#------------------------------------------------------------------------------
#$Date: 2019-11-28 22:00:31 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244746 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/95/7239524.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_7239524
loop_
_publ_author_name
'Meng, Fanli'
'Fang, Zhiguo'
'Li, Zuoxi'
'Xu, Weiwei'
'Wang, Mengjiao'
'Liu, Yanping'
'Zhang, Ji'
'Wang, Wanren'
'Zhao, Dongyuan'
'Guo, Xiaohui'
_publ_section_title
;
 Porous Co3O4 materials prepared by solid-state thermolysis of a novel
 Co-MOF crystal and their superior energy storage performances for
 supercapacitors
;
_journal_issue                   24
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              7235
_journal_paper_doi               10.1039/c3ta11054k
_journal_volume                  1
_journal_year                    2013
_chemical_formula_sum            'C60 H42 Co3 N9 O23'
_chemical_formula_weight         1433.82
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        '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
_cell_angle_alpha                98.208(2)
_cell_angle_beta                 99.762(2)
_cell_angle_gamma                108.660(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4215(12)
_cell_length_b                   13.8731(15)
_cell_length_c                   20.777(2)
_cell_measurement_temperature    296(2)
_cell_volume                     3004.7(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 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0728
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16360
_diffrn_reflns_theta_full        26.18
_diffrn_reflns_theta_max         26.18
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.910
_exptl_absorpt_correction_T_max  0.8786
_exptl_absorpt_correction_T_min  0.7707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.322
_refine_diff_density_min         -0.552
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     870
_refine_ls_number_reflns         11614
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0570
_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)+(0.1000P)²+0.6454P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1493
_refine_ls_wR_factor_ref         0.1796
_reflns_number_gt                7876
_reflns_number_total             11614
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ta11054k.txt
_cod_data_source_block           xb6086_0m
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7239524
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 0.64544(6) -0.41464(4) 0.41745(3) 0.02866(16) Uani 1 1 d .
Co2 Co 0.30529(6) -0.09719(4) 0.73806(3) 0.03001(17) Uani 1 1 d .
Co3 Co 0.02842(6) 0.25959(4) 0.09910(3) 0.02933(17) Uani 1 1 d .
N1 N 0.7983(3) -0.2660(3) 0.44388(17) 0.0321(8) Uani 1 1 d .
N2 N 0.3224(5) -0.0665(4) 0.3871(2) 0.0584(12) Uani 1 1 d U
N3 N 0.2837(5) -0.0011(4) 0.4038(2) 0.0643(13) Uani 1 1 d U
N4 N 0.1808(4) 0.4064(3) 0.13523(17) 0.0329(8) Uani 1 1 d .
N5 N 0.5530(3) 0.9444(3) 0.24077(18) 0.0334(8) Uani 1 1 d .
N6 N -0.3890(4) 0.6294(3) 0.08537(18) 0.0351(9) Uani 1 1 d .
N7 N -0.3786(4) 0.6260(3) 0.02635(18) 0.0373(9) Uani 1 1 d .
N8 N -0.0044(4) 0.2560(3) -0.29025(18) 0.0392(10) Uani 1 1 d .
N9 N -0.0442(4) 0.3300(3) -0.28319(18) 0.0387(9) Uani 1 1 d .
O1 O 0.4937(4) -0.5555(3) 0.39534(18) 0.0484(10) Uani 1 1 d .
H1O1 H 0.481(6) -0.576(5) 0.419(3) 0.058 Uiso 1 1 d .
H2O1 H 0.486(5) -0.609(4) 0.360(3) 0.058 Uiso 1 1 d .
O2 O 0.5232(3) -0.3300(2) 0.39455(14) 0.0373(8) Uani 1 1 d .
O3 O 0.5628(3) -0.3522(2) 0.49748(14) 0.0353(7) Uani 1 1 d .
O4 O 0.3886(3) -0.1674(2) 0.66903(15) 0.0399(8) Uani 1 1 d .
O5 O 0.2666(3) -0.0834(2) 0.63382(14) 0.0372(7) Uani 1 1 d .
O6 O 0.1454(4) -0.2367(3) 0.7201(2) 0.0557(11) Uani 1 1 d .
H1O6 H 0.101(6) -0.231(5) 0.744(3) 0.067 Uiso 1 1 d .
H2O6 H 0.167(5) -0.295(4) 0.713(3) 0.067 Uiso 1 1 d .
O7 O 0.1307(4) 0.1656(3) 0.13361(17) 0.0543(10) Uani 1 1 d .
O8 O 0.0373(3) 0.2309(3) 0.20193(16) 0.0436(8) Uani 1 1 d .
O9 O -0.1336(4) 0.1302(3) 0.0528(2) 0.0786(14) Uani 1 1 d D
H9B H -0.1830 0.1115 0.0786 0.094 Uiso 1 1 d RD
H9C H -0.1169 0.0790 0.0343 0.094 Uiso 1 1 d RD
O10 O -0.0939(3) 0.3375(2) 0.11694(15) 0.0412(8) Uani 1 1 d .
O11 O -0.1338(4) 0.4050(3) 0.02840(16) 0.0674(13) Uani 1 1 d .
H11 H -0.0952 0.3699 0.0132 0.101 Uiso 1 1 calc R
O12 O -0.2365(4) 0.4415(3) 0.31446(15) 0.0519(10) Uani 1 1 d .
H12B H -0.2393 0.4458 0.3539 0.078 Uiso 1 1 calc R
O13 O -0.3261(3) 0.5632(2) 0.32181(14) 0.0382(8) Uani 1 1 d .
O14 O -0.6008(4) 0.8535(3) -0.18625(16) 0.0497(9) Uani 1 1 d .
O15 O -0.6333(4) 0.9277(3) -0.09344(19) 0.0712(13) Uani 1 1 d .
O16 O 0.0667(3) 0.2487(2) 0.00497(14) 0.0373(7) Uani 1 1 d .
O17 O -0.0709(4) 0.3043(3) -0.05378(16) 0.0702(13) Uani 1 1 d .
O18 O 0.2720(4) 0.0507(3) -0.12424(16) 0.0616(11) Uani 1 1 d .
