#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/85/7108514.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_7108514
loop_
_publ_author_name
'Ling Qin'
'Jin-Song Hu'
'Ming-Dao Zhang'
'Zi-Jian Guo'
'He-Gen Zheng'
_publ_section_title
;
 Structure-property relationship of homochiral and achiral supramolecular
 isomers obtained by one-pot synthesis
;
_journal_name_full               Chem.Commun.
_journal_page_first              10757
_journal_paper_doi               10.1039/c2cc36003a
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C46 H32 Co N4 O7'
_chemical_formula_sum            'C46 H34 Co N4 O7'
_chemical_formula_weight         813.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           170
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 65'
_symmetry_space_group_name_H-M   'P 65'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   13.5091(7)
_cell_length_b                   13.5091(7)
_cell_length_c                   36.8157(19)
_cell_measurement_reflns_used    10631
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.184
_cell_measurement_theta_min      2.404
_cell_volume                     5818.6(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0865
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            33619
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.502
_exptl_absorpt_correction_T_max  0.8976
_exptl_absorpt_correction_T_min  0.8723
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2526
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.233
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.010(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7694
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0164P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0615
_reflns_number_gt                6593
_reflns_number_total             7694
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc36003a.txt
_cod_data_source_block           qll
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constra' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_Hall     P6(5)
_cod_original_sg_symbol_H-M      'P6(5) '
_cod_database_code               7108514
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'-x, -y, z+1/2'
'y, -x+y, z+1/6'
'x-y, x, z+5/6'
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
C1 C 0.98885(19) 0.69614(19) 0.10715(6) 0.0364(5) Uani 1 1 d .
H1 H 1.0365 0.7751 0.1068 0.044 Uiso 1 1 calc R
C2 C 0.97066(18) 0.64061(18) 0.13971(6) 0.0330(5) Uani 1 1 d .
H2 H 1.0051 0.6815 0.1608 0.040 Uiso 1 1 calc R
C3 C 0.90077(17) 0.52344(17) 0.14102(5) 0.0274(5) Uani 1 1 d .
C4 C 0.85423(18) 0.46733(18) 0.10848(6) 0.0321(5) Uani 1 1 d .
H4 H 0.8086 0.3882 0.1080 0.039 Uiso 1 1 calc R
C5 C 0.87602(18) 0.52938(17) 0.07704(6) 0.0318(5) Uani 1 1 d .
H5 H 0.8435 0.4905 0.0555 0.038 Uiso 1 1 calc R
C6 C 0.87850(17) 0.46131(17) 0.17615(6) 0.0297(5) Uani 1 1 d .
C7 C 0.86904(18) 0.51111(18) 0.20826(6) 0.0330(5) Uani 1 1 d .
H7 H 0.8778 0.5839 0.2081 0.040 Uiso 1 1 calc R
C8 C 0.84653(18) 0.45075(18) 0.24010(6) 0.0326(5) Uani 1 1 d .
C9 C 0.83610(17) 0.34459(18) 0.24188(5) 0.0317(5) Uani 1 1 d .
H9 H 0.8248 0.3079 0.2641 0.038 Uiso 1 1 calc R
C10 C 0.84253(17) 0.29204(17) 0.21021(5) 0.0288(5) Uani 1 1 d .
C11 C 0.86280(17) 0.35091(16) 0.17739(5) 0.0283(5) Uani 1 1 d .
H11 H 0.8659 0.3161 0.1560 0.034 Uiso 1 1 calc R
C12 C 0.81971(17) 0.17283(17) 0.21008(5) 0.0281(5) Uani 1 1 d .
C13 C 0.85767(18) 0.12741(19) 0.23693(6) 0.0345(5) Uani 1 1 d .
H13 H 0.9009 0.1726 0.2563 0.041 Uiso 1 1 calc R
C14 C 0.83082(19) 0.01518(18) 0.23461(6) 0.0343(5) Uani 1 1 d .
H14 H 0.8569 -0.0139 0.2528 0.041 Uiso 1 1 calc R
C15 C 0.73205(18) -0.01077(18) 0.18198(6) 0.0332(5) Uani 1 1 d .
H15 H 0.6887 -0.0578 0.1630 0.040 Uiso 1 1 calc R
C16 C 0.75492(18) 0.10103(18) 0.18234(5) 0.0314(5) Uani 1 1 d .
