uiso 1 1 calc R U
C44 C 0.2457(4) -0.6411(4) 0.1404(3) 0.0217(11) Uani 1 1 d . .
C45 C 0.1929(4) -0.6599(4) 0.1911(4) 0.0255(11) Uani 1 1 d . .
H45 H 0.1334 -0.7045 0.1628 0.031 Uiso 1 1 calc R U
C46 C 0.2286(4) -0.6126(3) 0.2833(3) 0.0214(10) Uani 1 1 d . .
H46 H 0.1925 -0.6256 0.3164 0.026 Uiso 1 1 calc R U
C47 C 0.2105(4) -0.6973(4) 0.0409(3) 0.0227(11) Uani 1 1 d . .
C48 C 0.3626(4) -0.5570(4) 0.6164(4) 0.0261(11) Uani 1 1 d . .
C49 C 0.3614(4) -0.6474(4) 0.5822(4) 0.0278(12) Uani 1 1 d . .
H49 H 0.3704 -0.6761 0.5272 0.033 Uiso 1 1 calc R U
C50 C 0.3471(4) -0.6954(4) 0.6295(4) 0.0303(12) Uani 1 1 d . .
H50 H 0.3471 -0.7558 0.6061 0.036 Uiso 1 1 calc R U
C51 C 0.3326(4) -0.6537(4) 0.7115(4) 0.0291(12) Uani 1 1 d . .
C52 C 0.3315(4) -0.5633(4) 0.7452(4) 0.0335(13) Uani 1 1 d . .
H52 H 0.3193 -0.5356 0.7989 0.040 Uiso 1 1 calc R U
C53 C 0.3483(4) -0.5148(4) 0.6992(4) 0.0316(13) Uani 1 1 d . .
H53 H 0.3501 -0.4539 0.7234 0.038 Uiso 1 1 calc R U
C54 C 0.3150(4) -0.7054(5) 0.7620(4) 0.0347(14) Uani 1 1 d . .
C55 C 1.2093(4) 0.0522(4) 1.0062(4) 0.0317(13) Uani 1 1 d . .
H55 H 1.1895 0.0794 1.0553 0.038 Uiso 1 1 calc R U
C56 C 1.2248(4) 0.0043(4) 0.8760(4) 0.0259(11) Uani 1 1 d . .
H56 H 1.2160 -0.0070 0.8173 0.031 Uiso 1 1 calc R U
C57 C 1.2850(4) -0.0246(4) 0.9201(4) 0.0248(11) Uani 1 1 d . .
C58 C 1.3503(4) -0.0764(4) 0.8924(4) 0.0275(12) Uani 1 1 d . .
C59 C 1.4066(4) -0.0965(4) 0.9512(4) 0.0290(12) Uani 1 1 d . .
H59 H 1.4040 -0.0748 1.0091 0.035 Uiso 1 1 calc R U
C60 C 1.4674(4) -0.1481(4) 0.9273(4) 0.0308(12) Uani 1 1 d . .
C61 C 1.4726(6) -0.1790(6) 0.8411(5) 0.0493(18) Uani 1 1 d . .
H61 H 1.5116 -0.2147 0.8231 0.059 Uiso 1 1 calc R U
C62 C 1.4191(6) -0.1561(6) 0.7822(5) 0.058(2) Uani 1 1 d . .
H62 H 1.4249 -0.1743 0.7256 0.069 Uiso 1 1 calc R U
C63 C 1.3566(6) -0.1063(6) 0.8067(5) 0.0482(18) Uani 1 1 d . .
H63 H 1.3196 -0.0931 0.7660 0.058 Uiso 1 1 calc R U
C64 C 1.5231(4) -0.1684(4) 0.9926(4) 0.0331(13) Uani 1 1 d . .
C65 C 1.5720(5) -0.1699(5) 1.1201(4) 0.0383(15) Uani 1 1 d . .
H65 H 1.5778 -0.1600 1.1780 0.046 Uiso 1 1 calc R U
C66 C 1.5910(4) -0.2116(4) 0.9920(4) 0.0288(12) Uani 1 1 d . .