H18B H 0.2940 -0.0002 -0.1254 0.092 Uiso 1 1 calc R
O19 O 0.1873(3) -0.0179(2) -0.23294(15) 0.0393(8) Uani 1 1 d .
O20 O -0.1914(4) 0.4113(3) -0.57352(16) 0.0535(10) Uani 1 1 d .
O21 O -0.2449(4) 0.5323(3) -0.51703(15) 0.0466(9) Uani 1 1 d .
O22 O 0.4690(4) 0.2891(3) 0.28986(18) 0.0554(10) Uani 1 1 d .
O23 O -0.2024(8) -0.0423(5) -0.0412(4) 0.169(3) Uani 1 1 d .
C1 C 0.8865(5) -0.2333(4) 0.5003(2) 0.0427(12) Uani 1 1 d .
H1 H 0.8931 -0.2817 0.5260 0.051 Uiso 1 1 calc R
C2 C 0.9700(5) -0.1312(4) 0.5237(2) 0.0475(13) Uani 1 1 d .
H2 H 1.0320 -0.1138 0.5630 0.057 Uiso 1 1 calc R
C3 C 0.9606(4) -0.0549(3) 0.4880(2) 0.0326(10) Uani 1 1 d .
C4 C 0.8705(5) -0.0905(4) 0.4268(2) 0.0481(13) Uani 1 1 d .
H4 H 0.8612 -0.0444 0.3997 0.058 Uiso 1 1 calc R
C5 C 0.7959(5) -0.1944(4) 0.4074(2) 0.0472(13) Uani 1 1 d .
H5 H 0.7397 -0.2164 0.3657 0.057 Uiso 1 1 calc R
C6 C 0.5140(4) -0.3114(3) 0.4549(2) 0.0283(9) Uani 1 1 d .
C7 C 0.4502(4) -0.2364(3) 0.4745(2) 0.0289(9) Uani 1 1 d .
C8 C 0.4305(4) -0.2172(3) 0.5384(2) 0.0288(9) Uani 1 1 d .
H8 H 0.4581 -0.2508 0.5703 0.035 Uiso 1 1 calc R
C9 C 0.3692(4) -0.1475(3) 0.5553(2) 0.0282(9) Uani 1 1 d .
C10 C 0.3330(4) -0.0950(3) 0.5083(2) 0.0360(11) Uani 1 1 d .
H10 H 0.2939 -0.0476 0.5195 0.043 Uiso 1 1 calc R
C11 C 0.3547(5) -0.1128(4) 0.4445(2) 0.0416(11) Uani 1 1 d U
C12 C 0.4123(4) -0.1842(4) 0.4277(2) 0.0379(11) Uani 1 1 d .
H12 H 0.4254 -0.1969 0.3848 0.045 Uiso 1 1 calc R
C13 C 0.3403(4) -0.1319(3) 0.6227(2) 0.0296(10) Uani 1 1 d .
C14 C 0.2458(6) 0.0444(5) 0.3457(3) 0.0644(15) Uani 1 1 d U
C15 C 0.2449(6) 0.0048(4) 0.2814(3) 0.0632(15) Uani 1 1 d U
H15 H 0.2731 -0.0505 0.2722 0.076 Uiso 1 1 calc R
C16 C 0.2002(6) 0.0492(4) 0.2276(3) 0.0605(16) Uani 1 1 d .
H16 H 0.2021 0.0249 0.1839 0.073 Uiso 1 1 calc R
C17 C 0.1547(4) 0.1285(4) 0.2429(2) 0.0399(11) Uani 1 1 d .
C18 C 0.1589(7) 0.1641(6) 0.3098(3) 0.0733(19) Uani 1 1 d .
H18 H 0.1288 0.2177 0.3209 0.088 Uiso 1 1 calc R
C19 C 0.2062(8) 0.1224(6) 0.3600(3) 0.092(3) Uani 1 1 d .
H19 H 0.2101 0.1496 0.4042 0.110 Uiso 1 1 calc R
C20 C 0.1037(4) 0.1764(4) 0.1900(2) 0.0370(11) Uani 1 1 d .
C21 C 0.1934(5) 0.4737(4) 0.0943(2) 0.0428(12) Uani 1 1 d .
H21 H 0.1500 0.4487 0.0498 0.051 Uiso 1 1 calc R
C22 C 0.2666(5) 0.5770(4) 0.1143(2) 0.0428(12) Uani 1 1 d .
H22 H 0.2716 0.6200 0.0836 0.051 Uiso 1 1 calc R
C23 C 0.3332(4) 0.6179(3) 0.1802(2) 0.0338(10) Uani 1 1 d .
C24 C 0.3271(5) 0.5482(4) 0.2223(2) 0.0443(12) Uani 1 1 d .
H24 H 0.3734 0.5709 0.2664 0.053 Uiso 1 1 calc R
C25 C 0.2512(5) 0.4446(4) 0.1980(2) 0.0451(12) Uani 1 1 d .
H25 H 0.2488 0.3989 0.2269 0.054 Uiso 1 1 calc R
C26 C 0.4063(4) 0.7311(3) 0.2028(2) 0.0346(10) Uani 1 1 d .
C27 C 0.3755(5) 0.8037(4) 0.1703(3) 0.0471(13) Uani 1 1 d .
H27 H 0.3043 0.7822 0.1352 0.056 Uiso 1 1 calc R
C28 C 0.4507(5) 0.9077(4) 0.1902(2) 0.0440(12) Uani 1 1 d .
H28 H 0.4289 0.9545 0.1672 0.053 Uiso 1 1 calc R
C29 C 0.5788(5) 0.8749(4) 0.2740(2) 0.0421(12) Uani 1 1 d .
H29 H 0.6473 0.8993 0.3108 0.050 Uiso 1 1 calc R
C30 C 0.5103(5) 0.7699(4) 0.2571(2) 0.0396(11) Uani 1 1 d .
H30 H 0.5332 0.7251 0.2818 0.048 Uiso 1 1 calc R
C31 C -0.1403(4) 0.3932(3) 0.0877(2) 0.0336(10) Uani 1 1 d .
C32 C -0.2087(4) 0.4536(3) 0.1211(2) 0.0294(10) Uani 1 1 d .
