#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:23:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180180 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/76/7107618.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_7107618
loop_
_publ_author_name
'Wei-Quan Lin'
'Ji-Dong Leng'
'Ming-Liang Tong'
_publ_section_title
;
 A novel nanosized {Co16} metallamacrocycle incorporating four linear
 {Co4} subunits bridged by polytriazolate ligands
;
_journal_issue                   37
_journal_name_full               Chem.Commun.
_journal_page_first              4477
_journal_page_last               4479
_journal_paper_doi               10.1039/c2cc31141k
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C204 H202 Co16 N76 O39'
_chemical_formula_weight         5285.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 94.949(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.769(5)
_cell_length_b                   25.300(3)
_cell_length_c                   29.931(4)
_cell_measurement_temperature    150(2)
_cell_volume                     29249(6)
_computing_cell_refinement       'SAINT-PLUS, Ver. 6.0, 1997'
_computing_data_collection       'SMART, 1998.'
_computing_data_reduction        'SAINT-PLUS, Ver. 6.0, 1997'
_computing_molecular_graphics    'XP, Ver. 6.10, Bruker AXS Inc., 2000'
_computing_publication_material  'SHELXTL-Bruker AXS Inc., 1998'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker Apex CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0929
_diffrn_reflns_av_sigmaI/netI    0.2075
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            61271
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         0.96
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_T_max  0.8553
_exptl_absorpt_correction_T_min  0.7905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             10808
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_platon_squeeze_details
;
;
_refine_diff_density_max         1.382
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.774
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1430
_refine_ls_number_reflns         28248
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      0.774
_refine_ls_R_factor_all          0.1445
_refine_ls_R_factor_gt           0.0706
_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)+(0.0868P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1674
_refine_ls_wR_factor_ref         0.1882
_reflns_number_gt                10298
_reflns_number_total             28248
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc31141k.txt
_cod_data_source_block           2
_cod_original_cell_volume        29250(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7107618
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.20146(2) 0.76277(3) 0.62533(3) 0.0405(2) Uani 1 1 d .
Co2 Co 0.11863(2) 0.74789(3) 0.57732(3) 0.0369(2) Uani 1 1 d .
Co3 Co 0.04820(2) 0.75125(3) 0.52103(3) 0.0368(2) Uani 1 1 d .
Co4 Co -0.02336(2) 0.78142(3) 0.44970(3) 0.0416(2) Uani 1 1 d .
Co5 Co -0.12076(2) 0.83618(3) 0.47574(3) 0.0474(3) Uani 1 1 d .
Co6 Co -0.15766(2) 0.85557(3) 0.57115(3) 0.0472(3) Uani 1 1 d .
Co7 Co -0.19780(2) 0.84947(3) 0.65965(3) 0.0442(2) Uani 1 1 d .
Co8 Co -0.24115(2) 0.81740(3) 0.74907(3) 0.0429(2) Uani 1 1 d .
O1 O 0.15012(10) 0.78350(15) 0.62070(12) 0.0403(10) Uani 1 1 d .
O2 O 0.09612(10) 0.77501(14) 0.52081(13) 0.0428(11) Uani 1 1 d .
O3 O 0.00725(10) 0.79299(15) 0.50800(13) 0.0455(11) Uani 1 1 d .
O4 O -0.12372(10) 0.81847(15) 0.54127(14) 0.0475(11) Uani 1 1 d .
O5 O -0.18608(11) 0.81292(17) 0.60666(14) 0.0574(13) Uani 1 1 d .
O6 O -0.20027(10) 0.80609(15) 0.71098(13) 0.0429(11) Uani 1 1 d .
O1W O 0.06977(15) 0.80154(19) 0.5926(2) 0.109(2) Uani 1 1 d .
H1WA H 0.0722 0.8347 0.5898 0.131 Uiso 1 1 d R
H1WB H 0.0600 0.7932 0.6160 0.131 Uiso 1 1 d R
N1 N 0.27768(14) 0.7620(2) 0.78667(17) 0.0520(15) Uani 1 1 d .
N2 N 0.22992(13) 0.74385(19) 0.71811(16) 0.0423(13) Uani 1 1 d .
N3 N 0.20369(13) 0.72426(18) 0.68902(16) 0.0412(13) Uani 1 1 d .
N4 N 0.22296(14) 0.65743(19) 0.73441(16) 0.0490(15) Uani 1 1 d .
N5 N 0.08444(13) 0.69087(17) 0.59382(16) 0.0367(12) Uani 1 1 d .
N6 N 0.05312(12) 0.69250(18) 0.56832(16) 0.0368(12) Uani 1 1 d .
N7 N 0.05888(13) 0.61144(18) 0.59844(16) 0.0399(13) Uani 1 1 d .
N8 N -0.06543(13) 0.74075(19) 0.47423(18) 0.0467(14) Uani 1 1 d .
N9 N -0.09803(14) 0.76279(19) 0.46273(18) 0.0483(14) Uani 1 1 d .
N10 N -0.10615(14) 0.6751(2) 0.47575(19) 0.0580(16) Uani 1 1 d .
N11 N -0.16572(15) 0.7845(2) 0.4560(2) 0.0726(19) Uani 1 1 d .
N12 N -0.21102(13) 0.8115(2) 0.93286(16) 0.0448(14) Uani 1 1 d .
N13 N -0.21738(12) 0.83621(19) 0.84631(17) 0.0409(13) Uani 1 1 d .
N14 N -0.21755(13) 0.8597(2) 0.80423(16) 0.0432(13) Uani 1 1 d .
N15 N -0.21251(13) 0.92397(19) 0.85604(17) 0.0465(14) Uani 1 1 d .
N16 N -0.16595(13) 0.9121(2) 0.65457(17) 0.0459(14) Uani 1 1 d .
N17 N -0.14738(13) 0.91346(19) 0.61623(17) 0.0441(14) Uani 1 1 d .
N18 N -0.14891(15) 0.9957(2) 0.6454(2) 0.0598(17) Uani 1 1 d .
N19 N -0.07289(13) 0.8766(2) 0.48187(17) 0.0474(14) Uani 1 1 d .
N20 N -0.04871(13) 0.85537(19) 0.45578(17) 0.0430(13) Uani 1 1 d .
N21 N -0.03827(16) 0.9426(2) 0.4627(2) 0.0689(19) Uani 1 1 d .
N22 N 0.00464(14) 0.8340(2) 0.40915(18) 0.0516(15) Uani 1 1 d .
N23 N 0.24976(14) 0.7060(2) 0.62109(17) 0.0518(15) Uani 1 1 d .
N24 N 0.18641(13) 0.70270(19) 0.58272(16) 0.0395(13) Uani 1 1 d .
N25 N 0.15481(12) 0.69370(19) 0.55933(16) 0.0383(13) Uani 1 1 d .
N26 N 0.18814(13) 0.62062(19) 0.55473(16) 0.0394(13) Uani 1 1 d .
N27 N 0.03775(12) 0.70340(18) 0.46493(16) 0.0381(13) Uani 1 1 d .
N28 N 0.00914(13) 0.72000(19) 0.43933(17) 0.0433(13) Uani 1 1 d .
N29 N 0.02337(14) 0.6393(2) 0.41445(19) 0.0597(17) Uani 1 1 d .
N30 N -0.04573(15) 0.7340(2) 0.38338(19) 0.071(2) Uani 1 1 d .
N31 N -0.12697(14) 0.8890(2) 0.40948(18) 0.0493(14) Uani 1 1 d .
N32 N -0.15671(14) 0.8938(2) 0.48448(18) 0.0473(14) Uani 1 1 d .
N33 N -0.17821(13) 0.89779(19) 0.51801(18) 0.0484(14) Uani 1 1 d .
N34 N -0.19835(13) 0.95130(19) 0.46193(17) 0.0429(13) Uani 1 1 d .
N35 N -0.24429(13) 0.88448(19) 0.66189(16) 0.0406(13) Uani 1 1 d .
N36 N -0.25689(13) 0.8733(2) 0.70212(16) 0.0421(13) Uani 1 1 d .
N37 N -0.29264(14) 0.9328(2) 0.66612(18) 0.0514(15) Uani 1 1 d .
N38 N -0.29062(14) 0.8608(2) 0.77269(18) 0.0542(15) Uani 1 1 d .
C1 C 0.3043(2) 0.7727(3) 0.8169(2) 0.073(2) Uani 1 1 d .
H1 H 0.3108 0.8086 0.8220 0.088 Uiso 1 1 calc R
C2 C 0.3224(3) 0.7343(4) 0.8406(3) 0.101(3) Uani 1 1 d U
H2 H 0.3425 0.7430 0.8596 0.121 Uiso 1 1 calc R
C3 C 0.3112(3) 0.6817(4) 0.8365(4) 0.125(4) Uani 1 1 d U
H3 H 0.3224 0.6548 0.8545 0.150 Uiso 1 1 calc R
C4 C 0.2828(3) 0.6693(4) 0.8054(3) 0.100(3) Uani 1 1 d U
H4 H 0.2742 0.6343 0.8015 0.120 Uiso 1 1 calc R
C5 C 0.26802(19) 0.7120(3) 0.7805(2) 0.062(2) Uani 1 1 d .
C6 C 0.24049(16) 0.7028(3) 0.7446(2) 0.0417(16) Uani 1 1 d .
C7 C 0.20095(16) 0.6731(2) 0.7002(2) 0.0394(16) Uani 1 1 d .
C8 C 0.17416(16) 0.6370(2) 0.67814(18) 0.0350(15) Uani 1 1 d .
C9 C 0.17999(17) 0.5821(2) 0.67895(19) 0.0448(17) Uani 1 1 d .
H9 H 0.2010 0.5686 0.6932 0.054 Uiso 1 1 calc R
C10 C 0.15576(16) 0.5478(2) 0.6595(2) 0.0437(17) Uani 1 1 d .
H10 H 0.1600 0.5108 0.6606 0.052 Uiso 1 1 calc R
C11 C 0.12502(16) 0.5671(2) 0.6381(2) 0.0424(16) Uani 1 1 d .
H11 H 0.1083 0.5432 0.6247 0.051 Uiso 1 1 calc R
C12 C 0.11859(15) 0.6217(2) 0.63611(18) 0.0322(14) Uani 1 1 d .
C13 C 0.14275(17) 0.6561(2) 0.65730(19) 0.0413(16) Uani 1 1 d .
H13 H 0.1380 0.6929 0.6577 0.050 Uiso 1 1 calc R
C14 C 0.08720(17) 0.6415(2) 0.61040(19) 0.0384(16) Uani 1 1 d .
C15 C 0.03871(16) 0.6442(2) 0.5712(2) 0.0355(15) Uani 1 1 d .
C16 C 0.00695(16) 0.6281(2) 0.5462(2) 0.0419(16) Uani 1 1 d .