H66 H 1.6127 -0.2377 0.9439 0.035 Uiso 1 1 calc R U
O14 O 1.0878(3) 0.1531(3) 0.6323(3) 0.0408(11) Uani 1 1 d . .
H14A H 1.0773 0.0981 0.5941 0.061 Uiso 1 1 d R U
H14C H 1.1476 0.1803 0.6546 0.061 Uiso 1 1 d R U
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
O7 Co1 O13 118.1(2) . .
O7 Co1 O2 107.2(2) . .
O13 Co1 O2 108.30(19) . .
O7 Co1 O6 101.9(2) . 1_554
O13 Co1 O6 108.76(15) . 1_554
O2 Co1 O6 112.6(2) . 1_554
O4 Co2 O10 171.50(16) 1_544 1_666
O4 Co2 N1 87.92(16) 1_544 .
O10 Co2 N1 92.26(17) 1_666 .
O4 Co2 O13 93.47(14) 1_544 .
O10 Co2 O13 87.20(15) 1_666 .
N1 Co2 O13 174.16(16) . .
O4 Co2 O17 86.64(16) 1_544 .
O10 Co2 O17 84.88(16) 1_666 .
N1 Co2 O17 95.24(17) . .
O13 Co2 O17 90.50(15) . .
O4 Co2 O16 90.21(14) 1_544 .
O10 Co2 O16 98.26(15) 1_666 .
N1 Co2 O16 93.21(16) . .
O13 Co2 O16 81.13(13) . .
O17 Co2 O16 170.86(15) . .
O16 Co3 O9 110.77(16) . 1_666
O16 Co3 O11 112.54(17) . 1_665
O9 Co3 O11 102.98(18) 1_666 1_665
O16 Co3 N4 110.79(18) . 2_857
O9 Co3 N4 98.65(18) 1_666 2_857
O11 Co3 N4 119.63(19) 1_665 2_857
O5 Co4 O16 173.75(15) 1_554 .
O5 Co4 O13 91.69(15) 1_554 .
O16 Co4 O13 84.00(13) . .
O5 Co4 O14 89.84(18) 1_554 .
O16 Co4 O14 95.03(17) . .
O13 Co4 O14 172.31(17) . .
O5 Co4 O3 87.37(15) 1_554 1_544
O16 Co4 O3 88.86(14) . 1_544
O13 Co4 O3 99.30(14) . 1_544
O14 Co4 O3 88.30(16) . 1_544
O5 Co4 O15 89.85(16) 1_554 .
O16 Co4 O15 94.67(16) . .
O13 Co4 O15 90.09(16) . .
O14 Co4 O15 82.37(18) . .
O3 Co4 O15 170.28(16) 1_544 .
C55 N1 C56 105.3(5) . .
C55 N1 Co2 130.2(4) . .
C56 N1 Co2 124.5(3) . .
C55 N2 C57 108.7(5) . .
C55 N2 H2A 125.6 . .
C57 N2 H2A 125.6 . .
C65 N3 C64 108.6(5) . .
C65 N3 H3 125.7 . .
C64 N3 H3 125.7 . .
C65 N4 C66 104.9(5) . .
C65 N4 Co3 126.3(4) . 2_857
C66 N4 Co3 128.5(4) . 2_857
C1 O2 Co1 111.3(5) . .
C20 O3 Co4 124.3(3) . 1_566
C20 O4 Co2 131.5(3) . 1_566
C27 O5 Co4 131.9(4) . 1_556
C27 O6 Co1 112.1(3) . 1_556
C28 O7 Co1 113.2(4) . .
C47 O9 Co3 126.3(3) . 1_444
C47 O10 Co2 138.4(4) . 1_444
C54 O11 Co3 108.2(4) . 1_445
Co1 O13 Co4 109.18(15) . .
Co1 O13 Co2 137.05(18) . .
Co4 O13 Co2 93.61(14) . .
Co1 O13 H13A 104.4 . .
Co4 O13 H13A 104.4 . .
Co2 O13 H13A 104.4 . .
