#------------------------------------------------------------------------------
#$Date: 2019-11-10 00:46:56 +0200 (Sun, 10 Nov 2019) $
#$Revision: 225453 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/52/4515287.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_4515287
loop_
_publ_author_name
'Wang, Kuaibing'
'Cao, Xiaoran'
'Wang, Saier'
'Zhao, Wenjia'
'Xu, Jiangyan'
'Wang, Zikai'
'Wu, Hua'
_publ_section_title
;
 Interpenetrated and Polythreaded CoII-Organic Frameworks as a
 Supercapacitor Electrode Material with Ultrahigh Capacity and Excellent
 Energy Delivery Efficiency.
;
_journal_issue                   10
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              9104
_journal_page_last               9115
_journal_paper_doi               10.1021/acsami.7b16141
_journal_volume                  10
_journal_year                    2018
_chemical_formula_sum            'C38 H26 Co N7 O6'
_chemical_formula_weight         735.59
_chemical_melting_point          ?
_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                95.192(4)
_cell_angle_beta                 101.041(4)
_cell_angle_gamma                92.289(4)
_cell_formula_units_Z            2
_cell_length_a                   9.061(2)
_cell_length_b                   10.968(3)
_cell_length_c                   17.363(4)
_cell_measurement_reflns_used    7764
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      1.87
_cell_volume                     1683.8(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19941
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.570
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.902
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.420
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7764
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0333
_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)+(0.0545P)²+0.5886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.1005
_reflns_number_gt                6796
_reflns_number_total             7764
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            am7b16141_si_002.cif
_cod_data_source_block           CoSC3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1683.7(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4515287
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.63145(2) 0.43558(2) 0.419747(11) 0.02653(7) Uani 1 1 d .
C1 C 0.83103(17) 0.38780(14) 0.23078(9) 0.0271(3) Uani 1 1 d .
C2 C 0.97235(19) 0.34000(16) 0.23702(9) 0.0324(3) Uani 1 1 d .
H2 H 1.0234 0.3199 0.2855 0.039 Uiso 1 1 calc R
C3 C 1.03707(18) 0.32234(16) 0.17093(9) 0.0319(3) Uani 1 1 d .
H3 H 1.1315 0.2904 0.1753 0.038 Uiso 1 1 calc R
C4 C 0.96147(16) 0.35221(14) 0.09798(8) 0.0243(3) Uani 1 1 d .
C5 C 0.82024(17) 0.40132(15) 0.09200(9) 0.0292(3) Uani 1 1 d .
H5 H 0.7694 0.4222 0.0436 0.035 Uiso 1 1 calc R
C6 C 0.75591(18) 0.41892(16) 0.15834(9) 0.0308(3) Uani 1 1 d .
H6 H 0.6620 0.4517 0.1542 0.037 Uiso 1 1 calc R
C7 C 0.75953(19) 0.40519(15) 0.30224(9) 0.0301(3) Uani 1 1 d .
C8 C 1.45310(18) 0.18864(16) 0.04815(9) 0.0326(3) Uani 1 1 d .
H8 H 1.4114 0.2007 0.0930 0.039 Uiso 1 1 calc R
C9 C 1.59403(18) 0.14087(17) 0.05368(10) 0.0342(4) Uani 1 1 d .
H9 H 1.6465 0.1212 0.1020 0.041 Uiso 1 1 calc R
C10 C 1.65638(17) 0.12262(15) -0.01343(10) 0.0296(3) Uani 1 1 d .
C11 C 1.57999(19) 0.15627(18) -0.08492(10) 0.0382(4) Uani 1 1 d .
H11 H 1.6236 0.1470 -0.1293 0.046 Uiso 1 1 calc R
C12 C 1.43921(19) 0.20358(18) -0.09059(10) 0.0373(4) Uani 1 1 d .
H12 H 1.3882 0.2253 -0.1387 0.045 Uiso 1 1 calc R
C13 C 1.37377(16) 0.21866(15) -0.02372(9) 0.0275(3) Uani 1 1 d .
C14 C 1.80509(17) 0.06757(15) -0.00869(10) 0.0317(3) Uani 1 1 d .
C15 C 1.02846(16) 0.32950(14) 0.02667(8) 0.0241(3) Uani 1 1 d .
C16 C 1.21981(16) 0.26506(14) -0.03038(9) 0.0253(3) Uani 1 1 d .
C17 C 1.00698(16) 0.32212(14) -0.10601(8) 0.0243(3) Uani 1 1 d .
