#------------------------------------------------------------------------------
#$Date: 2017-03-05 07:14:08 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193819 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/16/7041642.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_7041642
loop_
_publ_author_name
'Ma, Ranran'
'Chen, Zhiwei'
'Cao, Fan'
'Wang, Suna'
'Huang, Xianqiang'
'Li, Yunwu'
'Lu, Jing'
'Li, Dacheng'
'Dou, Jianmin'
_publ_section_title
;
 Two 2-D multifunctional cobalt(ii) compounds: field-induced single-ion
 magnetism and catalytic oxidation of benzylic C-H bonds.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2137
_journal_page_last               2145
_journal_paper_doi               10.1039/c6dt04551k
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C39 H27 Co N3 O8'
_chemical_formula_weight         724.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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
_audit_update_record
;
2016-11-02 deposited with the CCDC.
2017-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                91.9290(10)
_cell_angle_beta                 106.802(2)
_cell_angle_gamma                100.302(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8280(8)
_cell_length_b                   13.1261(11)
_cell_length_c                   14.0239(12)
_cell_measurement_reflns_used    2041
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.4385
_cell_measurement_theta_min      2.268
_cell_volume                     1697.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0854
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8695
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.565
_exptl_absorpt_correction_T_max  0.9150
_exptl_absorpt_correction_T_min  0.8355
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         5888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1005
_refine_ls_R_factor_gt           0.0604
_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)+(0.0704P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1444
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                3596
_reflns_number_total             5888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04551k2.cif
_cod_data_source_block           150919e
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 7041641--7041642.cif.
;
_cod_original_sg_symbol_Hall     '-P 1   '
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7041642
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 1.00010(6) 0.23636(5) 0.92780(4) 0.0386(2) Uani 1 1 d .
O1 O 1.1075(3) 0.3420(2) 0.8550(2) 0.0479(8) Uani 1 1 d .
O2 O 1.1900(3) 0.1987(3) 0.8834(2) 0.0525(8) Uani 1 1 d .
O3 O 1.2561(3) 0.4931(2) 0.7696(2) 0.0498(8) Uani 1 1 d .
O4 O 0.8647(4) 0.2855(3) 0.4722(2) 0.0605(9) Uani 1 1 d .
O5 O 0.6841(3) 0.3730(3) 0.4432(2) 0.0593(9) Uani 1 1 d .
H5 H 0.6469 0.3283 0.3960 0.089 Uiso 1 1 calc R
O6 O 0.8513(3) 0.6593(2) 0.7246(2) 0.0496(8) Uani 1 1 d .
O7 O 0.8792(3) 0.7372(2) 0.9166(2) 0.0481(8) Uani 1 1 d .
O8 O 1.0566(4) 0.8702(2) 0.9692(2) 0.0559(9) Uani 1 1 d .
N1 N 0.8527(4) 0.1502(3) 0.7996(3) 0.0405(9) Uani 1 1 d .
N2 N 0.8502(4) 0.3260(3) 0.9417(3) 0.0405(9) Uani 1 1 d .
N3 N 0.4170(4) 0.7532(3) 0.7273(3) 0.0472(10) Uani 1 1 d .
C1 C 1.1932(4) 0.2840(4) 0.8456(3) 0.0390(10) Uani 1 1 d .
C2 C 1.2938(5) 0.3141(4) 0.7840(3) 0.0436(11) Uani 1 1 d .
C3 C 1.3691(5) 0.2399(4) 0.7620(4) 0.0631(15) Uani 1 1 d .
H3 H 1.3530 0.1746 0.7851 0.076 Uiso 1 1 calc R
C4 C 1.4655(7) 0.2595(5) 0.7078(5) 0.086(2) Uani 1 1 d .
H4 H 1.5160 0.2093 0.6959 0.103 Uiso 1 1 calc R
C5 C 1.4859(7) 0.3575(6) 0.6707(5) 0.092(2) Uani 1 1 d .