C33 C -0.2142(4) 0.4527(3) 0.1876(2) 0.0317(10) Uani 1 1 d .
H33 H -0.1755 0.4141 0.2107 0.038 Uiso 1 1 calc R
C34 C -0.2768(4) 0.5090(3) 0.2198(2) 0.0298(10) Uani 1 1 d .
C35 C -0.3333(4) 0.5668(3) 0.1850(2) 0.0320(10) Uani 1 1 d .
H35 H -0.3748 0.6051 0.2062 0.038 Uiso 1 1 calc R
C36 C -0.3284(4) 0.5678(3) 0.1185(2) 0.0316(10) Uani 1 1 d .
C37 C -0.2654(4) 0.5105(3) 0.0864(2) 0.0316(10) Uani 1 1 d .
H37 H -0.2620 0.5111 0.0421 0.038 Uiso 1 1 calc R
C38 C -0.2805(4) 0.5053(3) 0.2909(2) 0.0293(9) Uani 1 1 d .
C39 C -0.4350(4) 0.6874(3) -0.0090(2) 0.0324(10) Uani 1 1 d .
C40 C -0.4910(5) 0.7529(4) 0.0202(2) 0.0424(12) Uani 1 1 d .
H40 H -0.4942 0.7584 0.0650 0.051 Uiso 1 1 calc R
C41 C -0.5413(5) 0.8094(4) -0.0183(2) 0.0424(12) Uani 1 1 d .
H41 H -0.5777 0.8539 0.0010 0.051 Uiso 1 1 calc R
C42 C -0.5387(4) 0.8012(3) -0.0855(2) 0.0350(10) Uani 1 1 d .
C43 C -0.4836(5) 0.7364(4) -0.1141(2) 0.0421(12) Uani 1 1 d .
H43 H -0.4814 0.7305 -0.1590 0.051 Uiso 1 1 calc R
C44 C -0.4315(5) 0.6801(4) -0.0759(2) 0.0408(12) Uani 1 1 d .
H44 H -0.3936 0.6368 -0.0952 0.049 Uiso 1 1 calc R
C45 C -0.5954(4) 0.8635(4) -0.1252(2) 0.0364(11) Uani 1 1 d .
C46 C 0.0110(5) 0.2607(3) -0.0484(2) 0.0335(10) Uani 1 1 d .
C47 C 0.0398(4) 0.2231(3) -0.1135(2) 0.0291(9) Uani 1 1 d .
C48 C 0.0007(4) 0.2571(3) -0.1697(2) 0.0313(10) Uani 1 1 d .
H48 H -0.0434 0.3029 -0.1674 0.038 Uiso 1 1 calc R
C49 C 0.0272(4) 0.2228(3) -0.2300(2) 0.0313(10) Uani 1 1 d .
C50 C 0.0888(4) 0.1502(3) -0.2338(2) 0.0334(10) Uani 1 1 d .
H50 H 0.1029 0.1244 -0.2744 0.040 Uiso 1 1 calc R
C51 C 0.1287(4) 0.1169(3) -0.1773(2) 0.0308(10) Uani 1 1 d .
C52 C 0.1059(4) 0.1541(3) -0.1165(2) 0.0326(10) Uani 1 1 d .
H52 H 0.1346 0.1332 -0.0781 0.039 Uiso 1 1 calc R
C53 C 0.1988(4) 0.0423(3) -0.1804(2) 0.0337(10) Uani 1 1 d .
C54 C -0.0763(4) 0.3635(4) -0.3435(2) 0.0345(10) Uani 1 1 d .
C55 C -0.1195(6) 0.4457(4) -0.3388(2) 0.0517(15) Uani 1 1 d .
H55 H -0.1230 0.4782 -0.2972 0.062 Uiso 1 1 calc R
C56 C -0.1575(6) 0.4803(4) -0.3951(2) 0.0538(15) Uani 1 1 d .
H56 H -0.1871 0.5355 -0.3913 0.065 Uiso 1 1 calc R
C57 C -0.1515(4) 0.4323(3) -0.4574(2) 0.0326(10) Uani 1 1 d .
C58 C -0.1047(4) 0.3505(4) -0.4613(2) 0.0366(11) Uani 1 1 d .
H58 H -0.0983 0.3189 -0.5026 0.044 Uiso 1 1 calc R
C59 C -0.0678(4) 0.3158(4) -0.4049(2) 0.0375(11) Uani 1 1 d .
H59 H -0.0376 0.2609 -0.4081 0.045 Uiso 1 1 calc R
C60 C -0.1998(4) 0.4632(3) -0.5196(2) 0.0337(10) 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'
Co Co 0.3494 0.9721 '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'
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
O13 Co1 O21 113.11(13) 1_645 1_646
O13 Co1 O1 92.01(13) 1_645 .
O21 Co1 O1 92.03(15) 1_646 .
O13 Co1 O2 93.42(12) 1_645 .
O21 Co1 O2 152.92(12) 1_646 .
O1 Co1 O2 92.37(15) . .
O13 Co1 N1 90.43(13) 1_645 .
O21 Co1 N1 88.23(14) 1_646 .
O1 Co1 N1 177.23(14) . .
O2 Co1 N1 86.17(13) . .
O13 Co1 O3 153.56(12) 1_645 .
O21 Co1 O3 93.15(12) 1_646 .
O1 Co1 O3 89.94(13) . .
O2 Co1 O3 60.15(10) . .
N1 Co1 O3 87.29(12) . .
O14 Co2 O19 115.27(13) 1_646 1_556
O14 Co2 O6 90.05(16) 1_646 .
O19 Co2 O6 86.90(14) 1_556 .
O14 Co2 O4 89.25(13) 1_646 .
O19 Co2 O4 155.42(12) 1_556 .
O6 Co2 O4 91.65(14) . .
O14 Co2 N5 94.37(14) 1_646 2_666
O19 Co2 N5 84.37(13) 1_556 2_666
O6 Co2 N5 171.23(14) . 2_666
O4 Co2 N5 95.97(13) . 2_666
O14 Co2 O5 149.87(12) 1_646 .
O19 Co2 O5 94.85(12) 1_556 .
O6 Co2 O5 92.54(15) . .
O4 Co2 O5 60.68(11) . .