H16 H 0.7268 0.1276 0.1640 0.038 Uiso 1 1 calc R
C17 C 0.71384(19) 0.44923(17) 0.28066(6) 0.0358(5) Uani 1 1 d .
C18 C 0.6873(2) 0.43596(18) 0.31731(6) 0.0370(5) Uani 1 1 d .
H18 H 0.7450 0.4595 0.3346 0.044 Uiso 1 1 calc R
C19 C 0.5735(2) 0.38714(18) 0.32821(6) 0.0382(6) Uani 1 1 d .
C20 C 0.4892(2) 0.35247(19) 0.30197(6) 0.0399(6) Uani 1 1 d .
H20 H 0.4131 0.3186 0.3092 0.048 Uiso 1 1 calc R
C21 C 0.5155(2) 0.36706(18) 0.26502(6) 0.0359(5) Uani 1 1 d .
C22 C 0.6289(2) 0.41648(18) 0.25473(6) 0.0381(5) Uani 1 1 d .
H22 H 0.6482 0.4278 0.2302 0.046 Uiso 1 1 calc R
C23 C 0.4235(2) 0.32873(19) 0.23725(6) 0.0401(6) Uani 1 1 d .
C24 C 0.3135(2) 0.2406(2) 0.24386(7) 0.0481(6) Uani 1 1 d .
H24 H 0.2946 0.2048 0.2664 0.058 Uiso 1 1 calc R
C25 C 0.2315(3) 0.2057(2) 0.21674(9) 0.0562(8) Uani 1 1 d .
H25 H 0.1581 0.1470 0.2222 0.067 Uiso 1 1 calc R
C26 C 0.3565(2) 0.3348(2) 0.17715(8) 0.0562(7) Uani 1 1 d .
H26 H 0.3729 0.3681 0.1542 0.067 Uiso 1 1 calc R
C27 C 0.4445(2) 0.3767(2) 0.20258(7) 0.0481(6) Uani 1 1 d .
H27 H 0.5169 0.4361 0.1965 0.058 Uiso 1 1 calc R
C28 C 0.5445(2) 0.37217(19) 0.36743(6) 0.0401(5) Uani 1 1 d .
C29 C 0.6178(3) 0.4468(2) 0.39306(6) 0.0520(7) Uani 1 1 d .
H29 H 0.6874 0.5088 0.3860 0.062 Uiso 1 1 calc R
C30 C 0.5878(3) 0.4295(2) 0.42960(7) 0.0592(8) Uani 1 1 d .
H30 H 0.6382 0.4816 0.4465 0.071 Uiso 1 1 calc R
C31 C 0.4203(2) 0.2712(2) 0.41669(7) 0.0542(7) Uani 1 1 d .
H31 H 0.3513 0.2099 0.4245 0.065 Uiso 1 1 calc R
C32 C 0.4425(2) 0.2819(2) 0.37984(6) 0.0468(6) Uani 1 1 d .
H32 H 0.3896 0.2293 0.3636 0.056 Uiso 1 1 calc R
C33 C 0.9658(2) 0.62285(19) -0.01809(6) 0.0357(5) Uani 1 1 d .
C34 C 0.97302(19) 0.56347(18) -0.05123(6) 0.0336(5) Uani 1 1 d .
C35 C 1.0719(2) 0.6156(2) -0.07216(7) 0.0427(6) Uani 1 1 d .
H35 H 1.1342 0.6840 -0.0645 0.051 Uiso 1 1 calc R
C36 C 1.46147(19) 1.58016(18) 0.10390(6) 0.0372(5) Uani 1 1 d .
H36 H 1.4265 1.6120 0.1176 0.045 Uiso 1 1 calc R
C37 C 1.4115(2) 1.52307(19) 0.07227(6) 0.0414(6) Uani 1 1 d .
H37 H 1.3421 1.5149 0.0647 0.050 Uiso 1 1 calc R
C38 C 1.4644(2) 1.47828(18) 0.05193(6) 0.0402(6) Uani 1 1 d .
C39 C 1.5663(2) 1.4884(2) 0.06242(7) 0.0467(6) Uani 1 1 d .
H39 H 1.6017 1.4584 0.0481 0.056 Uiso 1 1 calc R
C40 C 1.33352(18) 1.30918(17) 0.02197(6) 0.0347(5) Uani 1 1 d .
C41 C 1.31332(19) 1.24668(18) 0.05365(6) 0.0392(6) Uani 1 1 d .