Co4 O15 H15A 109.3 . .
Co4 O15 H15B 109.4 . .
H15A O15 H15B 109.5 . .
Co3 O16 Co4 122.29(17) . .
Co3 O16 Co2 112.13(16) . .
Co4 O16 Co2 92.27(14) . .
Co3 O16 H16A 109.6 . .
Co4 O16 H16A 109.6 . .
Co2 O16 H16A 109.6 . .
Co2 O17 H17A 109.4 . .
Co2 O17 H17C 109.4 . .
H17A O17 H17C 109.5 . .
O1 C1 O2 119.8(7) . .
O1 C1 C2 120.7(7) . .
O2 C1 C2 119.5(6) . .
C7 C2 C3 118.3(5) . .
C7 C2 C1 122.2(6) . .
C3 C2 C1 119.5(6) . .
C4 C3 C2 120.4(6) . .
C4 C3 H3A 119.8 . .
C2 C3 H3A 119.8 . .
C3 C4 C5 121.4(6) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C6 C5 C4 117.2(5) . .
C6 C5 C8 122.7(5) . .
C4 C5 C8 120.1(5) . .
C5 C6 C7 121.2(6) . .
C5 C6 H6 119.4 . .
C7 C6 H6 119.4 . .
C2 C7 C6 121.5(6) . .
C2 C7 H7 119.3 . .
C6 C7 H7 119.3 . .
C13 C8 C9 119.4(5) . .
C13 C8 C5 121.0(4) . .
C9 C8 C5 119.5(5) . .
C10 C9 C8 120.6(5) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C11 C10 C9 118.2(5) . .
C11 C10 C14 121.3(4) . .
C9 C10 C14 120.5(5) . .
C10 C11 C12 122.4(5) . .
C10 C11 H11 118.8 . .
C12 C11 H11 118.8 . .
C13 C12 C11 118.3(5) . .
C13 C12 C21 122.1(5) . .
C11 C12 C21 119.4(5) . .
C12 C13 C8 120.9(5) . .
C12 C13 H13 119.6 . .
C8 C13 H13 119.6 . .
C15 C14 C19 117.6(5) . .
C15 C14 C10 121.9(4) . .
C19 C14 C10 120.5(5) . .
C16 C15 C14 121.6(5) . .
C16 C15 H15D 119.2 . .
C14 C15 H15D 119.2 . .
C17 C16 C15 120.1(5) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C18 118.8(5) . .
C16 C17 C20 122.0(5) . .
C18 C17 C20 119.2(4) . .
C19 C18 C17 121.0(5) . .
C19 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
C18 C19 C14 120.8(5) . .
C18 C19 H19 119.6 . .
C14 C19 H19 119.6 . .
O3 C20 O4 124.6(4) . .
O3 C20 C17 120.2(4) . .
O4 C20 C17 115.1(4) . .
C26 C21 C22 117.3(5) . .
C26 C21 C12 122.1(5) . .
C22 C21 C12 120.6(5) . .
C23 C22 C21 121.3(5) . .
C23 C22 H22 119.3 . .
C21 C22 H22 119.3 . .
C22 C23 C24 120.4(5) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C25 C24 C23 118.7(5) . .
C25 C24 C27 120.9(5) . .
C23 C24 C27 120.2(5) . .
C26 C25 C24 120.5(5) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C25 C26 C21 121.6(5) . .
C25 C26 H26 119.2 . .
C21 C26 H26 119.2 . .
O6 C27 O5 122.1(5) . .
O6 C27 C24 120.7(5) . .
O5 C27 C24 117.3(5) . .
O7 C28 O8 123.4(6) . .
O7 C28 C29 116.6(6) . .
O8 C28 C29 119.9(7) . .
C34 C29 C30 119.3(6) . .
C34 C29 C28 117.2(6) . .
C30 C29 C28 123.3(7) . .
C29 C30 C31 122.0(7) . .
C29 C30 H30 119.0 . .
C31 C30 H30 119.0 . .
C30 C31 C32 118.8(6) . .
C30 C31 H31 120.6 . .