N5 Co2 O5 87.44(13) 2_666 .
O14 Co2 C13 119.53(14) 1_646 .
O19 Co2 C13 125.19(13) 1_556 .
O6 Co2 C13 93.72(15) . .
O4 Co2 C13 30.39(12) . .
N5 Co2 C13 90.69(14) 2_666 .
O5 Co2 C13 30.34(12) . .
O10 Co3 O16 116.32(12) . .
O10 Co3 O9 86.56(15) . .
O16 Co3 O9 84.14(14) . .
O10 Co3 O7 147.23(13) . .
O16 Co3 O7 96.11(12) . .
O9 Co3 O7 92.48(17) . .
O10 Co3 N4 87.40(14) . .
O16 Co3 N4 91.41(13) . .
O9 Co3 N4 170.00(17) . .
O7 Co3 N4 96.91(15) . .
O10 Co3 O8 87.52(12) . .
O16 Co3 O8 156.11(12) . .
O9 Co3 O8 96.51(15) . .
O7 Co3 O8 60.01(12) . .
N4 Co3 O8 91.18(13) . .
O10 Co3 C20 117.37(14) . .
O16 Co3 C20 126.16(14) . .
O9 Co3 C20 95.12(18) . .
O7 Co3 C20 30.05(13) . .
N4 Co3 C20 94.74(15) . .
O8 Co3 C20 29.96(13) . .
C1 N1 C5 115.6(4) . .
C1 N1 Co1 124.1(3) . .
C5 N1 Co1 119.5(3) . .
N3 N2 C11 109.8(5) . .
N2 N3 C14 110.8(5) . .
C21 N4 C25 116.0(4) . .
C21 N4 Co3 116.4(3) . .
C25 N4 Co3 126.6(3) . .
C28 N5 C29 116.4(4) . .
C28 N5 Co2 125.3(3) . 2_666
C29 N5 Co2 117.4(3) . 2_666
N7 N6 C36 112.8(3) . .
N6 N7 C39 115.4(3) . .
N9 N8 C49 114.1(3) . .
N8 N9 C54 114.3(4) . .
Co1 O1 H1O1 117(6) . .
Co1 O1 H2O1 121(3) . .
H1O1 O1 H2O1 107(7) . .
C6 O2 Co1 92.2(2) . .
C6 O3 Co1 87.2(2) . .
C13 O4 Co2 90.9(2) . .
C13 O5 Co2 88.8(3) . .
Co2 O6 H1O6 111(4) . .
Co2 O6 H2O6 112(4) . .
H1O6 O6 H2O6 121(6) . .
C20 O7 Co3 92.3(3) . .
C20 O8 Co3 88.3(3) . .
Co3 O9 H9B 113.1 . .
Co3 O9 H9C 113.1 . .
H9B O9 H9C 110.7 . .
C31 O10 Co3 135.3(3) . .
C31 O11 H11 109.5 . .
C38 O12 H12B 109.5 . .
C38 O13 Co1 133.7(3) . 1_465
C45 O14 Co2 133.5(3) . 1_464
C46 O16 Co3 131.5(3) . .
C53 O18 H18B 109.5 . .
C53 O19 Co2 131.0(3) . 1_554
C60 O21 Co1 137.3(3) . 1_464
N1 C1 C2 124.3(4) . .
N1 C1 H1 117.8 . .
C2 C1 H1 117.8 . .
C1 C2 C3 119.8(4) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C2 C3 C4 115.6(4) . .
C2 C3 C3 122.7(5) . 2_756
C4 C3 C3 121.7(5) . 2_756
C5 C4 C3 119.4(4) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
N1 C5 C4 124.9(4) . .
N1 C5 H5 117.6 . .
C4 C5 H5 117.6 . .
O3 C6 O2 120.1(4) . .
O3 C6 C7 121.3(4) . .
O2 C6 C7 118.5(4) . .
C12 C7 C8 119.7(4) . .
C12 C7 C6 118.8(4) . .
C8 C7 C6 121.4(4) . .
C7 C8 C9 120.4(4) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
C10 C9 C8 119.3(4) . .
C10 C9 C13 120.2(4) . .
C8 C9 C13 120.5(4) . .
C9 C10 C11 120.4(4) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C12 C11 C10 119.9(4) . .
C12 C11 N2 111.0(4) . .
C10 C11 N2 129.1(4) . .
C7 C12 C11 120.2(4) . .
C7 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
O5 C13 O4 119.4(4) . .
O5 C13 C9 120.1(4) . .
O4 C13 C9 120.5(4) . .
O5 C13 Co2 60.8(2) . .
O4 C13 Co2 58.7(2) . .
C9 C13 Co2 176.5(3) . .
C19 C14 C15 121.3(6) . .
C19 C14 N3 115.6(6) . .
C15 C14 N3 123.1(6) . .
C14 C15 C16 119.8(5) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C17 C16 C15 118.4(6) . .
C17 C16 H16 120.8 . .
C15 C16 H16 120.8 . .
C16 C17 C18 118.1(5) . .
C16 C17 C20 121.6(5) . .
C18 C17 C20 120.3(5) . .
C19 C18 C17 122.0(6) . .
C19 C18 H18 119.0 . .
C17 C18 H18 119.0 . .
C14 C19 C18 120.4(7) . .
C14 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
O8 C20 O7 119.4(4) . .
O8 C20 C17 120.5(4) . .
O7 C20 C17 120.0(4) . .
O8 C20 Co3 61.7(2) . .
O7 C20 Co3 57.6(2) . .
C17 C20 Co3 177.0(3) . .
N4 C21 C22 123.7(4) . .
N4 C21 H21 118.1 . .
C22 C21 H21 118.1 . .
C21 C22 C23 120.2(4) . .
C21 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C24 C23 C22 116.8(4) . .
C24 C23 C26 123.0(4) . .
C22 C23 C26 120.2(4) . .
C23 C24 C25 119.3(4) . .
C23 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
N4 C25 C24 123.7(4) . .
N4 C25 H25 118.1 . .
C24 C25 H25 118.1 . .
C30 C26 C27 116.6(4) . .
C30 C26 C23 121.6(4) . .
C27 C26 C23 121.7(4) . .