H41 H 1.3530 1.2817 0.0748 0.047 Uiso 1 1 calc R
C42 C 1.23309(18) 1.13130(18) 0.05328(6) 0.0354(5) Uani 1 1 d .
H42 H 1.2198 1.0886 0.0744 0.042 Uiso 1 1 calc R
C43 C 1.17237(17) 1.07834(17) 0.02223(6) 0.0282(5) Uani 1 1 d .
C44 C 1.19287(17) 1.14328(17) -0.00911(6) 0.0313(5) Uani 1 1 d .
H44 H 1.1514 1.1090 -0.0301 0.038 Uiso 1 1 calc R
C45 C 1.27391(18) 1.25796(18) -0.00946(6) 0.0349(5) Uani 1 1 d .
H45 H 1.2883 1.3004 -0.0307 0.042 Uiso 1 1 calc R
C46 C 1.08962(17) 0.95432(17) 0.02234(6) 0.0297(5) Uani 1 1 d .
Co1 Co 0.96116(2) 0.74437(2) 0.031111(7) 0.02847(7) Uani 1 1 d U
N1 N 0.94188(14) 0.64316(14) 0.07587(4) 0.0292(4) Uani 1 1 d .
N2 N 0.4902(2) 0.3418(2) 0.44159(6) 0.0570(6) Uani 1 1 d .
N3 N 0.25015(19) 0.25011(19) 0.18344(7) 0.0571(6) Uani 1 1 d .
N4 N 0.76878(14) -0.05458(14) 0.20740(4) 0.0301(4) Uani 1 1 d .
O1 O 0.82811(13) 0.49712(12) 0.27169(4) 0.0399(4) Uani 1 1 d .
O2 O 1.41482(14) 1.42330(13) 0.01924(4) 0.0488(4) Uani 1 1 d .
O3 O 0.86938(13) 0.60112(13) -0.00625(4) 0.0411(4) Uani 1 1 d U
O4 O 1.05573(14) 0.69693(13) -0.00288(4) 0.0477(4) Uani 1 1 d .
O5 O 1.02540(12) 0.90720(12) -0.00428(4) 0.0353(3) Uani 1 1 d .
O6 O 1.08650(12) 0.89684(11) 0.05032(4) 0.0359(4) Uani 1 1 d .
O1W O 0.03118(19) 0.1359(2) 0.14240(6) 0.1011(9) Uani 1 1 d .
H1WD H 0.0782 0.1523 0.1598 0.121 Uiso 1 1 d R
H1WA H -0.0259 0.0694 0.1457 0.152 Uiso 1 1 d 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
N1 C1 C2 123.6(2) . .
N1 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C1 C2 C3 119.4(2) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C2 C3 C4 117.33(19) . .
C2 C3 C6 120.45(18) . .
C4 C3 C6 122.21(19) . .
C5 C4 C3 119.6(2) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
N1 C5 C4 123.1(2) . .
N1 C5 H5 118.5 . .
C4 C5 H5 118.5 . .
C7 C6 C11 118.96(19) . .
C7 C6 C3 120.33(18) . .
C11 C6 C3 120.68(18) . .
C8 C7 C6 118.88(19) . .
C8 C7 H7 120.6 . .
C6 C7 H7 120.6 . .
C9 C8 C7 122.6(2) . .
C9 C8 O1 118.67(19) . .
C7 C8 O1 118.65(19) . .
C8 C9 C10 119.6(2) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C9 C10 C11 118.65(19) . .
C9 C10 C12 121.73(18) . .
C11 C10 C12 119.45(18) . .
C10 C11 C6 121.18(18) . .
C10 C11 H11 119.4 . .
C6 C11 H11 119.4 . .
C16 C12 C13 117.44(19) . .
C16 C12 C10 118.76(18) . .
C13 C12 C10 123.78(19) . .
C14 C13 C12 119.4(2) . .
C14 C13 H13 120.3 . .
C12 C13 H13 120.3 . .
N4 C14 C13 123.26(19) . .
N4 C14 H14 118.4 . .
C13 C14 H14 118.4 . .
N4 C15 C16 123.4(2) . .
N4 C15 H15 118.3 . .
C16 C15 H15 118.3 . .
C12 C16 C15 119.48(19) . .
C12 C16 H16 120.3 . .
C15 C16 H16 120.3 . .
O1 C17 C22 122.55(19) . .
O1 C17 C18 116.7(2) . .
C22 C17 C18 120.7(2) . .