C18 C 0.8616(2) 0.64733(16) 0.49416(10) 0.0337(3) Uani 1 1 d .
H18 H 0.9120 0.5972 0.5297 0.040 Uiso 1 1 calc R
C19 C 0.7002(3) 0.71346(19) 0.40326(12) 0.0506(5) Uani 1 1 d .
H19 H 0.6161 0.7169 0.3635 0.061 Uiso 1 1 calc R
C20 C 0.8063(3) 0.80535(19) 0.42867(13) 0.0506(5) Uani 1 1 d .
H20 H 0.8089 0.8824 0.4104 0.061 Uiso 1 1 calc R
C21 C 1.0457(2) 0.82811(17) 0.53353(11) 0.0376(4) Uani 1 1 d .
H21A H 1.0788 0.8901 0.5031 0.045 Uiso 1 1 calc R
H21B H 1.1247 0.7710 0.5428 0.045 Uiso 1 1 calc R
C22 C 1.0250(2) 0.88924(15) 0.61201(10) 0.0346(4) Uani 1 1 d .
C23 C 0.8840(2) 0.91080(17) 0.62834(11) 0.0402(4) Uani 1 1 d .
H23 H 0.7985 0.8863 0.5902 0.048 Uiso 1 1 calc R
C24 C 0.8679(2) 0.96878(17) 0.70118(11) 0.0414(4) Uani 1 1 d .
C25 C 0.9953(2) 1.00802(18) 0.75687(11) 0.0466(5) Uani 1 1 d .
H25 H 0.9860 1.0498 0.8046 0.056 Uiso 1 1 calc R
C26 C 1.1364(3) 0.9853(2) 0.74184(12) 0.0499(5) Uani 1 1 d .
H26 H 1.2216 1.0105 0.7800 0.060 Uiso 1 1 calc R
C27 C 1.1519(2) 0.92519(18) 0.67043(12) 0.0435(4) Uani 1 1 d .
H27 H 1.2473 0.9087 0.6613 0.052 Uiso 1 1 calc R
C28 C 0.91960(17) 0.34337(14) -0.18430(8) 0.0256(3) Uani 1 1 d .
C29 C 0.7142(3) 0.9903(2) 0.72053(14) 0.0569(6) Uani 1 1 d .
H29A H 0.7145 0.9711 0.7740 0.068 Uiso 1 1 calc R
H29B H 0.6949 1.0764 0.7182 0.068 Uiso 1 1 calc R
C30 C 0.77656(17) 0.38978(16) -0.19138(9) 0.0315(3) Uani 1 1 d .
H30 H 0.7333 0.4023 -0.1471 0.038 Uiso 1 1 calc R
C31 C 0.98147(18) 0.32198(16) -0.25161(9) 0.0318(3) Uani 1 1 d .
H31 H 1.0760 0.2902 -0.2476 0.038 Uiso 1 1 calc R
C32 C 0.90305(18) 0.34775(16) -0.32420(9) 0.0330(4) Uani 1 1 d .
H32 H 0.9447 0.3323 -0.3688 0.040 Uiso 1 1 calc R
C33 C 0.76200(17) 0.39679(15) -0.33106(8) 0.0262(3) Uani 1 1 d .
C34 C 0.69891(17) 0.41728(17) -0.26406(9) 0.0323(3) Uani 1 1 d .
H34 H 0.6046 0.4495 -0.2682 0.039 Uiso 1 1 calc R
C35 C 0.68112(17) 0.43287(15) -0.40911(9) 0.0272(3) Uani 1 1 d .
C36 C 0.5579(2) 0.79609(19) 0.66784(11) 0.0427(4) Uani 1 1 d .
H36 H 0.5954 0.7510 0.7094 0.051 Uiso 1 1 calc R
C37 C 0.5187(2) 0.9484(2) 0.59530(13) 0.0500(5) Uani 1 1 d .
H37 H 0.5213 1.0253 0.5768 0.060 Uiso 1 1 calc R
C38 C 0.4407(2) 0.84516(19) 0.55732(12) 0.0452(4) Uani 1 1 d .
H38 H 0.3800 0.8395 0.5073 0.054 Uiso 1 1 calc R
N1 N 1.16831(14) 0.28881(13) 0.03639(7) 0.0293(3) Uani 1 1 d .
N2 N 1.14375(15) 0.27823(13) -0.10292(7) 0.0281(3) Uani 1 1 d .