C17 C 0.00134(18) 0.5750(2) 0.5368(2) 0.060(2) Uani 1 1 d .
H17 H 0.0170 0.5493 0.5498 0.071 Uiso 1 1 calc R
C18 C -0.02762(18) 0.5592(3) 0.5081(3) 0.067(2) Uani 1 1 d .
H18 H -0.0314 0.5229 0.5015 0.080 Uiso 1 1 calc R
C19 C -0.05044(18) 0.5970(2) 0.4894(2) 0.062(2) Uani 1 1 d .
H19 H -0.0695 0.5863 0.4694 0.074 Uiso 1 1 calc R
C20 C -0.04592(17) 0.6500(2) 0.4996(2) 0.0474(18) Uani 1 1 d .
C21 C -0.01733(17) 0.6661(2) 0.5284(2) 0.0450(17) Uani 1 1 d .
H21 H -0.0143 0.7023 0.5359 0.054 Uiso 1 1 calc R
C22 C -0.07195(16) 0.6890(3) 0.4817(2) 0.0477(18) Uani 1 1 d .
C23 C -0.12052(17) 0.7229(3) 0.4636(2) 0.0511(18) Uani 1 1 d .
C24 C -0.1572(2) 0.7330(3) 0.4558(3) 0.071(2) Uani 1 1 d .
C25 C -0.1814(2) 0.6921(4) 0.4499(3) 0.096(3) Uani 1 1 d U
H25 H -0.1743 0.6562 0.4513 0.115 Uiso 1 1 calc R
C26 C -0.2174(3) 0.7060(5) 0.4417(3) 0.138(4) Uani 1 1 d U
H26 H -0.2349 0.6801 0.4354 0.165 Uiso 1 1 calc R
C27 C -0.2251(3) 0.7608(4) 0.4437(3) 0.110(3) Uani 1 1 d U
H27 H -0.2486 0.7717 0.4406 0.132 Uiso 1 1 calc R
C28 C -0.1998(2) 0.7983(3) 0.4499(3) 0.100(3) Uani 1 1 d .
H28 H -0.2061 0.8346 0.4499 0.120 Uiso 1 1 calc R
C29 C -0.20822(16) 0.7971(3) 0.9765(2) 0.0505(18) Uani 1 1 d .
H29 H -0.2087 0.7605 0.9837 0.061 Uiso 1 1 calc R
C30 C -0.20472(17) 0.8332(3) 1.0111(2) 0.0562(19) Uani 1 1 d .
H30 H -0.2030 0.8220 1.0415 0.067 Uiso 1 1 calc R
C31 C -0.20378(19) 0.8857(3) 1.0005(2) 0.064(2) Uani 1 1 d .
H31 H -0.2009 0.9112 1.0238 0.077 Uiso 1 1 calc R
C32 C -0.20693(17) 0.9023(3) 0.9563(2) 0.0508(18) Uani 1 1 d .
H32 H -0.2063 0.9388 0.9489 0.061 Uiso 1 1 calc R
C33 C -0.21091(16) 0.8649(3) 0.9238(2) 0.0446(17) Uani 1 1 d .
C34 C -0.21456(16) 0.8755(3) 0.8752(2) 0.0413(16) Uani 1 1 d .
C35 C -0.21450(17) 0.9117(3) 0.8115(2) 0.0463(17) Uani 1 1 d .
C36 C -0.21080(17) 0.9509(2) 0.7770(2) 0.0451(17) Uani 1 1 d .
C37 C -0.22600(18) 0.9995(2) 0.7779(2) 0.0520(19) Uani 1 1 d .
H37 H -0.2396 1.0081 0.8018 0.062 Uiso 1 1 calc R
C38 C -0.2221(2) 1.0360(3) 0.7449(3) 0.071(2) Uani 1 1 d .
H38 H -0.2335 1.0691 0.7454 0.085 Uiso 1 1 calc R
C39 C -0.2016(2) 1.0245(3) 0.7111(2) 0.068(2) Uani 1 1 d .
H39 H -0.1979 1.0506 0.6891 0.082 Uiso 1 1 calc R
C40 C -0.18624(18) 0.9754(2) 0.7085(2) 0.0495(18) Uani 1 1 d .
C41 C -0.19077(17) 0.9393(2) 0.7416(2) 0.0501(18) Uani 1 1 d .
H41 H -0.1801 0.9056 0.7405 0.060 Uiso 1 1 calc R
C42 C -0.16649(17) 0.9616(2) 0.6696(2) 0.0456(17) Uani 1 1 d .
C43 C -0.13809(17) 0.9643(2) 0.6123(2) 0.0506(19) Uani 1 1 d .
C44 C -0.1182(2) 0.9825(2) 0.5758(3) 0.065(2) Uani 1 1 d .
C45 C -0.1184(2) 1.0364(4) 0.5655(3) 0.103(3) Uani 1 1 d U
H45 H -0.1286 1.0612 0.5842 0.124 Uiso 1 1 calc R
C46 C -0.1030(3) 1.0537(4) 0.5266(4) 0.128(4) Uani 1 1 d U
H46 H -0.1050 1.0895 0.5174 0.153 Uiso 1 1 calc R
C47 C -0.0847(2) 1.0174(4) 0.5018(3) 0.109(3) Uani 1 1 d U
H47 H -0.0729 1.0294 0.4772 0.131 Uiso 1 1 calc R
C48 C -0.0838(2) 0.9645(2) 0.5130(3) 0.068(2) Uani 1 1 d .
C49 C -0.10087(17) 0.9492(2) 0.5493(2) 0.0512(19) Uani 1 1 d .
H49 H -0.1006 0.9126 0.5566 0.061 Uiso 1 1 calc R
C50 C -0.06505(18) 0.9279(3) 0.4857(2) 0.0507(18) Uani 1 1 d .
C51 C -0.02933(18) 0.8961(3) 0.4456(2) 0.0525(19) Uani 1 1 d .
C52 C -0.00088(19) 0.8861(3) 0.4175(3) 0.065(2) Uani 1 1 d .
C53 C 0.0182(2) 0.9265(4) 0.4010(3) 0.103(3) Uani 1 1 d U
H53 H 0.0145 0.9624 0.4088 0.123 Uiso 1 1 calc R
C54 C 0.0442(3) 0.9118(4) 0.3714(3) 0.121(4) Uani 1 1 d U
H54 H 0.0576 0.9380 0.3582 0.146 Uiso 1 1 calc R
C55 C 0.0490(2) 0.8580(3) 0.3627(3) 0.091(3) Uani 1 1 d U
H55 H 0.0658 0.8469 0.3433 0.109 Uiso 1 1 calc R
C56 C 0.02929(19) 0.8223(3) 0.3824(2) 0.066(2) Uani 1 1 d .
H56 H 0.0333 0.7860 0.3767 0.079 Uiso 1 1 calc R
C57 C 0.28180(19) 0.7080(3) 0.6415(2) 0.060(2) Uani 1 1 d .
H57 H 0.2889 0.7399 0.6564 0.072 Uiso 1 1 calc R
C58 C 0.3055(2) 0.6665(4) 0.6424(3) 0.077(3) Uani 1 1 d .
H58 H 0.3282 0.6705 0.6567 0.092 Uiso 1 1 calc R
C59 C 0.2953(2) 0.6199(4) 0.6223(2) 0.066(2) Uani 1 1 d .
H59 H 0.3111 0.5912 0.6220 0.079 Uiso 1 1 calc R
C60 C 0.26172(17) 0.6149(3) 0.6021(2) 0.0489(18) Uani 1 1 d .
H60 H 0.2537 0.5821 0.5896 0.059 Uiso 1 1 calc R
C61 C 0.24049(16) 0.6583(3) 0.6008(2) 0.0456(17) Uani 1 1 d .
C62 C 0.20530(16) 0.6589(3) 0.5788(2) 0.0392(16) Uani 1 1 d .
C63 C 0.15694(16) 0.6435(2) 0.54327(18) 0.0337(15) Uani 1 1 d .
C64 C 0.12831(16) 0.6173(2) 0.5175(2) 0.0397(16) Uani 1 1 d .
C65 C 0.12587(17) 0.5622(2) 0.5156(2) 0.0506(18) Uani 1 1 d .
H65 H 0.1429 0.5412 0.5319 0.061 Uiso 1 1 calc R
C66 C 0.09897(18) 0.5383(3) 0.4904(2) 0.060(2) Uani 1 1 d .
H66 H 0.0982 0.5008 0.4885 0.073 Uiso 1 1 calc R
C67 C 0.07281(18) 0.5681(2) 0.4677(2) 0.056(2) Uani 1 1 d .
H67 H 0.0541 0.5513 0.4508 0.068 Uiso 1 1 calc R
C68 C 0.07461(16) 0.6230(2) 0.4702(2) 0.0419(16) Uani 1 1 d .
C69 C 0.10217(15) 0.6471(2) 0.49392(18) 0.0339(15) Uani 1 1 d .
H69 H 0.1036 0.6845 0.4944 0.041 Uiso 1 1 calc R
C70 C 0.04585(16) 0.6553(2) 0.4486(2) 0.0424(17) Uani 1 1 d .
C71 C 0.00147(16) 0.6808(3) 0.4100(2) 0.0499(19) Uani 1 1 d .
C72 C -0.0290(2) 0.6899(3) 0.3779(3) 0.081(2) Uani 1 1 d U
C73 C -0.0372(3) 0.6531(4) 0.3436(4) 0.132(4) Uani 1 1 d U
H73 H -0.0236 0.6224 0.3400 0.159 Uiso 1 1 calc R
C74 C -0.0671(4) 0.6648(6) 0.3147(5) 0.201(6) Uani 1 1 d U
H74 H -0.0748 0.6406 0.2917 0.241 Uiso 1 1 calc R
C75 C -0.0856(3) 0.7121(5) 0.3199(4) 0.162(5) Uani 1 1 d U
H75 H -0.1047 0.7221 0.2997 0.195 Uiso 1 1 calc R
C76 C -0.0740(3) 0.7434(4) 0.3568(4) 0.121(4) Uani 1 1 d U
H76 H -0.0874 0.7735 0.3631 0.146 Uiso 1 1 calc R
C77 C -0.10796(18) 0.8883(3) 0.3743(2) 0.060(2) Uani 1 1 d .
H77 H -0.0898 0.8633 0.3733 0.071 Uiso 1 1 calc R
C78 C -0.1144(2) 0.9236(3) 0.3394(3) 0.074(2) Uani 1 1 d .
H78 H -0.1000 0.9229 0.3152 0.089 Uiso 1 1 calc R
C79 C -0.14110(19) 0.9598(3) 0.3387(2) 0.067(2) Uani 1 1 d .
H79 H -0.1462 0.9824 0.3137 0.081 Uiso 1 1 calc R
C80 C -0.15996(16) 0.9622(3) 0.3753(2) 0.0499(18) Uani 1 1 d .