C17 C18 C19 119.6(2) . .
C17 C18 H18 120.2 . .
C19 C18 H18 120.2 . .
C20 C19 C18 119.0(2) . .
C20 C19 C28 121.1(2) . .
C18 C19 C28 119.9(2) . .
C19 C20 C21 121.6(2) . .
C19 C20 H20 119.2 . .
C21 C20 H20 119.2 . .
C22 C21 C20 118.5(2) . .
C22 C21 C23 120.7(2) . .
C20 C21 C23 120.7(2) . .
C17 C22 C21 120.4(2) . .
C17 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C24 C23 C27 116.3(2) . .
C24 C23 C21 121.9(2) . .
C27 C23 C21 121.7(2) . .
C23 C24 C25 119.8(2) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
N3 C25 C24 124.8(3) . .
N3 C25 H25 117.6 . .
C24 C25 H25 117.6 . .
N3 C26 C27 124.5(3) . .
N3 C26 H26 117.8 . .
C27 C26 H26 117.8 . .
C26 C27 C23 119.5(2) . .
C26 C27 H27 120.3 . .
C23 C27 H27 120.3 . .
C29 C28 C32 117.0(2) . .
C29 C28 C19 121.6(2) . .
C32 C28 C19 121.3(2) . .
C28 C29 C30 119.8(3) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
N2 C30 C29 123.1(3) . .
N2 C30 H30 118.4 . .
C29 C30 H30 118.4 . .
N2 C31 C32 124.5(3) . .
N2 C31 H31 117.7 . .
C32 C31 H31 117.7 . .
C31 C32 C28 119.0(3) . .
C31 C32 H32 120.5 . .
C28 C32 H32 120.5 . .
O4 C33 O3 120.5(2) . .
O4 C33 C34 119.8(2) . .
O3 C33 C34 119.7(2) . .
C36 C34 C35 119.4(2) 6_644 .
C36 C34 C33 121.4(2) 6_644 .
C35 C34 C33 119.1(2) . .
C39 C35 C34 120.3(2) 6_644 .
C39 C35 H35 119.9 6_644 .
C34 C35 H35 119.9 . .
C37 C36 C34 120.2(2) . 5_675
C37 C36 H36 119.9 . .
C34 C36 H36 119.9 5_675 .
C38 C37 C36 119.6(2) . .
C38 C37 H37 120.2 . .
C36 C37 H37 120.2 . .
C37 C38 C39 121.5(2) . .
C37 C38 O2 119.3(2) . .
C39 C38 O2 119.1(2) . .
C38 C39 C35 119.0(2) . 5_675
C38 C39 H39 120.5 . .
C35 C39 H39 120.5 5_675 .
O2 C40 C45 115.98(19) . .
O2 C40 C41 123.2(2) . .
C45 C40 C41 120.82(19) . .
C42 C41 C40 118.9(2) . .
C42 C41 H41 120.6 . .
C40 C41 H41 120.6 . .
C43 C42 C41 121.3(2) . .
C43 C42 H42 119.3 . .
C41 C42 H42 119.3 . .
C42 C43 C44 118.74(19) . .
C42 C43 C46 120.13(19) . .
C44 C43 C46 121.11(19) . .
C45 C44 C43 120.8(2) . .
C45 C44 H44 119.6 . .
C43 C44 H44 119.6 . .
C44 C45 C40 119.4(2) . .
C44 C45 H45 120.3 . .
C40 C45 H45 120.3 . .
O5 C46 O6 121.22(19) . .
O5 C46 C43 120.90(19) . .
O6 C46 C43 117.89(19) . .
O5 C46 Co1 67.18(11) . .
O6 C46 Co1 54.03(10) . .
C43 C46 Co1 171.91(16) . .
O6 Co1 N1 99.11(6) . .
O6 Co1 N4 97.97(6) . 6_554
N1 Co1 N4 98.17(6) . 6_554
O6 Co1 O4 100.99(6) . .
N1 Co1 O4 99.62(7) . .
N4 Co1 O4 151.48(7) 6_554 .
O6 Co1 O3 159.04(6) . .
N1 Co1 O3 95.04(6) . .
N4 Co1 O3 95.23(6) 6_554 .
O4 Co1 O3 61.18(6) . .
O6 Co1 O5 60.44(5) . .
N1 Co1 O5 159.41(6) . .
N4 Co1 O5 83.41(6) 6_554 .