C32 C31 H31 120.6 . .
C31 C32 C33 118.9(5) . .
C31 C32 C35 122.3(5) . .
C33 C32 C35 118.7(5) . .
C34 C33 C32 121.0(6) . .
C34 C33 H33 119.5 . .
C32 C33 H33 119.5 . .
C29 C34 C33 119.9(6) . .
C29 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C40 C35 C36 119.3(5) . .
C40 C35 C32 119.9(5) . .
C36 C35 C32 120.7(5) . .
C37 C36 C35 120.7(5) . .
C37 C36 H36 119.6 . .
C35 C36 H36 119.6 . .
C36 C37 C38 118.5(5) . .
C36 C37 C41 120.7(5) . .
C38 C37 C41 120.7(4) . .
C39 C38 C37 122.2(5) . .
C39 C38 H38 118.9 . .
C37 C38 H38 118.9 . .
C38 C39 C40 118.5(5) . .
C38 C39 C48 120.8(5) . .
C40 C39 C48 120.7(5) . .
C35 C40 C39 120.8(5) . .
C35 C40 H40 119.6 . .
C39 C40 H40 119.6 . .
C42 C41 C46 118.0(4) . .
C42 C41 C37 120.9(4) . .
C46 C41 C37 121.1(4) . .
C43 C42 C41 120.9(5) . .
C43 C42 H42 119.6 . .
C41 C42 H42 119.6 . .
C42 C43 C44 120.4(5) . .
C42 C43 H43 119.8 . .
C44 C43 H43 119.8 . .
C45 C44 C43 119.1(5) . .
C45 C44 C47 120.0(5) . .
C43 C44 C47 120.7(5) . .
C46 C45 C44 120.1(5) . .
C46 C45 H45 119.9 . .
C44 C45 H45 119.9 . .
C45 C46 C41 121.3(5) . .
C45 C46 H46 119.3 . .
C41 C46 H46 119.3 . .
O10 C47 O9 125.5(5) . .
O10 C47 C44 117.6(5) . .
O9 C47 C44 116.9(5) . .
C49 C48 C53 118.9(5) . .
C49 C48 C39 120.9(5) . .
C53 C48 C39 120.2(5) . .
C50 C49 C48 120.7(5) . .
C50 C49 H49 119.7 . .
C48 C49 H49 119.7 . .
C49 C50 C51 120.3(6) . .
C49 C50 H50 119.8 . .
C51 C50 H50 119.8 . .
C50 C51 C52 119.2(5) . .
C50 C51 C54 120.8(6) . .
C52 C51 C54 120.0(5) . .
C53 C52 C51 120.3(5) . .
C53 C52 H52 119.8 . .
C51 C52 H52 119.8 . .
C52 C53 C48 120.4(6) . .
C52 C53 H53 119.8 . .
C48 C53 H53 119.8 . .
O12 C54 O11 122.3(5) . .
O12 C54 C51 121.0(6) . .
O11 C54 C51 116.7(6) . .
N1 C55 N2 110.8(5) . .
N1 C55 H55 124.6 . .
N2 C55 H55 124.6 . .
C57 C56 N1 111.2(5) . .
C57 C56 H56 124.4 . .
N1 C56 H56 124.4 . .
C56 C57 N2 104.0(5) . .
C56 C57 C58 131.3(5) . .
N2 C57 C58 124.7(5) . .
C59 C58 C63 118.8(6) . .
C59 C58 C57 120.4(5) . .
C63 C58 C57 120.9(5) . .
C58 C59 C60 122.6(6) . .
C58 C59 H59 118.7 . .
C60 C59 H59 118.7 . .
C59 C60 C61 118.5(6) . .
C59 C60 C64 119.4(5) . .
C61 C60 C64 122.1(6) . .
C62 C61 C60 119.5(6) . .
C62 C61 H61 120.2 . .
C60 C61 H61 120.2 . .
C61 C62 C63 121.1(6) . .
C61 C62 H62 119.5 . .
C63 C62 H62 119.5 . .
C58 C63 C62 119.4(6) . .