N3 N 0.94443(14) 0.34926(12) -0.04292(7) 0.0267(3) Uani 1 1 d .
N4 N 0.73408(17) 0.61420(13) 0.44454(8) 0.0345(3) Uani 1 1 d .
N5 N 0.90987(17) 0.76220(13) 0.48701(8) 0.0342(3) Uani 1 1 d .
N6 N 0.59318(18) 0.91643(15) 0.66672(10) 0.0431(4) Uani 1 1 d .
N7 N 0.46485(17) 0.75029(14) 0.60373(9) 0.0374(3) Uani 1 1 d .
O1 O 0.62681(14) 0.43925(13) 0.29388(7) 0.0411(3) Uani 1 1 d .
O2 O 0.83180(14) 0.38442(12) 0.36852(7) 0.0368(3) Uani 1 1 d .
O3 O 1.87282(14) 0.04281(14) 0.05908(8) 0.0473(3) Uani 1 1 d .
O4 O 1.85719(15) 0.04616(14) -0.07029(8) 0.0495(4) Uani 1 1 d .
O5 O 0.72662(14) 0.39157(12) -0.47003(6) 0.0372(3) Uani 1 1 d .
O6 O 0.57849(14) 0.50439(14) -0.40860(7) 0.0462(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
O6 Co1 O5 115.49(5) 2_665 1_556
O6 Co1 N4 93.21(6) 2_665 .
O5 Co1 N4 91.35(5) 1_556 .
O6 Co1 N7 89.05(6) 2_665 2_666
O5 Co1 N7 87.06(6) 1_556 2_666
N4 Co1 N7 177.64(5) . 2_666
O6 Co1 O1 91.74(5) 2_665 .
O5 Co1 O1 152.41(5) 1_556 .
N4 Co1 O1 91.51(6) . .
N7 Co1 O1 89.11(6) 2_666 .
O6 Co1 O2 151.10(5) 2_665 .
O5 Co1 O2 93.39(5) 1_556 .
N4 Co1 O2 86.68(5) . .
N7 Co1 O2 91.67(5) 2_666 .
O1 Co1 O2 59.40(4) . .
C6 C1 C2 119.74(13) . .
C6 C1 C7 120.15(14) . .
C2 C1 C7 120.11(14) . .
C3 C2 C1 120.05(14) . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C2 C3 C4 120.42(14) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C3 C4 C5 119.44(13) . .
C3 C4 C15 120.45(13) . .
C5 C4 C15 120.10(13) . .
C6 C5 C4 119.94(14) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C1 120.41(14) . .
C5 C6 H6 119.8 . .
C1 C6 H6 119.8 . .
O2 C7 O1 121.21(14) . .
O2 C7 C1 119.88(14) . .
O1 C7 C1 118.91(14) . .
C9 C8 C13 120.70(15) . .
C9 C8 H8 119.7 . .
C13 C8 H8 119.7 . .
C8 C9 C10 119.69(15) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C11 C10 C9 119.91(14) . .
C11 C10 C14 119.96(14) . .
C9 C10 C14 120.13(14) . .
C12 C11 C10 120.43(15) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C13 119.90(15) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C8 C13 C12 119.31(14) . .
C8 C13 C16 120.73(13) . .
C12 C13 C16 119.96(13) . .
O4 C14 O3 123.11(14) . .
O4 C14 C10 119.65(15) . .
O3 C14 C10 117.23(15) . .
N3 C15 N1 124.62(13) . .
N3 C15 C4 117.66(12) . .
N1 C15 C4 117.71(12) . .
N2 C16 N1 125.34(13) . .
N2 C16 C13 117.15(13) . .
N1 C16 C13 117.51(13) . .
N2 C17 N3 124.54(13) . .
N2 C17 C28 117.72(12) . .
N3 C17 C28 117.74(12) . .
N4 C18 N5 111.65(15) . .
N4 C18 H18 124.2 . .
N5 C18 H18 124.2 . .
C20 C19 N4 110.15(17) . .
C20 C19 H19 124.9 . .
N4 C19 H19 124.9 . .
C19 C20 N5 106.11(17) . .
C19 C20 H20 126.9 . .
N5 C20 H20 126.9 . .
N5 C21 C22 113.98(14) . .
N5 C21 H21A 108.8 . .
C22 C21 H21A 108.8 . .
N5 C21 H21B 108.8 . .
C22 C21 H21B 108.8 . .