H5A H 1.5491 0.3714 0.6324 0.110 Uiso 1 1 calc R
C6 C 1.4130(6) 0.4349(5) 0.6900(4) 0.0739(17) Uani 1 1 d .
H6 H 1.4275 0.4997 0.6655 0.089 Uiso 1 1 calc R
C7 C 1.3182(5) 0.4118(4) 0.7469(3) 0.0481(12) Uani 1 1 d .
C8 C 1.1151(5) 0.4974(3) 0.7140(3) 0.0418(11) Uani 1 1 d .
C9 C 1.0365(5) 0.4270(3) 0.6314(3) 0.0397(10) Uani 1 1 d .
H9 H 1.0771 0.3750 0.6103 0.048 Uiso 1 1 calc R
C10 C 0.8957(5) 0.4371(3) 0.5815(3) 0.0403(11) Uani 1 1 d .
C11 C 0.8321(5) 0.5150(3) 0.6094(3) 0.0417(11) Uani 1 1 d .
H11 H 0.7379 0.5206 0.5749 0.050 Uiso 1 1 calc R
C12 C 0.9151(5) 0.5840(3) 0.6909(3) 0.0404(11) Uani 1 1 d .
C13 C 1.0561(5) 0.5766(3) 0.7442(3) 0.0426(11) Uani 1 1 d .
H13 H 1.1095 0.6238 0.7988 0.051 Uiso 1 1 calc R
C14 C 0.8142(5) 0.3574(4) 0.4930(3) 0.0429(11) Uani 1 1 d .
C15 C 0.9049(4) 0.7622(3) 0.7110(3) 0.0401(11) Uani 1 1 d .
C16 C 0.9031(6) 0.7869(4) 0.6157(4) 0.0619(14) Uani 1 1 d .
H16 H 0.8693 0.7359 0.5621 0.074 Uiso 1 1 calc R
C17 C 0.9533(7) 0.8903(5) 0.6017(4) 0.0758(17) Uani 1 1 d .
H17 H 0.9504 0.9085 0.5377 0.091 Uiso 1 1 calc R
C18 C 1.0080(6) 0.9667(4) 0.6829(4) 0.0636(14) Uani 1 1 d .
H18 H 1.0433 1.0348 0.6729 0.076 Uiso 1 1 calc R
C19 C 1.0094(5) 0.9406(3) 0.7787(4) 0.0476(12) Uani 1 1 d .
H19 H 1.0457 0.9911 0.8326 0.057 Uiso 1 1 calc R
C20 C 0.9555(4) 0.8370(3) 0.7937(3) 0.0386(10) Uani 1 1 d .
C21 C 0.9631(5) 0.8133(3) 0.8989(3) 0.0387(10) Uani 1 1 d .
C22 C 0.8554(5) 0.4217(3) 0.9119(3) 0.0452(11) Uani 1 1 d .
H22 H 0.9269 0.4474 0.8828 0.054 Uiso 1 1 calc R
C23 C 0.7598(5) 0.4858(4) 0.9216(3) 0.0483(12) Uani 1 1 d .
H23 H 0.7678 0.5520 0.8994 0.058 Uiso 1 1 calc R
C24 C 0.6518(5) 0.4480(3) 0.9656(3) 0.0418(11) Uani 1 1 d .
C25 C 0.6436(5) 0.3476(4) 0.9936(4) 0.0522(12) Uani 1 1 d .
H25 H 0.5710 0.3190 1.0208 0.063 Uiso 1 1 calc R
C26 C 0.7434(5) 0.2891(4) 0.9813(4) 0.0524(12) Uani 1 1 d .
H26 H 0.7361 0.2219 1.0011 0.063 Uiso 1 1 calc R
C27 C 0.8403(5) 0.1811(4) 0.7074(3) 0.0493(12) Uani 1 1 d .