O4 Co1 O5 87.62(6) . .
O3 Co1 O5 105.30(6) . .
O6 Co1 C46 30.62(6) . .
N1 Co1 C46 129.69(7) . .
N4 Co1 C46 90.62(6) 6_554 .
O4 Co1 C46 94.94(6) . .
O3 Co1 C46 133.53(7) . .
O5 Co1 C46 29.82(6) . .
C1 N1 C5 116.90(18) . .
C1 N1 Co1 117.53(14) . .
C5 N1 Co1 125.15(14) . .
C31 N2 C30 116.4(2) . .
C25 N3 C26 115.2(2) . .
C15 N4 C14 116.97(18) . .
C15 N4 Co1 116.88(14) . 5
C14 N4 Co1 125.57(14) . 5
C17 O1 C8 113.29(16) . .
C40 O2 C38 115.72(16) . .
C33 O3 Co1 87.06(13) . .
C33 O4 Co1 90.85(13) . .
C46 O5 Co1 82.99(12) . .
C46 O6 Co1 95.35(12) . .
H1WD O1W H1WA 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.337(3) .
C1 C2 1.370(3) .
C1 H1 0.9300 .
C2 C3 1.380(3) .
C2 H2 0.9300 .
C3 C4 1.389(3) .
C3 C6 1.488(3) .
C4 C5 1.372(3) .
C4 H4 0.9300 .
C5 N1 1.337(2) .
C5 H5 0.9300 .
C6 C7 1.397(3) .
C6 C11 1.398(3) .
C7 C8 1.372(3) .
C7 H7 0.9300 .
C8 C9 1.371(3) .
C8 O1 1.401(2) .
C9 C10 1.390(3) .
C9 H9 0.9300 .
C10 C11 1.396(3) .
C10 C12 1.480(3) .
C11 H11 0.9300 .
C12 C16 1.379(3) .
C12 C13 1.390(3) .
C13 C14 1.374(3) .
C13 H13 0.9300 .
C14 N4 1.343(3) .
C14 H14 0.9300 .
C15 N4 1.329(2) .
C15 C16 1.382(3) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 O1 1.383(3) .
C17 C22 1.384(3) .
C17 C18 1.385(3) .
C18 C19 1.395(3) .
C18 H18 0.9300 .
C19 C20 1.384(3) .
C19 C28 1.483(3) .
C20 C21 1.395(3) .
C20 H20 0.9300 .
C21 C22 1.383(3) .
C21 C23 1.488(3) .
C22 H22 0.9300 .
C23 C24 1.384(3) .
C23 C27 1.395(3) .
C24 C25 1.387(4) .
C24 H24 0.9300 .
C25 N3 1.332(3) .
C25 H25 0.9300 .
C26 N3 1.336(3) .
C26 C27 1.392(3) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.375(3) .
C28 C32 1.384(3) .
C29 C30 1.391(3) .
C29 H29 0.9300 .
C30 N2 1.331(3) .
C30 H30 0.9300 .
C31 N2 1.320(3) .
C31 C32 1.381(3) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 O4 1.255(3) .
C33 O3 1.261(2) .
C33 C34 1.490(3) .
C34 C36 1.381(3) 6_644
C34 C35 1.390(3) .
C35 C39 1.378(3) 6_644
C35 H35 0.9300 .
C36 C37 1.373(3) .
C36 C34 1.381(3) 5_675
C36 H36 0.9300 .
C37 C38 1.368(3) .
C37 H37 0.9300 .
C38 C39 1.369(3) .
C38 O2 1.397(2) .
C39 C35 1.378(3) 5_675
C39 H39 0.9300 .
C40 O2 1.378(2) .
C40 C45 1.382(3) .
C40 C41 1.385(3) .
C41 C42 1.384(3) .
C41 H41 0.9300 .
C42 C43 1.380(3) .
C42 H42 0.9300 .
C43 C44 1.391(3) .
C43 C46 1.478(3) .
C44 C45 1.379(3) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 O5 1.252(2) .
C46 O6 1.278(2) .
C46 Co1 2.498(2) .
Co1 O6 2.0303(14) .
Co1 N1 2.0728(17) .
Co1 N4 2.0770(17) 6_554
Co1 O4 2.1040(15) .
Co1 O3 2.1851(15) .
Co1 O5 2.3196(14) .
N4 Co1 2.0770(17) 5
O1W H1WD 0.8498 .
O1W H1WA 0.8500 .