H21A C21 H21B 107.7 . .
C23 C22 C27 118.57(17) . .
C23 C22 C21 122.27(16) . .
C27 C22 C21 119.17(16) . .
C22 C23 C24 121.14(17) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C25 C24 C23 119.25(18) . .
C25 C24 C29 119.05(18) . .
C23 C24 C29 121.69(18) . .
C26 C25 C24 120.15(18) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C27 120.47(19) . .
C25 C26 H26 119.8 . .
C27 C26 H26 119.8 . .
C26 C27 C22 120.34(19) . .
C26 C27 H27 119.8 . .
C22 C27 H27 119.8 . .
C31 C28 C30 119.16(13) . .
C31 C28 C17 120.32(13) . .
C30 C28 C17 120.47(13) . .
N6 C29 C24 112.66(16) . .
N6 C29 H29A 109.1 . .
C24 C29 H29A 109.1 . .
N6 C29 H29B 109.1 . .
C24 C29 H29B 109.1 . .
H29A C29 H29B 107.8 . .
C34 C30 C28 120.41(13) . .
C34 C30 H30 119.8 . .
C28 C30 H30 119.8 . .
C32 C31 C28 120.36(14) . .
C32 C31 H31 119.8 . .
C28 C31 H31 119.8 . .
C31 C32 C33 120.54(14) . .
C31 C32 H32 119.7 . .
C33 C32 H32 119.7 . .
C32 C33 C34 119.34(13) . .
C32 C33 C35 120.57(13) . .
C34 C33 C35 120.03(13) . .
C30 C34 C33 120.15(14) . .
C30 C34 H34 119.9 . .
C33 C34 H34 119.9 . .
O6 C35 O5 124.74(14) . .
O6 C35 C33 117.84(13) . .
O5 C35 C33 117.37(13) . .
N7 C36 N6 112.09(17) . .
N7 C36 H36 124.0 . .
N6 C36 H36 124.0 . .
C38 C37 N6 106.09(18) . .
C38 C37 H37 127.0 . .
N6 C37 H37 127.0 . .
C37 C38 N7 109.81(18) . .
C37 C38 H38 125.1 . .
N7 C38 H38 125.1 . .
C16 N1 C15 114.85(12) . .
C16 N2 C17 115.11(12) . .
C15 N3 C17 115.49(12) . .
C18 N4 C19 105.24(16) . .
C18 N4 Co1 126.14(12) . .
C19 N4 Co1 127.57(13) . .
C18 N5 C20 106.85(16) . .
C18 N5 C21 126.01(15) . .
C20 N5 C21 127.14(16) . .
C36 N6 C37 106.44(17) . .
C36 N6 C29 126.48(19) . .
C37 N6 C29 125.44(19) . .
C36 N7 C38 105.55(17) . .
C36 N7 Co1 125.86(13) . 2_666
C38 N7 Co1 128.58(13) . 2_666
C7 O1 Co1 90.93(9) . .
C7 O2 Co1 88.45(9) . .
C35 O5 Co1 122.01(10) . 1_554
C35 O6 Co1 159.77(14) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O6 2.0178(12) 2_665
Co1 O5 2.0513(12) 1_556
Co1 N4 2.1063(16) .
Co1 N7 2.1575(16) 2_666
Co1 O1 2.1818(13) .
Co1 O2 2.2385(12) .
C1 C6 1.389(2) .
C1 C2 1.392(2) .
C1 C7 1.507(2) .
C2 C3 1.387(2) .
C2 H2 0.9300 .
C3 C4 1.393(2) .
C3 H3 0.9300 .
C4 C5 1.397(2) .
C4 C15 1.4858(19) .
C5 C6 1.389(2) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 O2 1.255(2) .
C7 O1 1.259(2) .
C8 C9 1.389(2) .
C8 C13 1.390(2) .
C8 H8 0.9300 .
C9 C10 1.391(2) .
C9 H9 0.9300 .
C10 C11 1.389(2) .
C10 C14 1.489(2) .
C11 C12 1.386(2) .
C11 H11 0.9300 .
C12 C13 1.401(2) .
C12 H12 0.9300 .
C13 C16 1.4912(19) .
C14 O4 1.257(2) .
C14 O3 1.277(2) .
C15 N3 1.3397(18) .
C15 N1 1.3454(18) .
C16 N2 1.3381(19) .
C16 N1 1.3386(19) .
C17 N2 1.3406(18) .
C17 N3 1.3424(18) .