H27 H 0.9044 0.2398 0.7007 0.059 Uiso 1 1 calc R
C28 C 0.7358(5) 0.1294(4) 0.6213(4) 0.0521(12) Uani 1 1 d .
H28 H 0.7313 0.1530 0.5589 0.063 Uiso 1 1 calc R
C29 C 0.6387(5) 0.0421(4) 0.6304(3) 0.0469(12) Uani 1 1 d .
C30 C 0.5213(5) -0.0153(4) 0.5431(3) 0.0558(13) Uani 1 1 d .
H30 H 0.4744 -0.0804 0.5529 0.067 Uiso 1 1 calc R
C31 C 0.6516(5) 0.0108(4) 0.7261(3) 0.0571(14) Uani 1 1 d .
H31 H 0.5870 -0.0465 0.7349 0.069 Uiso 1 1 calc R
C32 C 0.7592(5) 0.0641(4) 0.8076(3) 0.0494(12) Uani 1 1 d .
H32 H 0.7679 0.0401 0.8703 0.059 Uiso 1 1 calc R
C33 C 0.5521(4) 0.5139(4) 0.9786(3) 0.0439(11) Uani 1 1 d .
H33 H 0.5619 0.5795 0.9553 0.053 Uiso 1 1 calc R
C34 C 0.3597(5) 0.8853(4) 0.8256(3) 0.0524(13) Uani 1 1 d .
H34 H 0.2956 0.9274 0.8322 0.063 Uiso 1 1 calc R
C35 C 0.3264(5) 0.8152(4) 0.7399(3) 0.0518(13) Uani 1 1 d .
H35 H 0.2389 0.8116 0.6901 0.062 Uiso 1 1 calc R
C36 C 0.5416(5) 0.7576(4) 0.7999(3) 0.0475(12) Uani 1 1 d .
H36 H 0.6029 0.7138 0.7917 0.057 Uiso 1 1 calc R
C37 C 0.5845(5) 0.8250(3) 0.8879(3) 0.0410(11) Uani 1 1 d .
H37 H 0.6726 0.8263 0.9363 0.049 Uiso 1 1 calc R
C38 C 0.4921(4) 0.8901(3) 0.9012(3) 0.0383(10) Uani 1 1 d .
C39 C 0.5366(5) 0.9640(3) 0.9910(3) 0.0464(11) Uani 1 1 d .
H39 H 0.6229 0.9606 1.0394 0.056 Uiso 1 1 calc R
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
O1 Co1 N2 95.88(13) . .
O1 Co1 N1 96.94(13) . .
N2 Co1 N1 91.92(13) . .
O1 Co1 O7 106.51(12) . 2_767
N2 Co1 O7 93.81(12) . 2_767
N1 Co1 O7 155.12(13) . 2_767
O1 Co1 O8 165.12(12) . 2_767
N2 Co1 O8 92.50(13) . 2_767
N1 Co1 O8 95.04(13) . 2_767
O7 Co1 O8 60.55(11) 2_767 2_767
O1 Co1 O2 60.42(11) . .
N2 Co1 O2 156.30(13) . .
N1 Co1 O2 91.46(12) . .
O7 Co1 O2 92.93(11) 2_767 .
O8 Co1 O2 110.56(12) 2_767 .
O1 Co1 C21 136.88(14) . 2_767
N2 Co1 C21 91.66(13) . 2_767
N1 Co1 C21 125.23(15) . 2_767
O7 Co1 C21 30.47(12) 2_767 2_767
O8 Co1 C21 30.20(12) 2_767 2_767
O2 Co1 C21 105.40(12) . 2_767
C1 O1 Co1 93.7(3) . .
C1 O2 Co1 85.4(3) . .
C7 O3 C8 119.2(3) . .
C14 O5 H5 109.5 . .
C12 O6 C15 115.8(3) . .
C21 O7 Co1 89.7(2) . 2_767
C21 O8 Co1 89.1(3) . 2_767
C27 N1 C32 117.5(4) . .