C28 C27 C26 119.9(5) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
N5 C28 C27 123.4(4) . .
N5 C28 H28 118.3 . .
C27 C28 H28 118.3 . .
N5 C29 C30 124.1(4) . .
N5 C29 H29 118.0 . .
C30 C29 H29 118.0 . .
C29 C30 C26 119.4(4) . .
C29 C30 H30 120.3 . .
C26 C30 H30 120.3 . .
O10 C31 O11 124.3(4) . .
O10 C31 C32 121.0(4) . .
O11 C31 C32 114.7(4) . .
C37 C32 C33 120.2(4) . .
C37 C32 C31 119.9(4) . .
C33 C32 C31 119.9(4) . .
C34 C33 C32 120.8(4) . .
C34 C33 H33 119.6 . .
C32 C33 H33 119.6 . .
C35 C34 C33 119.1(4) . .
C35 C34 C38 122.1(4) . .
C33 C34 C38 118.8(4) . .
C34 C35 C36 120.4(4) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
C35 C36 C37 120.1(4) . .
C35 C36 N6 117.5(4) . .
C37 C36 N6 122.4(4) . .
C32 C37 C36 119.5(4) . .
C32 C37 H37 120.3 . .
C36 C37 H37 120.3 . .
O13 C38 O12 125.6(4) . .
O13 C38 C34 118.9(4) . .
O12 C38 C34 115.5(4) . .
C44 C39 C40 119.6(4) . .
C44 C39 N7 116.6(4) . .
C40 C39 N7 123.8(4) . .
C41 C40 C39 119.0(4) . .
C41 C40 H40 120.5 . .
C39 C40 H40 120.5 . .
C40 C41 C42 121.3(4) . .
C40 C41 H41 119.4 . .
C42 C41 H41 119.4 . .
C43 C42 C41 119.6(4) . .
C43 C42 C45 121.3(4) . .
C41 C42 C45 119.2(4) . .
C42 C43 C44 119.8(4) . .
C42 C43 H43 120.1 . .
C44 C43 H43 120.1 . .
C43 C44 C39 120.8(4) . .
C43 C44 H44 119.6 . .
C39 C44 H44 119.6 . .
O14 C45 O15 122.6(4) . .
O14 C45 C42 120.6(4) . .
O15 C45 C42 116.7(4) . .
O16 C46 O17 125.1(4) . .
O16 C46 C47 120.3(4) . .
O17 C46 C47 114.6(4) . .
C48 C47 C52 120.5(4) . .
C48 C47 C46 119.7(4) . .
C52 C47 C46 119.9(4) . .
C47 C48 C49 120.0(4) . .
C47 C48 H48 120.0 . .
C49 C48 H48 120.0 . .
C48 C49 C50 119.6(4) . .
C48 C49 N8 124.6(4) . .
C50 C49 N8 115.9(4) . .
C51 C50 C49 120.2(4) . .
C51 C50 H50 119.9 . .
C49 C50 H50 119.9 . .
C50 C51 C52 120.0(4) . .
C50 C51 C53 120.5(4) . .
C52 C51 C53 119.4(4) . .
C51 C52 C47 119.6(4) . .
C51 C52 H52 120.2 . .
C47 C52 H52 120.2 . .
O19 C53 O18 125.3(4) . .
O19 C53 C51 121.9(4) . .
O18 C53 C51 112.8(4) . .
C55 C54 C59 120.2(4) . .
C55 C54 N9 117.0(4) . .
C59 C54 N9 122.8(4) . .
C54 C55 C56 120.8(4) . .
C54 C55 H55 119.6 . .
C56 C55 H55 119.6 . .
C55 C56 C57 119.9(4) . .
C55 C56 H56 120.1 . .
C57 C56 H56 120.1 . .
C56 C57 C58 118.7(4) . .
C56 C57 C60 121.2(4) . .
C58 C57 C60 120.0(4) . .
C59 C58 C57 121.0(4) . .
C59 C58 H58 119.5 . .
C57 C58 H58 119.5 . .
C58 C59 C54 119.4(4) . .
C58 C59 H59 120.3 . .
C54 C59 H59 120.3 . .
O21 C60 O20 124.6(4) . .
O21 C60 C57 120.6(4) . .
O20 C60 C57 114.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O13 2.063(3) 1_645
Co1 O21 2.065(3) 1_646
Co1 O1 2.083(4) .
Co1 O2 2.130(3) .
Co1 N1 2.157(4) .
Co1 O3 2.247(3) .
Co2 O14 2.072(3) 1_646
Co2 O19 2.103(3) 1_556
Co2 O6 2.126(4) .
Co2 O4 2.137(3) .
Co2 N5 2.146(4) 2_666
Co2 O5 2.184(3) .
Co2 C13 2.501(4) .
Co3 O10 2.070(3) .
Co3 O16 2.071(3) .
Co3 O9 2.085(4) .
Co3 O7 2.130(3) .
Co3 N4 2.143(4) .
Co3 O8 2.220(3) .
Co3 C20 2.519(4) .
N1 C1 1.323(6) .
N1 C5 1.337(6) .
N2 N3 1.165(6) .
N2 C11 1.482(6) .
N3 C14 1.502(7) .
N4 C21 1.341(6) .
N4 C25 1.343(6) .
N5 C28 1.333(6) .
N5 C29 1.340(6) .
N5 Co2 2.146(4) 2_666
N6 N7 1.248(5) .
N6 C36 1.439(5) .
N7 C39 1.430(5) .
N8 N9 1.250(5) .
N8 C49 1.424(5) .
N9 C54 1.429(5) .
O1 H1O1 0.62(6) .
O1 H2O1 0.93(5) .
O2 C6 1.274(5) .
O3 C6 1.261(5) .
O4 C13 1.265(5) .
O5 C13 1.263(5) .
O6 H1O6 0.78(6) .
O6 H2O6 0.91(6) .
O7 C20 1.263(5) .
O8 C20 1.259(5) .
O9 H9B 0.8500 .
O9 H9C 0.8499 .
O10 C31 1.239(5) .
O11 C31 1.277(5) .
O11 H11 0.8200 .
O12 C38 1.265(5) .
O12 H12B 0.8200 .
O13 C38 1.250(5) .