H80 H -0.1781 0.9873 0.3767 0.060 Uiso 1 1 calc R
C81 C -0.15195(17) 0.9264(3) 0.4112(2) 0.0458(17) Uani 1 1 d .
C82 C -0.16924(16) 0.9252(2) 0.4523(2) 0.0413(16) Uani 1 1 d .
C83 C -0.20307(17) 0.9322(2) 0.5032(2) 0.0444(17) Uani 1 1 d .
C84 C -0.23154(15) 0.9485(2) 0.5292(2) 0.0364(15) Uani 1 1 d .
C85 C -0.25472(17) 0.9862(3) 0.5124(2) 0.0528(19) Uani 1 1 d .
H85 H -0.2529 1.0010 0.4835 0.063 Uiso 1 1 calc R
C86 C -0.28089(19) 1.0024(3) 0.5385(2) 0.070(2) Uani 1 1 d .
H86 H -0.2964 1.0294 0.5275 0.084 Uiso 1 1 calc R
C87 C -0.28497(18) 0.9807(3) 0.5794(2) 0.057(2) Uani 1 1 d .
H87 H -0.3035 0.9920 0.5959 0.069 Uiso 1 1 calc R
C88 C -0.26244(16) 0.9426(2) 0.5969(2) 0.0368(15) Uani 1 1 d .
C89 C -0.23624(17) 0.9263(3) 0.5706(2) 0.0512(19) Uani 1 1 d .
H89 H -0.2210 0.8989 0.5816 0.061 Uiso 1 1 calc R
C90 C -0.26641(16) 0.9199(2) 0.6412(2) 0.0410(16) Uani 1 1 d .
C91 C -0.28521(17) 0.9020(3) 0.7036(2) 0.0513(18) Uani 1 1 d .
C92 C -0.3036(2) 0.8967(3) 0.7433(2) 0.071(2) Uani 1 1 d .
C93 C -0.3330(3) 0.9244(4) 0.7493(4) 0.131(4) Uani 1 1 d U
H93 H -0.3427 0.9473 0.7264 0.157 Uiso 1 1 calc R
C94 C -0.3490(4) 0.9189(6) 0.7897(5) 0.202(6) Uani 1 1 d U
H94 H -0.3684 0.9398 0.7960 0.242 Uiso 1 1 calc R
C95 C -0.3342(3) 0.8798(5) 0.8208(4) 0.134(4) Uani 1 1 d U
H95 H -0.3445 0.8721 0.8478 0.161 Uiso 1 1 calc R
C96 C -0.3062(2) 0.8551(3) 0.8107(2) 0.085(3) Uani 1 1 d .
H96 H -0.2959 0.8310 0.8322 0.102 Uiso 1 1 calc R
C97 C 0.1367(2) 0.8159(3) 0.6546(3) 0.092(3) Uani 1 1 d .
H97A H 0.1131 0.8047 0.6592 0.139 Uiso 1 1 calc R
H97B H 0.1366 0.8529 0.6451 0.139 Uiso 1 1 calc R
H97C H 0.1514 0.8120 0.6828 0.139 Uiso 1 1 calc R
C98 C 0.11316(18) 0.7866(3) 0.4818(2) 0.070(2) Uani 1 1 d .
H98A H 0.0961 0.7883 0.4557 0.106 Uiso 1 1 calc R
H98B H 0.1301 0.7588 0.4772 0.106 Uiso 1 1 calc R
H98C H 0.1251 0.8206 0.4857 0.106 Uiso 1 1 calc R
C99 C -0.0030(3) 0.8265(4) 0.5423(3) 0.129(4) Uani 1 1 d U
H99A H 0.0078 0.8145 0.5714 0.193 Uiso 1 1 calc R
H99B H -0.0283 0.8253 0.5426 0.193 Uiso 1 1 calc R
H99C H 0.0042 0.8628 0.5367 0.193 Uiso 1 1 calc R
C100 C -0.0988(2) 0.7877(3) 0.5686(3) 0.093(3) Uani 1 1 d .
H100 H -0.0991 0.7984 0.6000 0.139 Uiso 1 1 calc R
H101 H -0.0757 0.7936 0.5587 0.139 Uiso 1 1 calc R
H102 H -0.1047 0.7501 0.5656 0.139 Uiso 1 1 calc R
C101 C -0.1885(4) 0.7443(5) 0.6005(4) 0.198(6) Uani 1 1 d U
H103 H -0.1788 0.7340 0.5726 0.296 Uiso 1 1 calc R
H104 H -0.2128 0.7332 0.5994 0.296 Uiso 1 1 calc R
H105 H -0.1754 0.7273 0.6260 0.296 Uiso 1 1 calc R
C102 C -0.1720(2) 0.7728(4) 0.7218(3) 0.098(3) Uani 1 1 d .
H106 H -0.1555 0.7761 0.6990 0.148 Uiso 1 1 calc R
H107 H -0.1801 0.7362 0.7230 0.148 Uiso 1 1 calc R
H108 H -0.1607 0.7829 0.7511 0.148 Uiso 1 1 calc R
N39 N 0.1882(2) 0.2975(4) 0.9322(3) 0.108(3) Uani 1 1 d .
C103 C 0.1926(2) 0.3416(4) 0.9373(3) 0.078(3) Uani 1 1 d .
C104 C 0.1975(2) 0.3977(3) 0.9429(3) 0.097(3) Uani 1 1 d .
H109 H 0.2044 0.4055 0.9745 0.145 Uiso 1 1 calc R
H110 H 0.1758 0.4161 0.9336 0.145 Uiso 1 1 calc R
H111 H 0.2156 0.4097 0.9244 0.145 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
N24 Co1 O1 85.68(18) . .
N24 Co1 N13 165.0(2) . 2_556
O1 Co1 N13 92.89(17) . 2_556
N24 Co1 N3 101.87(18) . .
O1 Co1 N3 98.12(17) . .
N13 Co1 N3 93.13(19) 2_556 .
N24 Co1 N12 88.94(19) . 2_556
O1 Co1 N12 91.84(17) . 2_556
N13 Co1 N12 76.15(19) 2_556 2_556
N3 Co1 N12 165.77(19) . 2_556
N24 Co1 N23 72.5(2) . .
O1 Co1 N23 156.52(18) . .
N13 Co1 N23 110.4(2) 2_556 .
N3 Co1 N23 78.48(18) . .
N12 Co1 N23 96.29(19) 2_556 .
O1 Co2 O2 128.83(16) . .
O1 Co2 N5 123.54(18) . .
O2 Co2 N5 101.86(18) . .
O1 Co2 N25 94.64(18) . .
O2 Co2 N25 105.62(18) . .
N5 Co2 N25 93.64(19) . .
O1 Co2 O1W 94.09(19) . .
O2 Co2 O1W 70.59(19) . .
N5 Co2 O1W 79.34(18) . .
N25 Co2 O1W 170.9(2) . .
O3 Co3 O2 126.91(17) . .
O3 Co3 N6 124.45(19) . .
O2 Co3 N6 101.16(18) . .
O3 Co3 N27 93.21(18) . .
O2 Co3 N27 107.17(18) . .
N6 Co3 N27 97.77(19) . .
N28 Co4 O3 85.31(18) . .
N28 Co4 N8 100.8(2) . .
O3 Co4 N8 100.46(19) . .
N28 Co4 N20 167.9(2) . .
O3 Co4 N20 92.26(17) . .
N8 Co4 N20 91.28(19) . .
N28 Co4 N22 92.1(2) . .
O3 Co4 N22 96.25(19) . .
N8 Co4 N22 159.6(2) . .
N20 Co4 N22 76.4(2) . .
N28 Co4 N30 71.33(19) . .
O3 Co4 N30 155.96(17) . .
N8 Co4 N30 79.1(2) . .
N20 Co4 N30 111.77(19) . .
N22 Co4 N30 90.3(2) . .
O4 Co5 N32 86.42(19) . .
O4 Co5 N9 92.49(18) . .
N32 Co5 N9 162.0(2) . .
O4 Co5 N19 98.39(19) . .
N32 Co5 N19 104.3(2) . .
N9 Co5 N19 93.7(2) . .
O4 Co5 N11 91.1(2) . .
N32 Co5 N11 85.7(2) . .
N9 Co5 N11 76.3(2) . .
N19 Co5 N11 166.6(2) . .
O4 Co5 N31 156.79(17) . .
N32 Co5 N31 71.8(2) . .
N9 Co5 N31 110.7(2) . .
N19 Co5 N31 79.97(19) . .
N11 Co5 N31 95.0(2) . .
O4 Co6 O5 115.77(17) . .
O4 Co6 N17 124.82(19) . .
O5 Co6 N17 97.33(19) . .
O4 Co6 N33 97.6(2) . .
O5 Co6 N33 121.6(2) . .
N17 Co6 N33 100.7(2) . .
O6 Co7 O5 114.93(18) . .
O6 Co7 N35 96.86(19) . .
O5 Co7 N35 120.97(19) . .
O6 Co7 N16 126.00(19) . .
O5 Co7 N16 97.2(2) . .
N35 Co7 N16 102.2(2) . .
N36 Co8 O6 85.05(18) . .
N36 Co8 N14 105.6(2) . .
O6 Co8 N14 101.66(18) . .
N36 Co8 N2 162.8(2) . 2_556
O6 Co8 N2 89.85(17) . 2_556
N14 Co8 N2 91.43(19) . 2_556
N36 Co8 N1 88.0(2) . 2_556
O6 Co8 N1 97.84(19) . 2_556
N14 Co8 N1 157.0(2) . 2_556
N2 Co8 N1 76.4(2) 2_556 2_556
N36 Co8 N38 71.6(2) . .
O6 Co8 N38 156.12(18) . .
N14 Co8 N38 80.72(19) . .
N2 Co8 N38 113.93(19) 2_556 .
N1 Co8 N38 86.4(2) 2_556 .
C97 O1 Co2 119.8(4) . .
C97 O1 Co1 120.4(4) . .
Co2 O1 Co1 118.72(19) . .
C98 O2 Co3 125.2(4) . .
C98 O2 Co2 125.3(4) . .
Co3 O2 Co2 104.02(19) . .
C99 O3 Co3 117.5(5) . .
C99 O3 Co4 121.7(5) . .
Co3 O3 Co4 120.26(19) . .
C100 O4 Co6 117.3(4) . .
C100 O4 Co5 125.3(4) . .
Co6 O4 Co5 116.5(2) . .
C101 O5 Co7 123.4(5) . .
C101 O5 Co6 121.8(5) . .
Co7 O5 Co6 111.9(2) . .
C102 O6 Co7 116.3(4) . .
C102 O6 Co8 125.6(4) . .
Co7 O6 Co8 117.7(2) . .
Co2 O1W H1WA 116.4 . .
Co2 O1W H1WB 115.6 . .
H1WA O1W H1WB 112.8 . .
C5 N1 C1 118.5(6) . .