C17 C28 1.4794(19) .
C18 N4 1.319(2) .
C18 N5 1.341(2) .
C18 H18 0.9300 .
C19 C20 1.347(3) .
C19 N4 1.370(2) .
C19 H19 0.9300 .
C20 N5 1.374(2) .
C20 H20 0.9300 .
C21 N5 1.460(2) .
C21 C22 1.511(2) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.386(3) .
C22 C27 1.397(3) .
C23 C24 1.399(3) .
C23 H23 0.9300 .
C24 C25 1.382(3) .
C24 C29 1.516(3) .
C25 C26 1.381(3) .
C25 H25 0.9300 .
C26 C27 1.385(3) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C31 1.395(2) .
C28 C30 1.399(2) .
C29 N6 1.460(3) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C34 1.387(2) .
C30 H30 0.9300 .
C31 C32 1.382(2) .
C31 H31 0.9300 .
C32 C33 1.395(2) .
C32 H32 0.9300 .
C33 C34 1.396(2) .
C33 C35 1.507(2) .
C34 H34 0.9300 .
C35 O6 1.2410(19) .
C35 O5 1.2605(18) .
C36 N7 1.307(2) .
C36 N6 1.348(3) .
C36 H36 0.9300 .
C37 C38 1.356(3) .
C37 N6 1.376(3) .
C37 H37 0.9300 .
C38 N7 1.372(2) .
C38 H38 0.9300 .
N7 Co1 2.1575(16) 2_666
O5 Co1 2.0513(12) 1_554
O6 Co1 2.0178(12) 2_665
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
C6 C1 C2 C3 -0.7(3) . .
C7 C1 C2 C3 179.05(16) . .
C1 C2 C3 C4 0.0(3) . .
C2 C3 C4 C5 0.6(3) . .
C2 C3 C4 C15 -177.98(15) . .
C3 C4 C5 C6 -0.6(2) . .
C15 C4 C5 C6 178.03(15) . .
C4 C5 C6 C1 -0.1(3) . .
C2 C1 C6 C5 0.7(3) . .
C7 C1 C6 C5 -179.00(15) . .
C6 C1 C7 O2 -175.41(16) . .
C2 C1 C7 O2 4.9(2) . .
C6 C1 C7 O1 5.4(2) . .
C2 C1 C7 O1 -174.37(16) . .
C13 C8 C9 C10 -0.1(3) . .
C8 C9 C10 C11 2.3(3) . .
C8 C9 C10 C14 -177.95(16) . .
C9 C10 C11 C12 -2.5(3) . .
C14 C10 C11 C12 177.74(17) . .
C10 C11 C12 C13 0.5(3) . .
C9 C8 C13 C12 -1.8(3) . .
C9 C8 C13 C16 177.45(16) . .
C11 C12 C13 C8 1.6(3) . .
C11 C12 C13 C16 -177.66(17) . .
C11 C10 C14 O4 -3.6(3) . .
C9 C10 C14 O4 176.69(17) . .
C11 C10 C14 O3 177.36(17) . .
C9 C10 C14 O3 -2.4(2) . .
C3 C4 C15 N3 173.84(15) . .
C5 C4 C15 N3 -4.7(2) . .
C3 C4 C15 N1 -5.2(2) . .
C5 C4 C15 N1 176.23(15) . .
C8 C13 C16 N2 -172.34(16) . .
C12 C13 C16 N2 6.9(2) . .
C8 C13 C16 N1 6.9(2) . .
C12 C13 C16 N1 -173.81(16) . .
N4 C19 C20 N5 0.4(3) . .
N5 C21 C22 C23 -17.5(2) . .
N5 C21 C22 C27 162.37(16) . .
C27 C22 C23 C24 0.9(3) . .
C21 C22 C23 C24 -179.29(17) . .
C22 C23 C24 C25 1.7(3) . .
C22 C23 C24 C29 -178.58(19) . .
C23 C24 C25 C26 -2.8(3) . .
C29 C24 C25 C26 177.5(2) . .
C24 C25 C26 C27 1.2(3) . .
C25 C26 C27 C22 1.4(3) . .
C23 C22 C27 C26 -2.5(3) . .
C21 C22 C27 C26 177.70(18) . .
N2 C17 C28 C31 -2.2(2) . .
N3 C17 C28 C31 177.18(15) . .
N2 C17 C28 C30 -179.60(15) . .
N3 C17 C28 C30 -0.2(2) . .