C27 N1 Co1 122.0(3) . .
C32 N1 Co1 120.4(3) . .
C22 N2 C26 117.1(4) . .
C22 N2 Co1 121.8(3) . .
C26 N2 Co1 121.1(3) . .
C36 N3 C35 118.5(4) . .
O2 C1 O1 120.3(4) . .
O2 C1 C2 119.6(4) . .
O1 C1 C2 119.9(4) . .
C3 C2 C7 117.5(4) . .
C3 C2 C1 117.8(4) . .
C7 C2 C1 124.7(4) . .
C4 C3 C2 122.8(5) . .
C4 C3 H3 118.6 . .
C2 C3 H3 118.6 . .
C3 C4 C5 118.2(6) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
C6 C5 C4 121.5(6) . .
C6 C5 H5A 119.2 . .
C4 C5 H5A 119.2 . .
C7 C6 C5 118.1(6) . .
C7 C6 H6 121.0 . .
C5 C6 H6 121.0 . .
O3 C7 C6 115.8(5) . .
O3 C7 C2 122.2(4) . .
C6 C7 C2 121.9(5) . .
C13 C8 O3 116.4(4) . .
C13 C8 C9 121.2(4) . .
O3 C8 C9 122.4(4) . .
C10 C9 C8 118.0(4) . .
C10 C9 H9 121.0 . .
C8 C9 H9 121.0 . .
C11 C10 C9 122.8(4) . .
C11 C10 C14 121.4(4) . .
C9 C10 C14 115.8(4) . .
C12 C11 C10 117.1(4) . .
C12 C11 H11 121.4 . .
C10 C11 H11 121.4 . .
C11 C12 C13 122.4(4) . .
C11 C12 O6 118.5(4) . .
C13 C12 O6 119.0(4) . .
C8 C13 C12 118.5(4) . .
C8 C13 H13 120.7 . .
C12 C13 H13 120.7 . .
O4 C14 O5 123.7(4) . .
O4 C14 C10 121.9(4) . .
O5 C14 C10 114.3(4) . .
C16 C15 O6 118.5(4) . .
C16 C15 C20 122.3(4) . .
O6 C15 C20 119.2(4) . .
C15 C16 C17 118.5(5) . .
C15 C16 H16 120.7 . .
C17 C16 H16 120.7 . .
C16 C17 C18 120.8(5) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C19 C18 C17 120.0(5) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 119.9(5) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C15 C20 C19 118.5(4) . .
C15 C20 C21 124.2(4) . .
C19 C20 C21 117.3(4) . .
O8 C21 O7 120.2(4) . .
O8 C21 C20 118.4(4) . .
O7 C21 C20 121.3(4) . .
O8 C21 Co1 60.7(2) . 2_767
O7 C21 Co1 59.9(2) . 2_767
C20 C21 Co1 173.1(3) . 2_767
N2 C22 C23 124.1(4) . .
N2 C22 H22 118.0 . .
C23 C22 H22 118.0 . .
C22 C23 C24 118.4(4) . .
C22 C23 H23 120.8 . .
C24 C23 H23 120.8 . .
C25 C24 C23 117.5(4) . .
C25 C24 C33 122.8(4) . .
C23 C24 C33 119.7(4) . .
C24 C25 C26 120.3(4) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
N2 C26 C25 122.6(4) . .
N2 C26 H26 118.7 . .
C25 C26 H26 118.7 . .
N1 C27 C28 123.2(4) . .
N1 C27 H27 118.4 . .
C28 C27 H27 118.4 . .
C29 C28 C27 119.0(4) . .
C29 C28 H28 120.5 . .
C27 C28 H28 120.5 . .
C28 C29 C31 117.6(4) . .
C28 C29 C30 122.4(4) . .
C31 C29 C30 120.0(4) . .
C30 C30 C29 126.6(6) 2_656 .
C30 C30 H30 116.7 2_656 .
C29 C30 H30 116.7 . .