C5 N1 Co8 112.2(4) . 2_556
C1 N1 Co8 128.6(5) . 2_556
C6 N2 N3 105.4(5) . .
C6 N2 Co8 111.2(4) . 2_556
N3 N2 Co8 135.9(4) . 2_556
C7 N3 N2 105.0(5) . .
C7 N3 Co1 131.7(4) . .
N2 N3 Co1 111.8(4) . .
C7 N4 C6 101.3(5) . .
C14 N5 N6 105.7(5) . .
C14 N5 Co2 135.3(4) . .
N6 N5 Co2 113.8(3) . .
C15 N6 N5 106.7(5) . .
C15 N6 Co3 133.4(4) . .
N5 N6 Co3 115.4(3) . .
C14 N7 C15 103.1(5) . .
C22 N8 N9 104.4(5) . .
C22 N8 Co4 133.5(4) . .
N9 N8 Co4 115.4(4) . .
C23 N9 N8 105.8(5) . .
C23 N9 Co5 112.2(4) . .
N8 N9 Co5 133.7(4) . .
C23 N10 C22 100.2(5) . .
C24 N11 C28 118.8(7) . .
C24 N11 Co5 112.6(5) . .
C28 N11 Co5 128.0(5) . .
C29 N12 C33 117.1(5) . .
C29 N12 Co1 127.6(4) . 2_556
C33 N12 Co1 113.0(4) . 2_556
C34 N13 N14 105.4(5) . .
C34 N13 Co1 113.3(4) . 2_556
N14 N13 Co1 135.9(4) . 2_556
C35 N14 N13 106.2(5) . .
C35 N14 Co8 130.8(4) . .
N13 N14 Co8 117.3(4) . .
C34 N15 C35 101.9(5) . .
C42 N16 N17 106.0(5) . .
C42 N16 Co7 133.2(5) . .
N17 N16 Co7 116.1(4) . .
C43 N17 N16 104.7(5) . .
C43 N17 Co6 132.8(5) . .
N16 N17 Co6 116.4(4) . .
C42 N18 C43 102.6(5) . .
C50 N19 N20 105.5(5) . .
C50 N19 Co5 132.0(4) . .
N20 N19 Co5 113.3(4) . .
C51 N20 N19 104.7(5) . .
C51 N20 Co4 112.8(4) . .
N19 N20 Co4 137.1(4) . .
C51 N21 C50 100.9(5) . .
C56 N22 C52 117.2(6) . .
C56 N22 Co4 128.6(5) . .
C52 N22 Co4 113.6(4) . .
C57 N23 C61 115.4(6) . .
C57 N23 Co1 131.3(5) . .
C61 N23 Co1 112.0(4) . .
C62 N24 N25 106.8(5) . .
C62 N24 Co1 122.9(4) . .
N25 N24 Co1 129.5(4) . .
C63 N25 N24 104.8(5) . .
C63 N25 Co2 140.6(4) . .
N24 N25 Co2 110.6(4) . .
C62 N26 C63 102.6(5) . .
C70 N27 N28 106.1(5) . .
C70 N27 Co3 140.9(4) . .
N28 N27 Co3 111.6(3) . .
C71 N28 N27 105.4(5) . .
C71 N28 Co4 123.9(4) . .
N27 N28 Co4 129.4(4) . .
C70 N29 C71 101.6(5) . .
C72 N30 C76 118.3(8) . .
C72 N30 Co4 112.3(5) . .
C76 N30 Co4 128.9(6) . .
C77 N31 C81 118.8(6) . .
C77 N31 Co5 128.7(5) . .
C81 N31 Co5 112.3(4) . .
C82 N32 N33 106.5(5) . .
C82 N32 Co5 123.5(5) . .
N33 N32 Co5 127.8(4) . .
C83 N33 N32 105.8(5) . .
C83 N33 Co6 145.4(5) . .
N32 N33 Co6 108.4(4) . .
C83 N34 C82 101.6(5) . .
C90 N35 N36 106.2(5) . .
C90 N35 Co7 144.0(4) . .
N36 N35 Co7 109.1(4) . .
C91 N36 N35 106.1(5) . .
C91 N36 Co8 123.8(5) . .
N35 N36 Co8 129.7(4) . .
C90 N37 C91 101.4(5) . .
C92 N38 C96 117.5(6) . .
C92 N38 Co8 112.8(4) . .
C96 N38 Co8 129.6(5) . .
N1 C1 C2 122.7(8) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C1 C2 C3 119.3(10) . .
C1 C2 H2 120.4 . .
C3 C2 H2 120.4 . .
C2 C3 C4 119.1(10) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 115.9(9) . .
C5 C4 H4 122.1 . .
C3 C4 H4 122.1 . .
N1 C5 C4 124.2(7) . .
N1 C5 C6 115.6(6) . .
C4 C5 C6 120.2(7) . .
N2 C6 N4 113.5(5) . .
N2 C6 C5 118.2(6) . .
N4 C6 C5 128.3(6) . .
N4 C7 N3 114.8(5) . .
N4 C7 C8 122.1(6) . .
N3 C7 C8 123.0(5) . .
C13 C8 C9 118.6(6) . .
C13 C8 C7 122.0(5) . .
C9 C8 C7 119.4(6) . .
C10 C9 C8 120.9(6) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 120.1(6) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C10 C11 C12 120.4(6) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C13 C12 C11 119.1(6) . .
C13 C12 C14 121.4(5) . .
C11 C12 C14 119.5(6) . .
C12 C13 C8 120.8(5) . .
C12 C13 H13 119.6 . .
C8 C13 H13 119.6 . .
N5 C14 N7 112.7(5) . .
N5 C14 C12 123.0(6) . .
N7 C14 C12 124.2(5) . .
N6 C15 N7 111.7(5) . .
N6 C15 C16 124.1(5) . .
N7 C15 C16 124.0(5) . .
C17 C16 C21 119.5(6) . .
C17 C16 C15 119.3(6) . .
C21 C16 C15 121.0(5) . .
C16 C17 C18 120.0(6) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C19 C18 C17 119.8(6) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C20 C19 C18 121.0(6) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C21 119.6(6) . .
C19 C20 C22 119.9(6) . .
C21 C20 C22 120.5(5) . .
C20 C21 C16 119.9(5) . .
C20 C21 H21 120.0 . .
C16 C21 H21 120.0 . .
N8 C22 N10 114.7(6) . .
N8 C22 C20 124.9(6) . .
N10 C22 C20 120.0(6) . .
N9 C23 N10 114.9(6) . .
N9 C23 C24 119.9(6) . .
N10 C23 C24 125.0(6) . .
N11 C24 C25 123.8(7) . .
N11 C24 C23 114.3(6) . .
C25 C24 C23 121.9(7) . .
C24 C25 C26 118.1(9) . .
C24 C25 H25 120.9 . .
C26 C25 H25 120.9 . .
C27 C26 C25 115.8(11) . .
C27 C26 H26 122.1 . .
C25 C26 H26 122.1 . .
C28 C27 C26 122.2(10) . .
C28 C27 H27 118.9 . .
C26 C27 H27 118.9 . .
N11 C28 C27 121.2(8) . .
N11 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
N12 C29 C30 122.6(6) . .
N12 C29 H29 118.7 . .
C30 C29 H29 118.7 . .
C31 C30 C29 118.3(7) . .
C31 C30 H30 120.9 . .
C29 C30 H30 120.9 . .
C30 C31 C32 121.0(7) . .
C30 C31 H31 119.5 . .
C32 C31 H31 119.5 . .
C33 C32 C31 118.0(6) . .
C33 C32 H32 121.0 . .
C31 C32 H32 121.0 . .
C32 C33 N12 122.9(6) . .
C32 C33 C34 125.1(6) . .
N12 C33 C34 111.9(5) . .
N13 C34 N15 114.1(6) . .
N13 C34 C33 120.4(6) . .
N15 C34 C33 125.3(6) . .
N14 C35 N15 112.4(5) . .
N14 C35 C36 124.9(6) . .
N15 C35 C36 122.6(6) . .
C37 C36 C41 118.2(6) . .
C37 C36 C35 122.3(6) . .
C41 C36 C35 119.5(6) . .
C36 C37 C38 121.2(6) . .
C36 C37 H37 119.4 . .
C38 C37 H37 119.4 . .
C39 C38 C37 119.8(7) . .
C39 C38 H38 120.1 . .
C37 C38 H38 120.1 . .
C38 C39 C40 120.8(7) . .
C38 C39 H39 119.6 . .
C40 C39 H39 119.6 . .
C41 C40 C39 118.3(6) . .
C41 C40 C42 121.1(6) . .
C39 C40 C42 120.5(6) . .
C40 C41 C36 121.6(6) . .
C40 C41 H41 119.2 . .
C36 C41 H41 119.2 . .
N16 C42 N18 113.4(6) . .
N16 C42 C40 120.5(6) . .
N18 C42 C40 126.0(6) . .
N17 C43 N18 113.2(6) . .
N17 C43 C44 121.8(6) . .
N18 C43 C44 125.0(6) . .
C49 C44 C45 117.6(7) . .
C49 C44 C43 123.7(6) . .
C45 C44 C43 118.5(7) . .
C44 C45 C46 119.1(9) . .
C44 C45 H45 120.5 . .
C46 C45 H45 120.5 . .
C47 C46 C45 119.8(10) . .
C47 C46 H46 120.1 . .
C45 C46 H46 120.1 . .
C48 C47 C46 120.5(10) . .
C48 C47 H47 119.8 . .
C46 C47 H47 119.8 . .
C49 C48 C47 117.5(7) . .
C49 C48 C50 123.9(6) . .
C47 C48 C50 118.7(7) . .
C44 C49 C48 125.2(6) . .
C44 C49 H49 117.4 . .
C48 C49 H49 117.4 . .
N19 C50 N21 113.9(6) . .
N19 C50 C48 122.7(6) . .
N21 C50 C48 123.4(6) . .
N20 C51 N21 115.0(6) . .
N20 C51 C52 118.0(6) . .
N21 C51 C52 127.0(6) . .
N22 C52 C53 123.7(7) . .
N22 C52 C51 114.1(6) . .
C53 C52 C51 122.2(7) . .
C52 C53 C54 116.9(9) . .
C52 C53 H53 121.6 . .
C54 C53 H53 121.6 . .
C55 C54 C53 118.4(10) . .
C55 C54 H54 120.8 . .
C53 C54 H54 120.8 . .
C56 C55 C54 118.6(9) . .
C56 C55 H55 120.7 . .
C54 C55 H55 120.7 . .
N22 C56 C55 125.1(7) . .
N22 C56 H56 117.4 . .
C55 C56 H56 117.4 . .
N23 C57 C58 124.5(7) . .
N23 C57 H57 117.8 . .
C58 C57 H57 117.8 . .
C59 C58 C57 118.4(8) . .