C25 C24 C29 N6 -164.33(19) . .
C23 C24 C29 N6 16.0(3) . .
C31 C28 C30 C34 -1.7(3) . .
C17 C28 C30 C34 175.73(16) . .
C30 C28 C31 C32 0.8(3) . .
C17 C28 C31 C32 -176.68(16) . .
C28 C31 C32 C33 0.8(3) . .
C31 C32 C33 C34 -1.4(3) . .
C31 C32 C33 C35 175.84(16) . .
C28 C30 C34 C33 1.1(3) . .
C32 C33 C34 C30 0.4(3) . .
C35 C33 C34 C30 -176.80(16) . .
C32 C33 C35 O6 -161.16(17) . .
C34 C33 C35 O6 16.0(2) . .
C32 C33 C35 O5 16.3(2) . .
C34 C33 C35 O5 -166.52(16) . .
N6 C37 C38 N7 0.2(2) . .
N2 C16 N1 C15 -0.3(2) . .
C13 C16 N1 C15 -179.52(14) . .
N3 C15 N1 C16 -1.7(2) . .
C4 C15 N1 C16 177.24(14) . .
N1 C16 N2 C17 1.9(2) . .
C13 C16 N2 C17 -178.92(14) . .
N3 C17 N2 C16 -1.7(2) . .
C28 C17 N2 C16 177.66(14) . .
N1 C15 N3 C17 1.9(2) . .
C4 C15 N3 C17 -177.05(13) . .
N2 C17 N3 C15 -0.1(2) . .
C28 C17 N3 C15 -179.41(14) . .
N5 C18 N4 C19 0.4(2) . .
N5 C18 N4 Co1 169.42(11) . .
C20 C19 N4 C18 -0.5(2) . .
C20 C19 N4 Co1 -169.30(15) . .
O6 Co1 N4 C18 143.72(14) 2_665 .
O5 Co1 N4 C18 28.10(14) 1_556 .
N7 Co1 N4 C18 -19.4(14) 2_666 .
O1 Co1 N4 C18 -124.46(14) . .
O2 Co1 N4 C18 -65.22(14) . .
O6 Co1 N4 C19 -49.72(17) 2_665 .
O5 Co1 N4 C19 -165.34(17) 1_556 .
N7 Co1 N4 C19 147.2(12) 2_666 .
O1 Co1 N4 C19 42.11(17) . .
O2 Co1 N4 C19 101.34(17) . .
N4 C18 N5 C20 -0.2(2) . .
N4 C18 N5 C21 179.06(15) . .
C19 C20 N5 C18 -0.1(2) . .
C19 C20 N5 C21 -179.37(18) . .
C22 C21 N5 C18 -83.9(2) . .
C22 C21 N5 C20 95.2(2) . .
N7 C36 N6 C37 -1.4(2) . .
N7 C36 N6 C29 -167.35(17) . .
C38 C37 N6 C36 0.6(2) . .
C38 C37 N6 C29 166.81(18) . .
C24 C29 N6 C36 77.3(3) . .
C24 C29 N6 C37 -86.1(3) . .
N6 C36 N7 C38 1.5(2) . .
N6 C36 N7 Co1 -177.19(11) . 2_666
C37 C38 N7 C36 -1.0(2) . .
C37 C38 N7 Co1 177.57(13) . 2_666
O2 C7 O1 Co1 0.55(17) . .
C1 C7 O1 Co1 179.76(13) . .
O6 Co1 O1 C7 178.20(11) 2_665 .
O5 Co1 O1 C7 -10.86(18) 1_556 .
N4 Co1 O1 C7 84.94(11) . .
N7 Co1 O1 C7 -92.78(11) 2_666 .
O2 Co1 O1 C7 -0.31(10) . .
O1 C7 O2 Co1 -0.54(17) . .
C1 C7 O2 Co1 -179.74(14) . .
O6 Co1 O2 C7 -2.78(17) 2_665 .
O5 Co1 O2 C7 175.43(10) 1_556 .
N4 Co1 O2 C7 -93.41(11) . .
N7 Co1 O2 C7 88.28(11) 2_666 .
O1 Co1 O2 C7 0.31(10) . .
O6 C35 O5 Co1 -1.3(2) . 1_554
C33 C35 O5 Co1 -178.54(10) . 1_554
O5 C35 O6 Co1 80.3(4) . 2_665
C33 C35 O6 Co1 -102.5(3) . 2_665