O13 Co1 2.063(3) 1_465
O14 C45 1.245(5) .
O14 Co2 2.072(3) 1_464
O15 C45 1.261(5) .
O16 C46 1.243(5) .
O17 C46 1.264(5) .
O18 C53 1.281(5) .
O18 H18B 0.8200 .
O19 C53 1.236(5) .
O19 Co2 2.103(3) 1_554
O20 C60 1.277(5) .
O21 C60 1.223(5) .
O21 Co1 2.065(3) 1_464
C1 C2 1.390(7) .
C1 H1 0.9300 .
C2 C3 1.398(6) .
C2 H2 0.9300 .
C3 C4 1.404(6) .
C3 C3 1.460(8) 2_756
C4 C5 1.377(6) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.497(6) .
C7 C12 1.385(6) .
C7 C8 1.388(5) .
C8 C9 1.404(5) .
C8 H8 0.9300 .
C9 C10 1.383(6) .
C9 C13 1.493(6) .
C10 C11 1.392(6) .
C10 H10 0.9300 .
C11 C12 1.391(6) .
C12 H12 0.9300 .
C14 C19 1.315(9) .
C14 C15 1.368(8) .
C15 C16 1.446(8) .
C15 H15 0.9300 .
C16 C17 1.378(7) .
C16 H16 0.9300 .
C17 C18 1.395(7) .
C17 C20 1.493(6) .
C18 C19 1.376(8) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C21 C22 1.368(6) .
C21 H21 0.9300 .
C22 C23 1.388(6) .
C22 H22 0.9300 .
C23 C24 1.387(6) .
C23 C26 1.484(6) .
C24 C25 1.386(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C30 1.391(6) .
C26 C27 1.391(6) .
C27 C28 1.380(7) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.375(6) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.494(5) .
C32 C37 1.376(6) .
C32 C33 1.394(5) .
C33 C34 1.393(6) .
C33 H33 0.9300 .
C34 C35 1.386(6) .
C34 C38 1.492(5) .
C35 C36 1.394(6) .
C35 H35 0.9300 .
C36 C37 1.404(6) .
C37 H37 0.9300 .
C39 C44 1.388(6) .
C39 C40 1.396(6) .
C40 C41 1.376(6) .
C40 H40 0.9300 .
C41 C42 1.391(6) .
C41 H41 0.9300 .
C42 C43 1.376(6) .
C42 C45 1.492(6) .
C43 C44 1.382(6) .
C43 H43 0.9300 .
C44 H44 0.9300 .
C46 C47 1.506(5) .
C47 C48 1.380(6) .
C47 C52 1.397(6) .
C48 C49 1.393(5) .
C48 H48 0.9300 .
C49 C50 1.402(6) .
C50 C51 1.380(6) .
C50 H50 0.9300 .
C51 C52 1.394(6) .
C51 C53 1.499(6) .
C52 H52 0.9300 .
C54 C55 1.377(6) .
C54 C59 1.383(6) .
C55 C56 1.382(6) .
C55 H55 0.9300 .
C56 C57 1.392(6) .
C56 H56 0.9300 .
C57 C58 1.400(6) .
C57 C60 1.492(6) .
C58 C59 1.381(6) .
C58 H58 0.9300 .
C59 H59 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
O13 Co1 N1 C1 -135.9(4) 1_645 .
O21 Co1 N1 C1 -22.8(4) 1_646 .
O1 Co1 N1 C1 73(3) . .
O2 Co1 N1 C1 130.7(4) . .
O3 Co1 N1 C1 70.5(4) . .
O13 Co1 N1 C5 55.0(4) 1_645 .
O21 Co1 N1 C5 168.1(4) 1_646 .
O1 Co1 N1 C5 -97(3) . .
O2 Co1 N1 C5 -38.4(4) . .
O3 Co1 N1 C5 -98.7(4) . .
C11 N2 N3 C14 -178.0(4) . .
O10 Co3 N4 C21 -74.2(3) . .
O16 Co3 N4 C21 42.0(3) . .
O9 Co3 N4 C21 -21.3(10) . .
O7 Co3 N4 C21 138.4(3) . .
O8 Co3 N4 C21 -161.7(3) . .
C20 Co3 N4 C21 168.5(3) . .
O10 Co3 N4 C25 94.0(4) . .
O16 Co3 N4 C25 -149.8(4) . .
O9 Co3 N4 C25 146.8(7) . .
O7 Co3 N4 C25 -53.4(4) . .
O8 Co3 N4 C25 6.5(4) . .
C20 Co3 N4 C25 -23.3(4) . .
C36 N6 N7 C39 -178.9(4) . .
C49 N8 N9 C54 -179.9(4) . .
O13 Co1 O2 C6 -175.9(2) 1_645 .
O21 Co1 O2 C6 -7.2(4) 1_646 .
O1 Co1 O2 C6 92.0(3) . .
N1 Co1 O2 C6 -85.7(2) . .
O3 Co1 O2 C6 3.4(2) . .
O13 Co1 O3 C6 -1.8(4) 1_645 .
O21 Co1 O3 C6 171.8(3) 1_646 .
O1 Co1 O3 C6 -96.2(3) . .
O2 Co1 O3 C6 -3.4(2) . .
N1 Co1 O3 C6 83.7(3) . .
O14 Co2 O4 C13 -175.4(3) 1_646 .
O19 Co2 O4 C13 8.4(5) 1_556 .
O6 Co2 O4 C13 94.5(3) . .
N5 Co2 O4 C13 -81.1(3) 2_666 .
O5 Co2 O4 C13 2.6(2) . .
O14 Co2 O5 C13 1.4(4) 1_646 .
O19 Co2 O5 C13 179.9(3) 1_556 .
O6 Co2 O5 C13 -93.0(3) . .
O4 Co2 O5 C13 -2.6(2) . .
N5 Co2 O5 C13 95.7(3) 2_666 .
O10 Co3 O7 C20 -8.4(5) . .
O16 Co3 O7 C20 179.7(3) . .
O9 Co3 O7 C20 -95.9(3) . .
N4 Co3 O7 C20 87.5(3) . .
O8 Co3 O7 C20 0.2(3) . .