C32 C31 C29 120.5(4) . .
C32 C31 H31 119.8 . .
C29 C31 H31 119.8 . .
N1 C32 C31 122.3(4) . .
N1 C32 H32 118.9 . .
C31 C32 H32 118.9 . .
C33 C33 C24 124.4(6) 2_667 .
C33 C33 H33 117.8 2_667 .
C24 C33 H33 117.8 . .
C35 C34 C38 118.6(4) . .
C35 C34 H34 120.7 . .
C38 C34 H34 120.7 . .
N3 C35 C34 122.5(4) . .
N3 C35 H35 118.8 . .
C34 C35 H35 118.8 . .
N3 C36 C37 123.2(4) . .
N3 C36 H36 118.4 . .
C37 C36 H36 118.4 . .
C38 C37 C36 118.7(4) . .
C38 C37 H37 120.7 . .
C36 C37 H37 120.7 . .
C37 C38 C34 118.5(4) . .
C37 C38 C39 119.8(4) . .
C34 C38 C39 121.7(4) . .
C39 C39 C38 125.7(6) 2_677 .
C39 C39 H39 117.2 2_677 .
C38 C39 H39 117.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.068(3) .
Co1 N2 2.089(3) .
Co1 N1 2.094(3) .
Co1 O7 2.144(3) 2_767
Co1 O8 2.163(3) 2_767
Co1 O2 2.257(3) .
Co1 C21 2.479(4) 2_767
O1 C1 1.263(5) .
O2 C1 1.253(5) .
O3 C7 1.390(5) .
O3 C8 1.393(5) .
O4 C14 1.206(5) .
O5 C14 1.323(5) .
O5 H5 0.8200 .
O6 C12 1.399(5) .
O6 C15 1.400(5) .
O7 C21 1.257(5) .
O7 Co1 2.144(3) 2_767
O8 C21 1.247(5) .
O8 Co1 2.163(3) 2_767
N1 C27 1.346(5) .
N1 C32 1.353(5) .
N2 C22 1.334(5) .
N2 C26 1.347(5) .
N3 C36 1.338(5) .
N3 C35 1.351(6) .
C1 C2 1.502(6) .
C2 C3 1.401(6) .
C2 C7 1.407(6) .
C3 C4 1.373(7) .
C3 H3 0.9300 .
C4 C5 1.407(8) .
C4 H4 0.9300 .
C5 C6 1.405(8) .
C5 H5A 0.9300 .
C6 C7 1.394(6) .
C6 H6 0.9300 .
C8 C13 1.387(6) .
C8 C9 1.395(6) .
C9 C10 1.391(6) .
C9 H9 0.9300 .
C10 C11 1.390(6) .
C10 C14 1.522(6) .
C11 C12 1.384(5) .
C11 H11 0.9300 .
C12 C13 1.394(6) .
C13 H13 0.9300 .
C15 C16 1.381(6) .
C15 C20 1.404(5) .
C16 C17 1.399(7) .
C16 H16 0.9300 .
C17 C18 1.404(7) .
C17 H17 0.9300 .
C18 C19 1.394(7) .
C18 H18 0.9300 .
C19 C20 1.413(6) .
C19 H19 0.9300 .
C20 C21 1.502(6) .
C21 Co1 2.479(4) 2_767
C22 C23 1.399(6) .
C22 H22 0.9300 .
C23 C24 1.402(6) .
C23 H23 0.9300 .
C24 C25 1.383(6) .
C24 C33 1.461(6) .
C25 C26 1.394(6) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.397(6) .
C27 H27 0.9300 .
C28 C29 1.388(6) .
C28 H28 0.9300 .
C29 C31 1.394(6) .
C29 C30 1.486(6) .
C30 C30 1.264(9) 2_656
C30 H30 0.9300 .
C31 C32 1.378(6) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C33 1.335(8) 2_667
C33 H33 0.9300 .
C34 C35 1.410(6) .