C59 C58 H58 120.8 . .
C57 C58 H58 120.8 . .
C58 C59 C60 119.6(8) . .
C58 C59 H59 120.2 . .
C60 C59 H59 120.2 . .
C61 C60 C59 118.3(7) . .
C61 C60 H60 120.8 . .
C59 C60 H60 120.8 . .
C60 C61 N23 123.6(6) . .
C60 C61 C62 123.7(7) . .
N23 C61 C62 112.7(6) . .
N24 C62 N26 113.1(5) . .
N24 C62 C61 117.7(6) . .
N26 C62 C61 129.2(6) . .
N26 C63 N25 112.8(5) . .
N26 C63 C64 124.2(5) . .
N25 C63 C64 123.0(5) . .
C65 C64 C69 118.2(6) . .
C65 C64 C63 121.4(6) . .
C69 C64 C63 120.5(5) . .
C66 C65 C64 120.5(6) . .
C66 C65 H65 119.8 . .
C64 C65 H65 119.8 . .
C65 C66 C67 121.0(6) . .
C65 C66 H66 119.5 . .
C67 C66 H66 119.5 . .
C68 C67 C66 118.9(6) . .
C68 C67 H67 120.5 . .
C66 C67 H67 120.5 . .
C69 C68 C67 120.2(6) . .
C69 C68 C70 120.2(6) . .
C67 C68 C70 119.6(6) . .
C68 C69 C64 121.2(5) . .
C68 C69 H69 119.4 . .
C64 C69 H69 119.4 . .
N29 C70 N27 112.8(6) . .
N29 C70 C68 125.2(5) . .
N27 C70 C68 121.7(6) . .
N28 C71 N29 114.1(5) . .
N28 C71 C72 115.6(6) . .
N29 C71 C72 130.3(6) . .
N30 C72 C73 125.0(9) . .
N30 C72 C71 115.5(7) . .
C73 C72 C71 119.5(9) . .
C72 C73 C74 115.5(12) . .
C72 C73 H73 122.3 . .
C74 C73 H73 122.3 . .
C75 C74 C73 120.5(15) . .
C75 C74 H74 119.7 . .
C73 C74 H74 119.7 . .
C76 C75 C74 115.7(14) . .
C76 C75 H75 122.1 . .
C74 C75 H75 122.1 . .
N30 C76 C75 124.6(11) . .
N30 C76 H76 117.7 . .
C75 C76 H76 117.7 . .
N31 C77 C78 120.9(7) . .
N31 C77 H77 119.5 . .
C78 C77 H77 119.5 . .
C77 C78 C79 121.6(7) . .
C77 C78 H78 119.2 . .
C79 C78 H78 119.2 . .
C80 C79 C78 118.0(7) . .
C80 C79 H79 121.0 . .
C78 C79 H79 121.0 . .
C79 C80 C81 118.7(7) . .
C79 C80 H80 120.6 . .
C81 C80 H80 120.6 . .
N31 C81 C80 121.8(6) . .
N31 C81 C82 113.6(6) . .
C80 C81 C82 124.6(6) . .
N32 C82 N34 113.7(6) . .
N32 C82 C81 117.8(6) . .
N34 C82 C81 128.5(6) . .
N33 C83 N34 112.4(6) . .
N33 C83 C84 124.0(6) . .
N34 C83 C84 123.5(6) . .
C85 C84 C89 118.4(6) . .
C85 C84 C83 120.0(6) . .
C89 C84 C83 121.6(6) . .
C84 C85 C86 118.8(6) . .
C84 C85 H85 120.6 . .
C86 C85 H85 120.6 . .
C87 C86 C85 122.2(6) . .
C87 C86 H86 118.9 . .
C85 C86 H86 118.9 . .
C86 C87 C88 120.3(6) . .
C86 C87 H87 119.8 . .
C88 C87 H87 119.8 . .
C87 C88 C89 117.5(6) . .
C87 C88 C90 120.4(6) . .
C89 C88 C90 122.1(6) . .
C84 C89 C88 122.8(6) . .
C84 C89 H89 118.6 . .
C88 C89 H89 118.6 . .
N37 C90 N35 112.6(5) . .
N37 C90 C88 123.2(6) . .
N35 C90 C88 124.2(6) . .
N36 C91 N37 113.7(6) . .
N36 C91 C92 116.6(6) . .
N37 C91 C92 129.8(6) . .
N38 C92 C93 122.4(8) . .
N38 C92 C91 114.9(6) . .
C93 C92 C91 122.6(8) . .
C92 C93 C94 119.8(12) . .
C92 C93 H93 120.1 . .
C94 C93 H93 120.1 . .
C93 C94 C95 116.1(14) . .
C93 C94 H94 121.9 . .
C95 C94 H94 121.9 . .
C96 C95 C94 117.8(12) . .
C96 C95 H95 121.1 . .
C94 C95 H95 121.1 . .
C95 C96 N38 126.0(9) . .
C95 C96 H96 117.0 . .
N38 C96 H96 117.0 . .
O1 C97 H97A 109.5 . .
O1 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
O1 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
O2 C98 H98A 109.5 . .
O2 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
O2 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
O3 C99 H99A 109.5 . .
O3 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
O3 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
O4 C100 H100 109.5 . .
O4 C100 H101 109.5 . .
H100 C100 H101 109.5 . .
O4 C100 H102 109.5 . .
H100 C100 H102 109.5 . .
H101 C100 H102 109.5 . .
O5 C101 H103 109.5 . .
O5 C101 H104 109.5 . .
H103 C101 H104 109.5 . .
O5 C101 H105 109.5 . .
H103 C101 H105 109.5 . .
H104 C101 H105 109.5 . .
O6 C102 H106 109.5 . .
O6 C102 H107 109.5 . .
H106 C102 H107 109.5 . .
O6 C102 H108 109.5 . .
H106 C102 H108 109.5 . .
H107 C102 H108 109.5 . .
N39 C103 C104 178.5(13) . .
C103 C104 H109 109.5 . .
C103 C104 H110 109.5 . .
H109 C104 H110 109.5 . .
C103 C104 H111 109.5 . .
H109 C104 H111 109.5 . .
H110 C104 H111 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N24 2.037(5) .
Co1 O1 2.051(4) .
Co1 N13 2.113(5) 2_556
Co1 N3 2.136(5) .
Co1 N12 2.192(5) 2_556
Co1 N23 2.372(6) .
Co2 O1 1.927(4) .
Co2 O2 1.959(4) .
Co2 N5 2.048(5) .
Co2 N25 2.066(5) .
Co2 O1W 2.406(5) .
Co3 O3 1.919(4) .
Co3 O2 1.953(4) .
Co3 N6 2.050(5) .
Co3 N27 2.081(5) .
Co4 N28 2.041(5) .
Co4 O3 2.045(4) .
Co4 N8 2.113(5) .
Co4 N20 2.128(5) .
Co4 N22 2.155(6) .
Co4 N30 2.415(5) .
Co5 O4 2.025(4) .
Co5 N32 2.049(5) .
Co5 N9 2.106(5) .
Co5 N19 2.114(5) .
Co5 N11 2.217(6) .
Co5 N31 2.386(6) .
Co6 O4 1.901(4) .
Co6 O5 1.926(4) .
Co6 N17 2.008(5) .
Co6 N33 2.022(5) .
Co7 O6 1.897(4) .
Co7 O5 1.924(4) .
Co7 N35 2.015(5) .
Co7 N16 2.022(5) .
Co8 N36 2.050(5) .
Co8 O6 2.051(4) .
Co8 N14 2.109(5) .
Co8 N2 2.132(5) 2_556
Co8 N1 2.203(5) 2_556
Co8 N38 2.370(6) .
O1 C97 1.436(7) .
O2 C98 1.420(7) .
O3 C99 1.415(9) .
O4 C100 1.438(8) .
O5 C101 1.747(12) .
O6 C102 1.397(8) .
O1W H1WA 0.8501 .
O1W H1WB 0.8499 .
N1 C5 1.328(8) .
N1 C1 1.340(8) .
N1 Co8 2.203(5) 2_556
N2 C6 1.350(7) .
N2 N3 1.373(6) .
N2 Co8 2.132(5) 2_556
N3 C7 1.343(7) .
N4 C7 1.335(7) .
N4 C6 1.354(7) .
N5 C14 1.346(7) .
N5 N6 1.378(6) .
N6 C15 1.350(7) .
N7 C14 1.358(7) .
N7 C15 1.361(7) .
N8 C22 1.356(7) .
N8 N9 1.397(6) .
N9 C23 1.336(7) .
N10 C23 1.366(7) .
N10 C22 1.368(7) .
N11 C24 1.345(8) .
N11 C28 1.364(9) .
N12 C29 1.352(7) .
N12 C33 1.376(7) .
N12 Co1 2.192(5) 2_556
N13 C34 1.317(7) .
N13 N14 1.393(6) .
N13 Co1 2.113(5) 2_556
N14 C35 1.335(7) .
N15 C34 1.359(7) .
N15 C35 1.365(7) .
N16 C42 1.332(7) .
N16 N17 1.407(6) .
N17 C43 1.344(7) .
N18 C42 1.349(7) .
N18 C43 1.362(7) .
N19 C50 1.335(7) .
N19 N20 1.380(6) .
N20 C51 1.326(7) .
N21 C51 1.342(7) .
N21 C50 1.345(8) .
N22 C56 1.332(8) .
N22 C52 1.363(8) .
N23 C57 1.337(8) .
N23 C61 1.385(8) .
N24 C62 1.339(7) .
N24 N25 1.376(6) .
N25 C63 1.364(7) .
N26 C62 1.348(7) .
N26 C63 1.358(7) .
N27 C70 1.358(7) .
N27 N28 1.359(6) .
N28 C71 1.341(7) .
N29 C70 1.347(7) .
N29 C71 1.350(7) .
N30 C72 1.310(9) .
N30 C76 1.318(11) .
N31 C77 1.337(8) .
N31 C81 1.359(7) .
N32 C82 1.310(7) .
N32 N33 1.362(6) .
N33 C83 1.345(7) .
N34 C83 1.354(7) .
N34 C82 1.359(7) .
N35 C90 1.353(7) .
N35 N36 1.367(6) .
N36 C91 1.320(7) .
N37 C90 1.352(7) .
N37 C91 1.375(8) .
N38 C92 1.332(8) .
N38 C96 1.340(8) .
C1 C2 1.362(10) .
C1 H1 0.9500 .
C2 C3 1.402(12) .
C2 H2 0.9500 .
C3 C4 1.415(12) .
C3 H3 0.9500 .
C4 C5 1.404(10) .
C4 H4 0.9500 .
C5 C6 1.467(8) .
C7 C8 1.494(8) .
C8 C13 1.405(8) .
C8 C9 1.408(8) .
C9 C10 1.371(8) .
C9 H9 0.9500 .
C10 C11 1.392(8) .