O10 Co3 O8 C20 175.2(3) . .
O16 Co3 O8 C20 -1.3(5) . .
O9 Co3 O8 C20 89.0(3) . .
O7 Co3 O8 C20 -0.2(3) . .
N4 Co3 O8 C20 -97.5(3) . .
O16 Co3 O10 C31 -11.6(5) . .
O9 Co3 O10 C31 -93.4(5) . .
O7 Co3 O10 C31 177.4(4) . .
N4 Co3 O10 C31 78.7(5) . .
O8 Co3 O10 C31 170.0(5) . .
C20 Co3 O10 C31 172.7(4) . .
O10 Co3 O16 C46 -17.4(4) . .
O9 Co3 O16 C46 65.8(4) . .
O7 Co3 O16 C46 157.7(4) . .
N4 Co3 O16 C46 -105.2(4) . .
O8 Co3 O16 C46 158.7(4) . .
C20 Co3 O16 C46 157.9(4) . .
C5 N1 C1 C2 2.6(7) . .
Co1 N1 C1 C2 -167.0(4) . .
N1 C1 C2 C3 2.4(8) . .
C1 C2 C3 C4 -4.7(7) . .
C1 C2 C3 C3 175.6(5) . 2_756
C2 C3 C4 C5 2.2(7) . .
C3 C3 C4 C5 -178.0(5) 2_756 .
C1 N1 C5 C4 -5.2(8) . .
Co1 N1 C5 C4 164.8(4) . .
C3 C4 C5 N1 2.9(9) . .
Co1 O3 C6 O2 5.7(4) . .
Co1 O3 C6 C7 -171.2(4) . .
Co1 O2 C6 O3 -6.0(4) . .
Co1 O2 C6 C7 171.0(3) . .
O3 C6 C7 C12 172.1(4) . .
O2 C6 C7 C12 -4.9(6) . .
O3 C6 C7 C8 -6.8(6) . .
O2 C6 C7 C8 176.2(4) . .
C12 C7 C8 C9 1.8(7) . .
C6 C7 C8 C9 -179.3(4) . .
C7 C8 C9 C10 -2.5(6) . .
C7 C8 C9 C13 176.0(4) . .
C8 C9 C10 C11 1.4(7) . .
C13 C9 C10 C11 -177.2(4) . .
C9 C10 C11 C12 0.4(7) . .
C9 C10 C11 N2 179.1(5) . .
N3 N2 C11 C12 -174.4(5) . .
N3 N2 C11 C10 6.8(8) . .
C8 C7 C12 C11 0.0(7) . .
C6 C7 C12 C11 -178.9(4) . .
C10 C11 C12 C7 -1.1(7) . .
N2 C11 C12 C7 180.0(4) . .
Co2 O5 C13 O4 4.3(4) . .
Co2 O5 C13 C9 -176.1(4) . .
Co2 O4 C13 O5 -4.4(4) . .
Co2 O4 C13 C9 176.0(3) . .
C10 C9 C13 O5 10.7(6) . .
C8 C9 C13 O5 -167.8(4) . .
C10 C9 C13 O4 -169.7(4) . .
C8 C9 C13 O4 11.7(6) . .
C10 C9 C13 Co2 -94(5) . .
C8 C9 C13 Co2 88(5) . .
O14 Co2 C13 O5 -179.2(2) 1_646 .
O19 Co2 C13 O5 -0.2(3) 1_556 .
O6 Co2 C13 O5 88.7(3) . .
O4 Co2 C13 O5 175.6(4) . .
N5 Co2 C13 O5 -83.8(3) 2_666 .
O14 Co2 C13 O4 5.3(3) 1_646 .
O19 Co2 C13 O4 -175.7(2) 1_556 .
O6 Co2 C13 O4 -86.9(3) . .
N5 Co2 C13 O4 100.7(3) 2_666 .
O5 Co2 C13 O4 -175.6(4) . .
O14 Co2 C13 C9 -73(5) 1_646 .
O19 Co2 C13 C9 106(5) 1_556 .
O6 Co2 C13 C9 -165(5) . .
O4 Co2 C13 C9 -78(5) . .
N5 Co2 C13 C9 23(5) 2_666 .
O5 Co2 C13 C9 107(5) . .
N2 N3 C14 C19 -177.0(7) . .
N2 N3 C14 C15 6.6(8) . .
C19 C14 C15 C16 0.2(10) . .
N3 C14 C15 C16 176.4(5) . .
C14 C15 C16 C17 -2.5(9) . .
C15 C16 C17 C18 2.4(8) . .
C15 C16 C17 C20 -178.4(5) . .
C16 C17 C18 C19 -0.2(10) . .
C20 C17 C18 C19 -179.5(6) . .
C15 C14 C19 C18 2.1(12) . .
N3 C14 C19 C18 -174.4(6) . .
C17 C18 C19 C14 -2.1(12) . .
Co3 O8 C20 O7 0.3(5) . .
Co3 O8 C20 C17 177.8(4) . .
Co3 O7 C20 O8 -0.3(5) . .
Co3 O7 C20 C17 -177.8(4) . .
C16 C17 C20 O8 163.9(5) . .
C18 C17 C20 O8 -16.9(7) . .
C16 C17 C20 O7 -18.6(7) . .
C18 C17 C20 O7 160.6(5) . .
C16 C17 C20 Co3 -57(7) . .
C18 C17 C20 Co3 123(7) . .
O10 Co3 C20 O8 -5.4(3) . .
O16 Co3 C20 O8 179.4(2) . .
O9 Co3 C20 O8 -94.2(3) . .
O7 Co3 C20 O8 179.7(5) . .
N4 Co3 C20 O8 84.1(3) . .
O10 Co3 C20 O7 174.9(3) . .
O16 Co3 C20 O7 -0.4(4) . .
O9 Co3 C20 O7 86.1(3) . .
N4 Co3 C20 O7 -95.6(3) . .
O8 Co3 C20 O7 -179.7(5) . .
O10 Co3 C20 C17 -146(7) . .
O16 Co3 C20 C17 39(7) . .
O9 Co3 C20 C17 125(7) . .
O7 Co3 C20 C17 39(7) . .
N4 Co3 C20 C17 -56(7) . .