C58 C63 H63 120.3 . .
C62 C63 H63 120.3 . .
C66 C64 N3 104.5(5) . .
C66 C64 C60 133.6(6) . .
N3 C64 C60 121.9(5) . .
N4 C65 N3 111.9(5) . .
N4 C65 H65 124.0 . .
N3 C65 H65 124.0 . .
C64 C66 N4 109.9(5) . .
C64 C66 H66 125.0 . .
N4 C66 H66 125.0 . .
Co4 O14 H14A 109.3 . .
Co4 O14 H14C 109.4 . .
H14A O14 H14C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O7 1.972(5) .
Co1 O13 1.980(3) .
Co1 O2 2.005(5) .
Co1 O6 2.019(4) 1_554
Co2 O4 2.045(4) 1_544
Co2 O10 2.072(4) 1_666
Co2 N1 2.097(5) .
Co2 O13 2.105(3) .
Co2 O17 2.137(4) .
Co2 O16 2.160(3) .
Co3 O16 1.946(4) .
Co3 O9 1.968(4) 1_666
Co3 O11 1.972(4) 1_665
Co3 N4 2.006(5) 2_857
Co4 O5 2.059(4) 1_554
Co4 O16 2.068(4) .
Co4 O13 2.078(3) .
Co4 O14 2.101(4) .
Co4 O3 2.146(4) 1_544
Co4 O15 2.175(4) .
N1 C55 1.316(7) .
N1 C56 1.382(7) .
N2 C55 1.339(8) .
N2 C57 1.388(7) .
N2 H2A 0.8600 .
N3 C65 1.319(8) .
N3 C64 1.374(8) .
N3 H3 0.8600 .
N4 C65 1.311(8) .
N4 C66 1.385(7) .
N4 Co3 2.006(5) 2_857
O1 C1 1.220(10) .
O2 C1 1.228(9) .
O3 C20 1.266(6) .
O3 Co4 2.146(4) 1_566
O4 C20 1.277(6) .
O4 Co2 2.045(4) 1_566
O5 C27 1.275(7) .
O5 Co4 2.059(4) 1_556
O6 C27 1.264(7) .
O6 Co1 2.019(4) 1_556
O7 C28 1.241(8) .
O8 C28 1.269(9) .
O9 C47 1.270(7) .
O9 Co3 1.968(4) 1_444
O10 C47 1.242(7) .
O10 Co2 2.072(4) 1_444
O11 C54 1.280(8) .
O11 Co3 1.972(4) 1_445
O12 C54 1.251(8) .
O13 H13A 0.9800 .
O15 H15A 0.8500 .
O15 H15B 0.8499 .
O16 H16A 0.9800 .
O17 H17A 0.8499 .
O17 H17C 0.8500 .
C1 C2 1.500(8) .
C2 C7 1.359(9) .
C2 C3 1.389(9) .
C3 C4 1.385(9) .
C3 H3A 0.9300 .
C4 C5 1.390(8) .
C4 H4 0.9300 .
C5 C6 1.378(8) .
C5 C8 1.499(7) .
C6 C7 1.388(9) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C13 1.398(8) .
C8 C9 1.406(7) .
C9 C10 1.403(7) .
C9 H9 0.9300 .
C10 C11 1.393(7) .
C10 C14 1.487(7) .
C11 C12 1.399(7) .
C11 H11 0.9300 .
C12 C13 1.397(7) .
C12 C21 1.494(7) .
C13 H13 0.9300 .
C14 C15 1.394(7) .
C14 C19 1.402(7) .
C15 C16 1.392(7) .
C15 H15D 0.9300 .
C16 C17 1.388(7) .
C16 H16 0.9300 .
C17 C18 1.393(7) .
C17 C20 1.506(7) .
C18 C19 1.382(7) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C21 C26 1.396(7) .
C21 C22 1.405(8) .
C22 C23 1.383(8) .
C22 H22 0.9300 .
C23 C24 1.399(7) .
C23 H23 0.9300 .
C24 C25 1.392(8) .
C24 C27 1.489(7) .