C10 H10 0.9500 .
C11 C12 1.404(7) .
C11 H11 0.9500 .
C12 C13 1.390(8) .
C12 C14 1.470(8) .
C13 H13 0.9500 .
C15 C16 1.443(8) .
C16 C17 1.386(8) .
C16 C21 1.416(8) .
C17 C18 1.413(9) .
C17 H17 0.9500 .
C18 C19 1.386(8) .
C18 H18 0.9500 .
C19 C20 1.383(8) .
C19 H19 0.9500 .
C20 C21 1.404(8) .
C20 C22 1.478(8) .
C21 H21 0.9500 .
C23 C24 1.444(9) .
C24 C25 1.397(10) .
C25 C26 1.439(12) .
C25 H25 0.9500 .
C26 C27 1.422(12) .
C26 H26 0.9500 .
C27 C28 1.364(11) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.379(8) .
C29 H29 0.9500 .
C30 C31 1.367(9) .
C30 H30 0.9500 .
C31 C32 1.381(8) .
C31 H31 0.9500 .
C32 C33 1.358(8) .
C32 H32 0.9500 .
C33 C34 1.472(8) .
C35 C36 1.448(8) .
C36 C37 1.363(8) .
C36 C41 1.399(8) .
C37 C38 1.372(8) .
C37 H37 0.9500 .
C38 C39 1.369(9) .
C38 H38 0.9500 .
C39 C40 1.382(8) .
C39 H39 0.9500 .
C40 C41 1.370(8) .
C40 C42 1.489(8) .
C41 H41 0.9500 .
C43 C44 1.465(9) .
C44 C49 1.371(8) .
C44 C45 1.401(10) .
C45 C46 1.420(12) .
C45 H45 0.9500 .
C46 C47 1.410(12) .
C46 H46 0.9500 .
C47 C48 1.378(10) .
C47 H47 0.9500 .
C48 C49 1.376(8) .
C48 C50 1.469(9) .
C49 H49 0.9500 .
C51 C52 1.465(9) .
C52 C53 1.377(10) .
C53 C54 1.447(12) .
C53 H53 0.9500 .
C54 C55 1.401(11) .
C54 H54 0.9500 .
C55 C56 1.353(10) .
C55 H55 0.9500 .
C56 H56 0.9500 .
C57 C58 1.394(10) .
C57 H57 0.9500 .
C58 C59 1.367(10) .
C58 H58 0.9500 .
C59 C60 1.394(9) .
C59 H59 0.9500 .
C60 C61 1.372(8) .
C60 H60 0.9500 .
C61 C62 1.463(8) .
C63 C64 1.455(8) .
C64 C65 1.397(8) .
C64 C69 1.403(7) .
C65 C66 1.375(8) .
C65 H65 0.9500 .
C66 C67 1.394(8) .
C66 H66 0.9500 .
C67 C68 1.392(8) .
C67 H67 0.9500 .
C68 C69 1.373(8) .
C68 C70 1.484(8) .
C69 H69 0.9500 .
C71 C72 1.473(10) .
C72 C73 1.401(12) .
C73 C74 1.418(16) .
C73 H73 0.9500 .
C74 C75 1.410(16) .
C74 H74 0.9500 .
C75 C76 1.402(14) .
C75 H75 0.9500 .
C76 H76 0.9500 .
C77 C78 1.380(10) .
C77 H77 0.9500 .
C78 C79 1.383(9) .
C78 H78 0.9500 .
C79 C80 1.370(8) .
C79 H79 0.9500 .
C80 C81 1.417(8) .
C80 H80 0.9500 .
C81 C82 1.452(8) .
C83 C84 1.463(8) .
C84 C85 1.377(8) .
C84 C89 1.387(8) .
C85 C86 1.395(8) .
C85 H85 0.9500 .
C86 C87 1.362(8) .
C86 H86 0.9500 .
C87 C88 1.375(8) .
C87 H87 0.9500 .
C88 C89 1.399(8) .
C88 C90 1.465(8) .
C89 H89 0.9500 .
C91 C92 1.444(9) .
C92 C93 1.363(11) .
C93 C94 1.412(15) .
C93 H93 0.9500 .
C94 C95 1.445(15) .
C94 H94 0.9500 .
C95 C96 1.313(12) .
C95 H95 0.9500 .
C96 H96 0.9500 .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C100 H100 0.9800 .
C100 H101 0.9800 .
C100 H102 0.9800 .
C101 H103 0.9800 .
C101 H104 0.9800 .
C101 H105 0.9800 .
C102 H106 0.9800 .
C102 H107 0.9800 .
C102 H108 0.9800 .
N39 C103 1.136(10) .
C103 C104 1.442(11) .
C104 H109 0.9800 .
C104 H110 0.9800 .
C104 H111 0.9800 .
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
O2 Co2 O1 C97 84.8(5) .
N5 Co2 O1 C97 -63.4(5) .
N25 Co2 O1 C97 -160.9(5) .
O1W Co2 O1 C97 16.5(5) .
O2 Co2 O1 Co1 -107.4(2) .
N5 Co2 O1 Co1 104.5(2) .
N25 Co2 O1 Co1 7.0(2) .
O1W Co2 O1 Co1 -175.6(2) .
N24 Co1 O1 C97 159.3(5) .
N13 Co1 O1 C97 -35.6(5) 2_556
N3 Co1 O1 C97 57.9(5) .
N12 Co1 O1 C97 -111.9(5) 2_556
N23 Co1 O1 C97 137.7(5) .
N24 Co1 O1 Co2 -8.4(2) .
N13 Co1 O1 Co2 156.6(2) 2_556
N3 Co1 O1 Co2 -109.8(2) .
N12 Co1 O1 Co2 80.4(2) 2_556
N23 Co1 O1 Co2 -30.1(5) .
O3 Co3 O2 C98 -73.0(5) .
N6 Co3 O2 C98 136.6(5) .
N27 Co3 O2 C98 34.8(5) .
O3 Co3 O2 Co2 132.29(19) .
N6 Co3 O2 Co2 -18.1(2) .
N27 Co3 O2 Co2 -119.9(2) .
O1 Co2 O2 C98 70.0(5) .
N5 Co2 O2 C98 -136.7(5) .
N25 Co2 O2 C98 -39.4(5) .
O1W Co2 O2 C98 149.3(5) .
O1 Co2 O2 Co3 -135.29(19) .
N5 Co2 O2 Co3 18.0(2) .
N25 Co2 O2 Co3 115.3(2) .
O1W Co2 O2 Co3 -56.04(19) .
O2 Co3 O3 C99 -79.3(6) .
N6 Co3 O3 C99 64.6(6) .
N27 Co3 O3 C99 166.3(6) .
O2 Co3 O3 Co4 108.6(2) .
N6 Co3 O3 Co4 -107.4(3) .
N27 Co3 O3 Co4 -5.7(3) .
N28 Co4 O3 C99 -166.8(6) .
N8 Co4 O3 C99 -66.7(6) .
N20 Co4 O3 C99 25.0(6) .
N22 Co4 O3 C99 101.6(6) .
N30 Co4 O3 C99 -153.3(6) .
N28 Co4 O3 Co3 4.9(2) .
N8 Co4 O3 Co3 105.0(2) .
N20 Co4 O3 Co3 -163.3(3) .
N22 Co4 O3 Co3 -86.7(3) .
N30 Co4 O3 Co3 18.4(6) .
O5 Co6 O4 C100 -57.7(5) .
N17 Co6 O4 C100 62.9(5) .
N33 Co6 O4 C100 171.6(5) .
O5 Co6 O4 Co5 132.8(2) .
N17 Co6 O4 Co5 -106.6(3) .
N33 Co6 O4 Co5 2.1(3) .
N32 Co5 O4 C100 -163.2(6) .
N9 Co5 O4 C100 34.9(6) .
N19 Co5 O4 C100 -59.3(6) .
N11 Co5 O4 C100 111.2(5) .
N31 Co5 O4 C100 -143.3(6) .
N32 Co5 O4 Co6 5.4(2) .
N9 Co5 O4 Co6 -156.6(2) .
N19 Co5 O4 Co6 109.3(2) .
N11 Co5 O4 Co6 -80.2(2) .
N31 Co5 O4 Co6 25.2(6) .
O6 Co7 O5 C101 16.3(7) .
N35 Co7 O5 C101 -99.3(6) .
N16 Co7 O5 C101 151.7(6) .
O6 Co7 O5 Co6 -144.5(2) .
N35 Co7 O5 Co6 99.9(3) .
N16 Co7 O5 Co6 -9.1(3) .
O4 Co6 O5 C101 -16.0(6) .
N17 Co6 O5 C101 -150.6(6) .
N33 Co6 O5 C101 102.0(6) .
O4 Co6 O5 Co7 145.1(2) .
N17 Co6 O5 Co7 10.6(3) .
N33 Co6 O5 Co7 -96.8(3) .
O5 Co7 O6 C102 50.1(5) .
N35 Co7 O6 C102 179.0(5) .
N16 Co7 O6 C102 -70.5(6) .
O5 Co7 O6 Co8 -136.1(2) .
N35 Co7 O6 Co8 -7.2(2) .
N16 Co7 O6 Co8 103.4(3) .
N36 Co8 O6 C102 175.0(6) .
N14 Co8 O6 C102 70.0(6) .
N2 Co8 O6 C102 -21.4(6) 2_556
N1 Co8 O6 C102 -97.7(6) 2_556
N38 Co8 O6 C102 163.4(6) .
N36 Co8 O6 Co7 1.8(2) .
N14 Co8 O6 Co7 -103.2(2) .
N2 Co8 O6 Co7 165.4(2) 2_556
N1 Co8 O6 Co7 89.1(2) 2_556
N38 Co8 O6 Co7 -9.7(6) .
C6 N2 N3 C7 -0.5(6) .
Co8 N2 N3 C7 -145.9(5) 2_556
C6 N2 N3 Co1 -148.6(4) .
Co8 N2 N3 Co1 65.9(6) 2_556
N24 Co1 N3 C7 8.3(6) .
O1 Co1 N3 C7 95.6(6) .
N13 Co1 N3 C7 -171.0(6) 2_556
N12 Co1 N3 C7 -130.4(8) 2_556
N23 Co1 N3 C7 -60.8(6) .
N24 Co1 N3 N2 145.3(4) .
O1 Co1 N3 N2 -127.5(4) .
N13 Co1 N3 N2 -34.1(4) 2_556
N12 Co1 N3 N2 6.5(10) 2_556
N23 Co1 N3 N2 76.1(4) .
O1 Co2 N5 C14 -66.6(6) .
O2 Co2 N5 C14 138.2(5) .
N25 Co2 N5 C14 31.4(6) .
O1W Co2 N5 C14 -154.5(6) .
O1 Co2 N5 N6 143.5(3) .
O2 Co2 N5 N6 -11.7(4) .