O8 Co3 C20 C17 -140(7) . .
C25 N4 C21 C22 -3.8(7) . .
Co3 N4 C21 C22 165.6(4) . .
N4 C21 C22 C23 0.0(8) . .
C21 C22 C23 C24 3.6(7) . .
C21 C22 C23 C26 -176.3(5) . .
C22 C23 C24 C25 -3.3(7) . .
C26 C23 C24 C25 176.6(5) . .
C21 N4 C25 C24 4.1(7) . .
Co3 N4 C25 C24 -164.1(4) . .
C23 C24 C25 N4 -0.6(8) . .
C24 C23 C26 C30 25.8(7) . .
C22 C23 C26 C30 -154.3(5) . .
C24 C23 C26 C27 -155.1(5) . .
C22 C23 C26 C27 24.8(7) . .
C30 C26 C27 C28 3.3(7) . .
C23 C26 C27 C28 -175.9(4) . .
C29 N5 C28 C27 -2.1(7) . .
Co2 N5 C28 C27 166.8(4) 2_666 .
C26 C27 C28 N5 -1.0(8) . .
C28 N5 C29 C30 3.1(7) . .
Co2 N5 C29 C30 -166.7(4) 2_666 .
N5 C29 C30 C26 -0.8(7) . .
C27 C26 C30 C29 -2.4(7) . .
C23 C26 C30 C29 176.7(4) . .
Co3 O10 C31 O11 10.6(8) . .
Co3 O10 C31 C32 -168.8(3) . .
O10 C31 C32 C37 -176.5(4) . .
O11 C31 C32 C37 4.0(7) . .
O10 C31 C32 C33 4.0(7) . .
O11 C31 C32 C33 -175.5(4) . .
C37 C32 C33 C34 0.1(7) . .
C31 C32 C33 C34 179.6(4) . .
C32 C33 C34 C35 -0.4(7) . .
C32 C33 C34 C38 179.8(4) . .
C33 C34 C35 C36 0.5(7) . .
C38 C34 C35 C36 -179.7(4) . .
C34 C35 C36 C37 -0.3(7) . .
C34 C35 C36 N6 -180.0(4) . .
N7 N6 C36 C35 179.5(4) . .
N7 N6 C36 C37 -0.2(6) . .
C33 C32 C37 C36 0.2(7) . .
C31 C32 C37 C36 -179.4(4) . .
C35 C36 C37 C32 0.0(7) . .
N6 C36 C37 C32 179.6(4) . .
Co1 O13 C38 O12 -0.5(8) 1_465 .
Co1 O13 C38 C34 179.0(3) 1_465 .
C35 C34 C38 O13 -6.4(7) . .
C33 C34 C38 O13 173.4(4) . .
C35 C34 C38 O12 173.1(4) . .
C33 C34 C38 O12 -7.1(6) . .
N6 N7 C39 C44 -176.2(4) . .
N6 N7 C39 C40 4.2(7) . .
C44 C39 C40 C41 -0.2(8) . .
N7 C39 C40 C41 179.3(5) . .
C39 C40 C41 C42 0.9(8) . .
C40 C41 C42 C43 -0.8(8) . .
C40 C41 C42 C45 179.6(5) . .
C41 C42 C43 C44 0.1(8) . .
C45 C42 C43 C44 179.7(5) . .
C42 C43 C44 C39 0.5(8) . .
C40 C39 C44 C43 -0.5(8) . .
N7 C39 C44 C43 180.0(5) . .
Co2 O14 C45 O15 -14.2(8) 1_464 .
Co2 O14 C45 C42 168.0(3) 1_464 .
C43 C42 C45 O14 4.3(7) . .
C41 C42 C45 O14 -176.1(5) . .
C43 C42 C45 O15 -173.7(5) . .
C41 C42 C45 O15 6.0(7) . .
Co3 O16 C46 O17 15.6(8) . .
Co3 O16 C46 C47 -165.0(3) . .
O16 C46 C47 C48 -165.2(4) . .
O17 C46 C47 C48 14.2(7) . .
O16 C46 C47 C52 14.8(7) . .
O17 C46 C47 C52 -165.8(5) . .
C52 C47 C48 C49 -0.1(7) . .
C46 C47 C48 C49 179.9(4) . .
C47 C48 C49 C50 2.8(7) . .
C47 C48 C49 N8 -177.5(4) . .
N9 N8 C49 C48 8.9(7) . .
N9 N8 C49 C50 -171.3(4) . .
C48 C49 C50 C51 -3.3(7) . .
N8 C49 C50 C51 176.9(4) . .
C49 C50 C51 C52 1.1(7) . .
C49 C50 C51 C53 -177.8(4) . .
C50 C51 C52 C47 1.6(7) . .
C53 C51 C52 C47 -179.5(4) . .
C48 C47 C52 C51 -2.1(7) . .
C46 C47 C52 C51 177.9(4) . .
Co2 O19 C53 O18 -18.6(7) 1_554 .
Co2 O19 C53 C51 159.4(3) 1_554 .
C50 C51 C53 O19 -24.9(7) . .
C52 C51 C53 O19 156.3(4) . .
C50 C51 C53 O18 153.3(5) . .
C52 C51 C53 O18 -25.5(6) . .
N8 N9 C54 C55 -179.3(5) . .
N8 N9 C54 C59 2.0(7) . .
C59 C54 C55 C56 1.4(9) . .
N9 C54 C55 C56 -177.3(5) . .
C54 C55 C56 C57 -0.5(9) . .
C55 C56 C57 C58 -1.0(8) . .
C55 C56 C57 C60 175.9(5) . .
C56 C57 C58 C59 1.5(7) . .
C60 C57 C58 C59 -175.4(4) . .
C57 C58 C59 C54 -0.6(7) . .
C55 C54 C59 C58 -0.9(8) . .
N9 C54 C59 C58 177.8(4) . .
Co1 O21 C60 O20 14.6(8) 1_464 .
Co1 O21 C60 C57 -164.4(3) 1_464 .
C56 C57 C60 O21 0.7(7) . .
C58 C57 C60 O21 177.6(4) . .
C56 C57 C60 O20 -178.4(5) . .
C58 C57 C60 O20 -1.5(6) . .