C25 C26 1.383(8) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C28 C29 1.509(9) .
C29 C34 1.373(11) .
C29 C30 1.389(11) .
C30 C31 1.390(9) .
C30 H30 0.9300 .
C31 C32 1.394(9) .
C31 H31 0.9300 .
C32 C33 1.407(8) .
C32 C35 1.491(7) .
C33 C34 1.389(9) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C40 1.398(8) .
C35 C36 1.397(7) .
C36 C37 1.395(7) .
C36 H36 0.9300 .
C37 C38 1.395(7) .
C37 C41 1.488(7) .
C38 C39 1.381(7) .
C38 H38 0.9300 .
C39 C40 1.401(8) .
C39 C48 1.481(8) .
C40 H40 0.9300 .
C41 C42 1.396(7) .
C41 C46 1.400(7) .
C42 C43 1.385(7) .
C42 H42 0.9300 .
C43 C44 1.395(7) .
C43 H43 0.9300 .
C44 C45 1.394(8) .
C44 C47 1.494(7) .
C45 C46 1.380(7) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C48 C49 1.388(8) .
C48 C53 1.403(8) .
C49 C50 1.389(8) .
C49 H49 0.9300 .
C50 C51 1.391(9) .
C50 H50 0.9300 .
C51 C52 1.398(9) .
C51 C54 1.496(8) .
C52 C53 1.383(9) .
C52 H52 0.9300 .
C53 H53 0.9300 .
C55 H55 0.9300 .
C56 C57 1.350(8) .
C56 H56 0.9300 .
C57 C58 1.465(8) .
C58 C59 1.378(8) .
C58 C63 1.392(9) .
C59 C60 1.392(8) .
C59 H59 0.9300 .
C60 C61 1.391(9) .
C60 C64 1.460(9) .
C61 C62 1.390(10) .
C61 H61 0.9300 .
C62 C63 1.397(10) .
C62 H62 0.9300 .
C63 H63 0.9300 .
C64 C66 1.362(8) .
C65 H65 0.9300 .
C66 H66 0.9300 .
O14 H14A 0.8501 .
O14 H14C 0.8500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C65 H65 O12 0.93 2.44 3.088(8) 126.7 2_747
C65 H65 O12 0.93 2.44 3.088(8) 126.7 2_747
C65 H65 O12 0.93 2.44 3.088(8) 126.7 2_747
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
Co1 O2 C1 O1 11.8(10) .
Co1 O2 C1 C2 -169.3(5) .
O1 C1 C2 C7 175.6(9) .
O2 C1 C2 C7 -3.3(12) .
O1 C1 C2 C3 -1.7(12) .
O2 C1 C2 C3 179.4(7) .
C7 C2 C3 C4 2.3(12) .
C1 C2 C3 C4 179.7(7) .
C2 C3 C4 C5 -1.0(12) .
C3 C4 C5 C6 0.4(10) .
C3 C4 C5 C8 179.2(6) .
C4 C5 C6 C7 -1.2(11) .
C8 C5 C6 C7 -179.9(7) .
C3 C2 C7 C6 -3.2(13) .
C1 C2 C7 C6 179.5(8) .
C5 C6 C7 C2 2.7(14) .
C6 C5 C8 C13 38.7(9) .
C4 C5 C8 C13 -140.0(6) .
C6 C5 C8 C9 -143.6(6) .
C4 C5 C8 C9 37.7(8) .
C13 C8 C9 C10 1.6(8) .
C5 C8 C9 C10 -176.1(5) .
C8 C9 C10 C11 2.0(8) .
C8 C9 C10 C14 -178.8(5) .
C9 C10 C11 C12 -3.6(8) .
C14 C10 C11 C12 177.3(5) .
C10 C11 C12 C13 1.3(8) .
C10 C11 C12 C21 176.6(5) .
C11 C12 C13 C8 2.5(8) .
C21 C12 C13 C8 -172.7(5) .
C9 C8 C13 C12 -4.0(8) .
C5 C8 C13 C12 173.7(5) .