N25 Co2 N5 N6 -118.5(4) .
O1W Co2 N5 N6 55.7(4) .
C14 N5 N6 C15 0.4(6) .
Co2 N5 N6 C15 158.9(4) .
C14 N5 N6 Co3 -159.0(4) .
Co2 N5 N6 Co3 -0.5(4) .
O3 Co3 N6 C15 68.8(6) .
O2 Co3 N6 C15 -139.9(5) .
N27 Co3 N6 C15 -30.5(6) .
O3 Co3 N6 N5 -138.8(3) .
O2 Co3 N6 N5 12.5(4) .
N27 Co3 N6 N5 121.8(4) .
N28 Co4 N8 C22 -0.9(6) .
O3 Co4 N8 C22 -88.0(6) .
N20 Co4 N8 C22 179.4(6) .
N22 Co4 N8 C22 127.4(7) .
N30 Co4 N8 C22 67.5(6) .
N28 Co4 N8 N9 -146.9(4) .
O3 Co4 N8 N9 125.9(4) .
N20 Co4 N8 N9 33.4(4) .
N22 Co4 N8 N9 -18.6(8) .
N30 Co4 N8 N9 -78.5(4) .
C22 N8 N9 C23 -1.0(7) .
Co4 N8 N9 C23 154.2(4) .
C22 N8 N9 Co5 143.4(5) .
Co4 N8 N9 Co5 -61.3(6) .
O4 Co5 N9 C23 71.5(5) .
N32 Co5 N9 C23 -14.6(10) .
N19 Co5 N9 C23 170.0(5) .
N11 Co5 N9 C23 -19.0(5) .
N31 Co5 N9 C23 -109.3(5) .
O4 Co5 N9 N8 -71.3(6) .
N32 Co5 N9 N8 -157.4(6) .
N19 Co5 N9 N8 27.3(6) .
N11 Co5 N9 N8 -161.8(6) .
N31 Co5 N9 N8 107.9(5) .
O4 Co5 N11 C24 -78.6(6) .
N32 Co5 N11 C24 -164.9(6) .
N9 Co5 N11 C24 13.7(5) .
N19 Co5 N11 C24 56.5(13) .
N31 Co5 N11 C24 123.9(6) .
O4 Co5 N11 C28 92.9(8) .
N32 Co5 N11 C28 6.6(8) .
N9 Co5 N11 C28 -174.8(8) .
N19 Co5 N11 C28 -132.1(9) .
N31 Co5 N11 C28 -64.7(8) .
C34 N13 N14 C35 0.5(7) .
Co1 N13 N14 C35 -150.3(5) 2_556
C34 N13 N14 Co8 -155.9(4) .
Co1 N13 N14 Co8 53.3(6) 2_556
N36 Co8 N14 C35 4.6(6) .
O6 Co8 N14 C35 92.6(6) .
N2 Co8 N14 C35 -177.2(6) 2_556
N1 Co8 N14 C35 -120.0(7) 2_556
N38 Co8 N14 C35 -63.2(6) .
N36 Co8 N14 N13 154.0(4) .
O6 Co8 N14 N13 -117.9(4) .
N2 Co8 N14 N13 -27.7(4) 2_556
N1 Co8 N14 N13 29.5(8) 2_556
N38 Co8 N14 N13 86.3(4) .
O6 Co7 N16 C42 -76.9(6) .
O5 Co7 N16 C42 155.1(6) .
N35 Co7 N16 C42 31.1(6) .
O6 Co7 N16 N17 131.5(4) .
O5 Co7 N16 N17 3.4(4) .
N35 Co7 N16 N17 -120.5(4) .
C42 N16 N17 C43 0.8(6) .
Co7 N16 N17 C43 159.7(4) .
C42 N16 N17 Co6 -155.3(4) .
Co7 N16 N17 Co6 3.6(5) .
O4 Co6 N17 C43 74.9(6) .
O5 Co6 N17 C43 -156.6(6) .
N33 Co6 N17 C43 -32.3(6) .
O4 Co6 N17 N16 -137.4(3) .
O5 Co6 N17 N16 -8.8(4) .
N33 Co6 N17 N16 115.4(4) .
O4 Co5 N19 C50 -95.2(6) .
N32 Co5 N19 C50 -6.7(6) .
N9 Co5 N19 C50 171.8(6) .
N11 Co5 N19 C50 130.4(10) .
N31 Co5 N19 C50 61.4(6) .
O4 Co5 N19 N20 123.5(4) .
N32 Co5 N19 N20 -148.0(4) .
N9 Co5 N19 N20 30.5(4) .
N11 Co5 N19 N20 -10.9(12) .
N31 Co5 N19 N20 -79.9(4) .
C50 N19 N20 C51 -1.5(7) .
Co5 N19 N20 C51 149.7(4) .
C50 N19 N20 Co4 149.1(5) .
Co5 N19 N20 Co4 -59.7(6) .
N28 Co4 N20 C51 -2.4(12) .
O3 Co4 N20 C51 75.6(5) .
N8 Co4 N20 C51 176.2(5) .
N22 Co4 N20 C51 -20.3(5) .
N30 Co4 N20 C51 -105.1(5) .
N28 Co4 N20 N19 -151.4(8) .
O3 Co4 N20 N19 -73.3(6) .
N8 Co4 N20 N19 27.2(6) .
N22 Co4 N20 N19 -169.2(6) .
N30 Co4 N20 N19 105.9(6) .
N28 Co4 N22 C56 10.7(6) .
O3 Co4 N22 C56 96.2(6) .
N8 Co4 N22 C56 -118.9(7) .
N20 Co4 N22 C56 -173.0(6) .
N30 Co4 N22 C56 -60.7(6) .
N28 Co4 N22 C52 -159.6(5) .
O3 Co4 N22 C52 -74.1(5) .
N8 Co4 N22 C52 70.8(8) .
N20 Co4 N22 C52 16.7(5) .
N30 Co4 N22 C52 129.0(5) .
N24 Co1 N23 C57 -178.9(6) .
O1 Co1 N23 C57 -156.2(5) .
N13 Co1 N23 C57 16.7(6) 2_556
N3 Co1 N23 C57 -72.3(6) .
N12 Co1 N23 C57 94.2(6) 2_556
N24 Co1 N23 C61 -12.9(4) .
O1 Co1 N23 C61 9.8(7) .
N13 Co1 N23 C61 -177.3(4) 2_556
N3 Co1 N23 C61 93.6(4) .
N12 Co1 N23 C61 -99.8(4) 2_556
O1 Co1 N24 C62 -158.9(5) .
N13 Co1 N24 C62 116.0(8) 2_556
N3 Co1 N24 C62 -61.5(5) .
N12 Co1 N24 C62 109.2(5) 2_556
N23 Co1 N24 C62 12.2(4) .
O1 Co1 N24 N25 9.0(4) .
N13 Co1 N24 N25 -76.1(9) 2_556
N3 Co1 N24 N25 106.4(5) .
N12 Co1 N24 N25 -82.9(5) 2_556
N23 Co1 N24 N25 -179.8(5) .
C62 N24 N25 C63 1.0(6) .
Co1 N24 N25 C63 -168.5(4) .
C62 N24 N25 Co2 163.5(4) .
Co1 N24 N25 Co2 -5.9(6) .
O1 Co2 N25 C63 151.7(6) .
O2 Co2 N25 C63 -75.8(6) .
N5 Co2 N25 C63 27.6(6) .
O1W Co2 N25 C63 -11.6(16) .
O1 Co2 N25 N24 -1.0(4) .
O2 Co2 N25 N24 131.5(3) .
N5 Co2 N25 N24 -125.1(4) .
O1W Co2 N25 N24 -164.4(11) .
O3 Co3 N27 C70 -159.5(6) .
O2 Co3 N27 C70 70.2(7) .
N6 Co3 N27 C70 -34.1(7) .
O3 Co3 N27 N28 4.1(4) .
O2 Co3 N27 N28 -126.2(4) .
N6 Co3 N27 N28 129.5(4) .
C70 N27 N28 C71 1.1(7) .
Co3 N27 N28 C71 -168.3(4) .
C70 N27 N28 Co4 167.8(4) .
Co3 N27 N28 Co4 -1.6(6) .
O3 Co4 N28 C71 162.7(6) .
N8 Co4 N28 C71 63.0(6) .
N20 Co4 N28 C71 -118.5(10) .
N22 Co4 N28 C71 -101.2(6) .
N30 Co4 N28 C71 -11.5(5) .
O3 Co4 N28 N27 -1.8(5) .
N8 Co4 N28 N27 -101.5(5) .
N20 Co4 N28 N27 77.0(11) .
N22 Co4 N28 N27 94.3(5) .
N30 Co4 N28 N27 -176.0(5) .
N28 Co4 N30 C72 8.8(5) .
O3 Co4 N30 C72 -5.4(9) .
N8 Co4 N30 C72 -96.7(6) .
N20 Co4 N30 C72 176.3(5) .
N22 Co4 N30 C72 100.9(6) .
N28 Co4 N30 C76 179.5(8) .
O3 Co4 N30 C76 165.3(7) .
N8 Co4 N30 C76 74.0(8) .
N20 Co4 N30 C76 -13.0(9) .
N22 Co4 N30 C76 -88.4(8) .
O4 Co5 N31 C77 150.2(5) .
N32 Co5 N31 C77 171.1(6) .
N9 Co5 N31 C77 -27.8(6) .
N19 Co5 N31 C77 62.4(6) .
N11 Co5 N31 C77 -105.1(6) .
O4 Co5 N31 C81 -24.6(7) .
N32 Co5 N31 C81 -3.7(4) .
N9 Co5 N31 C81 157.3(4) .
N19 Co5 N31 C81 -112.5(4) .
N11 Co5 N31 C81 80.1(4) .
O4 Co5 N32 C82 -179.3(5) .
N9 Co5 N32 C82 -92.3(8) .
N19 Co5 N32 C82 82.9(5) .
N11 Co5 N32 C82 -88.0(5) .
N31 Co5 N32 C82 8.8(5) .
O4 Co5 N32 N33 -18.4(5) .
N9 Co5 N32 N33 68.7(9) .
N19 Co5 N32 N33 -116.1(5) .
N11 Co5 N32 N33 73.0(5) .
N31 Co5 N32 N33 169.7(5) .
C82 N32 N33 C83 0.3(7) .
Co5 N32 N33 C83 -163.2(4) .
C82 N32 N33 Co6 -174.5(4) .
Co5 N32 N33 Co6 22.0(6) .
O4 Co6 N33 C83 176.0(8) .
O5 Co6 N33 C83 49.3(8) .
N17 Co6 N33 C83 -56.3(8) .
O4 Co6 N33 N32 -12.8(4) .
O5 Co6 N33 N32 -139.5(4) .
N17 Co6 N33 N32 114.9(4) .
O6 Co7 N35 C90 -179.4(7) .