C34 C38 1.411(6) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C37 1.407(6) .
C36 H36 0.9300 .
C37 C38 1.397(6) .
C37 H37 0.9300 .
C38 C39 1.471(6) .
C39 C39 1.344(8) 2_677
C39 H39 0.9300 .
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
N2 Co1 O1 C1 -178.2(2) . .
N1 Co1 O1 C1 -85.6(3) . .
O7 Co1 O1 C1 86.0(3) 2_767 .
O8 Co1 O1 C1 57.9(5) 2_767 .
O2 Co1 O1 C1 2.2(2) . .
C21 Co1 O1 C1 83.0(3) 2_767 .
O1 Co1 O2 C1 -2.2(2) . .
N2 Co1 O2 C1 -3.2(4) . .
N1 Co1 O2 C1 95.0(3) . .
O7 Co1 O2 C1 -109.6(2) 2_767 .
O8 Co1 O2 C1 -169.1(2) 2_767 .
C21 Co1 O2 C1 -137.8(2) 2_767 .
O1 Co1 N1 C27 -8.4(4) . .
N2 Co1 N1 C27 87.8(4) . .
O7 Co1 N1 C27 -168.9(3) 2_767 .
O8 Co1 N1 C27 -179.5(3) 2_767 .
O2 Co1 N1 C27 -68.8(4) . .
C21 Co1 N1 C27 -178.8(3) 2_767 .
O1 Co1 N1 C32 176.0(3) . .
N2 Co1 N1 C32 -87.8(3) . .
O7 Co1 N1 C32 15.5(5) 2_767 .
O8 Co1 N1 C32 4.8(3) 2_767 .
O2 Co1 N1 C32 115.6(3) . .
C21 Co1 N1 C32 5.5(4) 2_767 .
O1 Co1 N2 C22 -3.6(3) . .
N1 Co1 N2 C22 -100.8(3) . .
O7 Co1 N2 C22 103.4(3) 2_767 .
O8 Co1 N2 C22 164.1(3) 2_767 .
O2 Co1 N2 C22 -2.8(5) . .
C21 Co1 N2 C22 133.9(3) 2_767 .
O1 Co1 N2 C26 176.2(3) . .
N1 Co1 N2 C26 79.0(3) . .
O7 Co1 N2 C26 -76.8(3) 2_767 .
O8 Co1 N2 C26 -16.2(3) 2_767 .
O2 Co1 N2 C26 177.0(3) . .
C21 Co1 N2 C26 -46.4(3) 2_767 .
Co1 O2 C1 O1 3.6(4) . .
Co1 O2 C1 C2 -172.9(3) . .
Co1 O1 C1 O2 -4.0(4) . .
Co1 O1 C1 C2 172.5(3) . .
O2 C1 C2 C3 6.9(6) . .
O1 C1 C2 C3 -169.6(4) . .
O2 C1 C2 C7 -172.9(4) . .
O1 C1 C2 C7 10.6(6) . .
C7 C2 C3 C4 1.0(8) . .
C1 C2 C3 C4 -178.9(5) . .
C2 C3 C4 C5 -1.8(9) . .
C3 C4 C5 C6 1.5(10) . .
C4 C5 C6 C7 -0.4(10) . .
C8 O3 C7 C6 100.4(5) . .
C8 O3 C7 C2 -83.3(5) . .
C5 C6 C7 O3 175.9(5) . .
C5 C6 C7 C2 -0.5(8) . .
C3 C2 C7 O3 -175.9(4) . .
C1 C2 C7 O3 4.0(7) . .
C3 C2 C7 C6 0.2(7) . .
C1 C2 C7 C6 -179.9(4) . .
C7 O3 C8 C13 176.1(4) . .
C7 O3 C8 C9 -4.6(6) . .
C13 C8 C9 C10 -1.6(6) . .
O3 C8 C9 C10 179.2(4) . .
C8 C9 C10 C11 1.3(6) . .