C11 C10 C14 C15 -147.9(5) .
C9 C10 C14 C15 33.0(8) .
C11 C10 C14 C19 32.6(8) .
C9 C10 C14 C19 -146.6(5) .
C19 C14 C15 C16 -0.3(8) .
C10 C14 C15 C16 -179.9(5) .
C14 C15 C16 C17 0.9(8) .
C15 C16 C17 C18 0.0(8) .
C15 C16 C17 C20 179.3(5) .
C16 C17 C18 C19 -1.4(8) .
C20 C17 C18 C19 179.2(5) .
C17 C18 C19 C14 2.1(8) .
C15 C14 C19 C18 -1.2(8) .
C10 C14 C19 C18 178.4(5) .
Co4 O3 C20 O4 8.1(7) 1_566
Co4 O3 C20 C17 -171.1(3) 1_566
Co2 O4 C20 O3 -18.9(8) 1_566
Co2 O4 C20 C17 160.3(3) 1_566
C16 C17 C20 O3 -21.5(7) .
C18 C17 C20 O3 157.8(5) .
C16 C17 C20 O4 159.2(5) .
C18 C17 C20 O4 -21.5(7) .
C13 C12 C21 C26 27.4(8) .
C11 C12 C21 C26 -147.7(5) .
C13 C12 C21 C22 -155.5(5) .
C11 C12 C21 C22 29.4(8) .
C26 C21 C22 C23 3.8(9) .
C12 C21 C22 C23 -173.5(5) .
C21 C22 C23 C24 -0.9(9) .
C22 C23 C24 C25 -1.6(8) .
C22 C23 C24 C27 174.5(5) .
C23 C24 C25 C26 1.2(8) .
C27 C24 C25 C26 -174.9(5) .
C24 C25 C26 C21 1.8(9) .
C22 C21 C26 C25 -4.3(8) .
C12 C21 C26 C25 173.0(5) .
Co1 O6 C27 O5 1.7(6) 1_556
Co1 O6 C27 C24 -178.8(4) 1_556
Co4 O5 C27 O6 -67.6(7) 1_556
Co4 O5 C27 C24 112.9(5) 1_556
C25 C24 C27 O6 -167.9(5) .
C23 C24 C27 O6 16.0(8) .
C25 C24 C27 O5 11.6(8) .
C23 C24 C27 O5 -164.4(5) .
Co1 O7 C28 O8 -6.3(9) .
Co1 O7 C28 C29 171.9(4) .
O7 C28 C29 C34 164.1(6) .
O8 C28 C29 C34 -17.6(10) .
O7 C28 C29 C30 -20.3(10) .
O8 C28 C29 C30 157.9(7) .
C34 C29 C30 C31 -1.0(10) .
C28 C29 C30 C31 -176.5(6) .
C29 C30 C31 C32 0.1(10) .
C30 C31 C32 C33 0.2(8) .
C30 C31 C32 C35 -177.5(5) .
C31 C32 C33 C34 0.5(9) .
C35 C32 C33 C34 178.3(6) .
C30 C29 C34 C33 1.6(10) .
C28 C29 C34 C33 177.4(6) .
C32 C33 C34 C29 -1.4(10) .
C31 C32 C35 C40 -146.4(5) .
C33 C32 C35 C40 35.9(8) .
C31 C32 C35 C36 37.9(8) .
C33 C32 C35 C36 -139.8(6) .
C40 C35 C36 C37 -1.8(8) .
C32 C35 C36 C37 173.9(5) .
C35 C36 C37 C38 0.9(8) .
C35 C36 C37 C41 -175.9(5) .
C36 C37 C38 C39 0.6(8) .
C41 C37 C38 C39 177.3(5) .
C37 C38 C39 C40 -0.9(8) .
C37 C38 C39 C48 -178.1(5) .
C36 C35 C40 C39 1.4(8) .
C32 C35 C40 C39 -174.4(5) .
C38 C39 C40 C35 -0.1(8) .
C48 C39 C40 C35 177.1(5) .
C36 C37 C41 C42 31.8(8) .