C8 C9 C10 C14 -179.1(4) . .
C9 C10 C11 C12 -0.3(6) . .
C14 C10 C11 C12 -179.9(4) . .
C10 C11 C12 C13 -0.5(6) . .
C10 C11 C12 O6 -176.1(4) . .
C15 O6 C12 C11 -112.0(4) . .
C15 O6 C12 C13 72.2(5) . .
O3 C8 C13 C12 -179.9(4) . .
C9 C8 C13 C12 0.8(6) . .
C11 C12 C13 C8 0.3(6) . .
O6 C12 C13 C8 175.8(4) . .
C11 C10 C14 O4 -175.0(4) . .
C9 C10 C14 O4 5.4(6) . .
C11 C10 C14 O5 3.8(6) . .
C9 C10 C14 O5 -175.8(4) . .
C12 O6 C15 C16 55.6(5) . .
C12 O6 C15 C20 -125.7(4) . .
O6 C15 C16 C17 178.4(4) . .
C20 C15 C16 C17 -0.2(8) . .
C15 C16 C17 C18 1.8(8) . .
C16 C17 C18 C19 -1.6(8) . .
C17 C18 C19 C20 -0.1(7) . .
C16 C15 C20 C19 -1.5(7) . .
O6 C15 C20 C19 179.9(3) . .
C16 C15 C20 C21 -178.3(4) . .
O6 C15 C20 C21 3.1(6) . .
C18 C19 C20 C15 1.6(6) . .
C18 C19 C20 C21 178.6(4) . .
Co1 O8 C21 O7 6.8(4) 2_767 .
Co1 O8 C21 C20 -172.2(3) 2_767 .
Co1 O7 C21 O8 -6.9(4) 2_767 .
Co1 O7 C21 C20 172.1(3) 2_767 .
C15 C20 C21 O8 152.1(4) . .
C19 C20 C21 O8 -24.7(6) . .
C15 C20 C21 O7 -26.9(6) . .
C19 C20 C21 O7 156.3(4) . .
C26 N2 C22 C23 1.7(6) . .
Co1 N2 C22 C23 -178.5(3) . .
N2 C22 C23 C24 0.2(7) . .
C22 C23 C24 C25 -2.2(7) . .
C22 C23 C24 C33 178.9(4) . .
C23 C24 C25 C26 2.4(7) . .
C33 C24 C25 C26 -178.7(4) . .
C22 N2 C26 C25 -1.6(7) . .
Co1 N2 C26 C25 178.6(4) . .
C24 C25 C26 N2 -0.4(7) . .
C32 N1 C27 C28 0.6(7) . .
Co1 N1 C27 C28 -175.2(3) . .
N1 C27 C28 C29 0.5(7) . .
C27 C28 C29 C31 -0.1(7) . .
C27 C28 C29 C30 177.9(5) . .
C28 C29 C30 C30 -13.1(10) . 2_656
C31 C29 C30 C30 164.8(7) . 2_656
C28 C29 C31 C32 -1.4(8) . .
C30 C29 C31 C32 -179.4(4) . .
C27 N1 C32 C31 -2.1(7) . .
Co1 N1 C32 C31 173.7(4) . .
C29 C31 C32 N1 2.5(8) . .
C25 C24 C33 C33 2.7(9) . 2_667
C23 C24 C33 C33 -178.5(5) . 2_667
C36 N3 C35 C34 1.1(7) . .
C38 C34 C35 N3 -0.4(7) . .
C35 N3 C36 C37 -1.3(7) . .
N3 C36 C37 C38 0.8(7) . .
C36 C37 C38 C34 0.0(6) . .
C36 C37 C38 C39 -177.9(4) . .
C35 C34 C38 C37 -0.1(6) . .
C35 C34 C38 C39 177.7(4) . .
C37 C38 C39 C39 174.6(6) . 2_677
C34 C38 C39 C39 -3.2(9) . 2_677