C38 C37 C41 C42 -144.9(5) .
C36 C37 C41 C46 -149.7(5) .
C38 C37 C41 C46 33.6(7) .
C46 C41 C42 C43 -2.5(8) .
C37 C41 C42 C43 176.1(5) .
C41 C42 C43 C44 0.6(8) .
C42 C43 C44 C45 1.5(8) .
C42 C43 C44 C47 -175.3(5) .
C43 C44 C45 C46 -1.7(8) .
C47 C44 C45 C46 175.1(5) .
C44 C45 C46 C41 -0.2(8) .
C42 C41 C46 C45 2.3(8) .
C37 C41 C46 C45 -176.3(5) .
Co2 O10 C47 O9 19.1(9) 1_444
Co2 O10 C47 C44 -158.8(4) 1_444
Co3 O9 C47 O10 -26.3(8) 1_444
Co3 O9 C47 C44 151.6(4) 1_444
C45 C44 C47 O10 -8.5(8) .
C43 C44 C47 O10 168.3(5) .
C45 C44 C47 O9 173.4(5) .
C43 C44 C47 O9 -9.8(8) .
C38 C39 C48 C49 40.5(8) .
C40 C39 C48 C49 -136.6(6) .
C38 C39 C48 C53 -140.8(6) .
C40 C39 C48 C53 42.1(8) .
C53 C48 C49 C50 -0.5(8) .
C39 C48 C49 C50 178.3(5) .
C48 C49 C50 C51 0.6(8) .
C49 C50 C51 C52 0.9(8) .
C49 C50 C51 C54 178.7(5) .
C50 C51 C52 C53 -2.6(9) .
C54 C51 C52 C53 179.6(5) .
C51 C52 C53 C48 2.8(9) .
C49 C48 C53 C52 -1.2(9) .
C39 C48 C53 C52 180.0(5) .
Co3 O11 C54 O12 -0.8(7) 1_445
Co3 O11 C54 C51 179.0(4) 1_445
C50 C51 C54 O12 9.7(9) .
C52 C51 C54 O12 -172.5(6) .
C50 C51 C54 O11 -170.1(5) .
C52 C51 C54 O11 7.7(8) .
C56 N1 C55 N2 0.6(7) .
Co2 N1 C55 N2 -179.8(4) .
C57 N2 C55 N1 -0.2(7) .
C55 N1 C56 C57 -0.8(6) .
Co2 N1 C56 C57 179.6(4) .
N1 C56 C57 N2 0.6(6) .
N1 C56 C57 C58 -179.0(5) .
C55 N2 C57 C56 -0.2(7) .
C55 N2 C57 C58 179.4(5) .
C56 C57 C58 C59 178.8(6) .
N2 C57 C58 C59 -0.7(9) .
C56 C57 C58 C63 -1.2(10) .
N2 C57 C58 C63 179.3(6) .
C63 C58 C59 C60 -2.2(9) .
C57 C58 C59 C60 177.8(5) .
C58 C59 C60 C61 1.2(9) .
C58 C59 C60 C64 -178.5(5) .
C59 C60 C61 C62 1.4(11) .
C64 C60 C61 C62 -178.9(7) .
C60 C61 C62 C63 -3.1(14) .
C59 C58 C63 C62 0.5(11) .
C57 C58 C63 C62 -179.5(7) .
C61 C62 C63 C58 2.1(14) .
C65 N3 C64 C66 1.8(7) .
C65 N3 C64 C60 -179.0(6) .
C59 C60 C64 C66 -175.9(6) .
C61 C60 C64 C66 4.5(11) .
C59 C60 C64 N3 5.3(9) .
C61 C60 C64 N3 -174.4(7) .
C66 N4 C65 N3 -0.6(8) .
Co3 N4 C65 N3 173.7(5) 2_857
C64 N3 C65 N4 -0.8(8) .
N3 C64 C66 N4 -2.2(7) .
C60 C64 C66 N4 178.8(6) .
C65 N4 C66 C64 1.8(7) .
Co3 N4 C66 C64 -172.3(4) 2_857