O5 Co7 N35 C90 -54.8(8) .
N16 Co7 N35 C90 51.4(7) .
O6 Co7 N35 N36 11.8(4) .
O5 Co7 N35 N36 136.3(3) .
N16 Co7 N35 N36 -117.4(4) .
C90 N35 N36 C91 -0.1(6) .
Co7 N35 N36 C91 173.1(4) .
C90 N35 N36 Co8 172.2(4) .
Co7 N35 N36 Co8 -14.6(6) .
O6 Co8 N36 C91 180.0(5) .
N14 Co8 N36 C91 -79.3(5) .
N2 Co8 N36 C91 106.8(8) 2_556
N1 Co8 N36 C91 81.9(5) 2_556
N38 Co8 N36 C91 -4.9(5) .
O6 Co8 N36 N35 8.8(5) .
N14 Co8 N36 N35 109.6(5) .
N2 Co8 N36 N35 -64.4(9) 2_556
N1 Co8 N36 N35 -89.2(5) 2_556
N38 Co8 N36 N35 -176.1(5) .
N36 Co8 N38 C92 2.4(5) .
O6 Co8 N38 C92 14.6(8) .
N14 Co8 N38 C92 112.5(5) .
N2 Co8 N38 C92 -160.1(5) 2_556
N1 Co8 N38 C92 -86.7(5) 2_556
N36 Co8 N38 C96 -176.0(7) .
O6 Co8 N38 C96 -163.8(6) .
N14 Co8 N38 C96 -65.9(7) .
N2 Co8 N38 C96 21.5(7) 2_556
N1 Co8 N38 C96 94.9(7) 2_556
C5 N1 C1 C2 2.0(12) .
Co8 N1 C1 C2 171.9(6) 2_556
N1 C1 C2 C3 -6.0(14) .
C1 C2 C3 C4 4.8(15) .
C2 C3 C4 C5 0.0(14) .
C1 N1 C5 C4 3.3(12) .
Co8 N1 C5 C4 -168.2(7) 2_556
C1 N1 C5 C6 -175.6(6) .
Co8 N1 C5 C6 12.9(8) 2_556
C3 C4 C5 N1 -4.2(13) .
C3 C4 C5 C6 174.6(7) .
N3 N2 C6 N4 0.5(7) .
Co8 N2 C6 N4 155.4(4) 2_556
N3 N2 C6 C5 -178.2(5) .
Co8 N2 C6 C5 -23.2(7) 2_556
C7 N4 C6 N2 -0.2(7) .
C7 N4 C6 C5 178.3(6) .
N1 C5 C6 N2 6.8(9) .
C4 C5 C6 N2 -172.2(7) .
N1 C5 C6 N4 -171.7(6) .
C4 C5 C6 N4 9.4(12) .
C6 N4 C7 N3 -0.1(7) .
C6 N4 C7 C8 -176.9(5) .
N2 N3 C7 N4 0.4(7) .
Co1 N3 C7 N4 139.4(5) .
N2 N3 C7 C8 177.2(5) .
Co1 N3 C7 C8 -43.9(9) .
N4 C7 C8 C13 151.8(6) .
N3 C7 C8 C13 -24.7(9) .
N4 C7 C8 C9 -26.7(9) .
N3 C7 C8 C9 156.8(6) .
C13 C8 C9 C10 0.7(9) .
C7 C8 C9 C10 179.2(5) .
C8 C9 C10 C11 0.7(9) .
C9 C10 C11 C12 0.2(9) .
C10 C11 C12 C13 -2.4(9) .
C10 C11 C12 C14 175.3(5) .
C11 C12 C13 C8 3.8(9) .
C14 C12 C13 C8 -173.9(5) .
C9 C8 C13 C12 -2.9(8) .
C7 C8 C13 C12 178.6(5) .
N6 N5 C14 N7 -2.2(6) .
Co2 N5 C14 N7 -153.7(4) .
N6 N5 C14 C12 174.0(5) .
Co2 N5 C14 C12 22.5(9) .
C15 N7 C14 N5 3.1(6) .
C15 N7 C14 C12 -173.1(5) .
C13 C12 C14 N5 21.2(9) .
C11 C12 C14 N5 -156.5(5) .
C13 C12 C14 N7 -163.0(5) .
C11 C12 C14 N7 19.3(8) .
N5 N6 C15 N7 1.5(6) .
Co3 N6 C15 N7 155.6(4) .
N5 N6 C15 C16 -174.6(5) .
Co3 N6 C15 C16 -20.5(9) .
C14 N7 C15 N6 -2.7(6) .
C14 N7 C15 C16 173.3(6) .
N6 C15 C16 C17 154.0(6) .
N7 C15 C16 C17 -21.6(9) .
N6 C15 C16 C21 -21.5(9) .
N7 C15 C16 C21 162.9(6) .
C21 C16 C17 C18 2.9(10) .
C15 C16 C17 C18 -172.7(6) .
C16 C17 C18 C19 -0.3(11) .
C17 C18 C19 C20 -1.9(12) .
C18 C19 C20 C21 1.5(11) .
C18 C19 C20 C22 -175.8(7) .
C19 C20 C21 C16 1.1(10) .
C22 C20 C21 C16 178.4(6) .
C17 C16 C21 C20 -3.3(9) .
C15 C16 C21 C20 172.2(6) .
N9 N8 C22 N10 0.4(7) .
Co4 N8 C22 N10 -148.2(5) .
N9 N8 C22 C20 -173.1(6) .
Co4 N8 C22 C20 38.3(10) .
C23 N10 C22 N8 0.4(8) .
C23 N10 C22 C20 174.2(6) .
C19 C20 C22 N8 -153.7(7) .
C21 C20 C22 N8 29.0(10) .
C19 C20 C22 N10 33.1(10) .
C21 C20 C22 N10 -144.1(6) .
N8 N9 C23 N10 1.4(8) .
Co5 N9 C23 N10 -151.6(5) .
N8 N9 C23 C24 176.2(6) .
Co5 N9 C23 C24 23.2(8) .
C22 N10 C23 N9 -1.1(8) .
C22 N10 C23 C24 -175.6(7) .
C28 N11 C24 C25 -0.4(13) .
Co5 N11 C24 C25 171.9(7) .
C28 N11 C24 C23 -178.7(7) .
Co5 N11 C24 C23 -6.3(9) .
N9 C23 C24 N11 -11.1(11) .
N10 C23 C24 N11 163.1(7) .
N9 C23 C24 C25 170.6(7) .
N10 C23 C24 C25 -15.1(12) .
N11 C24 C25 C26 2.7(13) .
C23 C24 C25 C26 -179.2(8) .
C24 C25 C26 C27 -4.4(14) .
C25 C26 C27 C28 4.3(15) .
C24 N11 C28 C27 0.1(14) .
Co5 N11 C28 C27 -170.9(7) .
C26 C27 C28 N11 -2.2(16) .
C33 N12 C29 C30 -1.2(9) .
Co1 N12 C29 C30 160.3(5) 2_556
N12 C29 C30 C31 -0.6(10) .
C29 C30 C31 C32 1.3(11) .
C30 C31 C32 C33 -0.2(11) .
C31 C32 C33 N12 -1.7(10) .
C31 C32 C33 C34 -179.9(6) .
C29 N12 C33 C32 2.4(9) .
Co1 N12 C33 C32 -161.7(5) 2_556
C29 N12 C33 C34 -179.3(5) .
Co1 N12 C33 C34 16.6(6) 2_556
N14 N13 C34 N15 -0.5(7) .
Co1 N13 C34 N15 157.7(4) 2_556
N14 N13 C34 C33 -175.4(5) .
Co1 N13 C34 C33 -17.1(7) 2_556
C35 N15 C34 N13 0.3(7) .
C35 N15 C34 C33 174.9(6) .
C32 C33 C34 N13 178.2(6) .
N12 C33 C34 N13 -0.1(8) .
C32 C33 C34 N15 4.0(11) .
N12 C33 C34 N15 -174.4(6) .
N13 N14 C35 N15 -0.3(7) .
Co8 N14 C35 N15 151.6(4) .
N13 N14 C35 C36 174.8(6) .
Co8 N14 C35 C36 -33.2(10) .
C34 N15 C35 N14 0.0(7) .
C34 N15 C35 C36 -175.3(6) .
N14 C35 C36 C37 142.7(7) .
N15 C35 C36 C37 -42.6(10) .
N14 C35 C36 C41 -37.8(10) .
N15 C35 C36 C41 136.9(7) .
C41 C36 C37 C38 0.4(10) .
C35 C36 C37 C38 179.9(7) .
C36 C37 C38 C39 -2.2(12) .
C37 C38 C39 C40 3.4(12) .
C38 C39 C40 C41 -2.8(11) .
C38 C39 C40 C42 174.8(7) .
C39 C40 C41 C36 1.0(11) .
C42 C40 C41 C36 -176.6(6) .
C37 C36 C41 C40 0.2(10) .
C35 C36 C41 C40 -179.4(6) .
N17 N16 C42 N18 -2.0(7) .
Co7 N16 C42 N18 -155.7(5) .
N17 N16 C42 C40 175.9(5) .
Co7 N16 C42 C40 22.2(9) .
C43 N18 C42 N16 2.3(8) .
C43 N18 C42 C40 -175.5(6) .
C41 C40 C42 N16 30.0(10) .
C39 C40 C42 N16 -147.5(7) .
C41 C40 C42 N18 -152.3(7) .
C39 C40 C42 N18 30.2(11) .
N16 N17 C43 N18 0.6(7) .
Co6 N17 C43 N18 151.0(5) .
N16 N17 C43 C44 -179.6(6) .
Co6 N17 C43 C44 -29.3(10) .
C42 N18 C43 N17 -1.7(8) .
C42 N18 C43 C44 178.5(7) .
N17 C43 C44 C49 -15.4(12) .
N18 C43 C44 C49 164.3(7) .
N17 C43 C44 C45 160.8(7) .
N18 C43 C44 C45 -19.5(12) .
C49 C44 C45 C46 4.5(13) .
C43 C44 C45 C46 -171.9(8) .
C44 C45 C46 C47 -6.7(15) .
C45 C46 C47 C48 4.8(16) .
C46 C47 C48 C49 -0.9(14) .
C46 C47 C48 C50 178.8(8) .
C45 C44 C49 C48 -0.6(13) .
C43 C44 C49 C48 175.6(7) .
C47 C48 C49 C44 -1.3(13) .
C50 C48 C49 C44 179.1(8) .
N20 N19 C50 N21 2.3(8) .
Co5 N19 C50 N21 -141.2(5) .
N20 N19 C50 C48 -176.9(7) .
Co5 N19 C50 C48 39.7(10) .
C51 N21 C50 N19 -2.0(9) .
C51 N21 C50 C48 177.2(7) .
C49 C48 C50 N19 25.9(12) .
C47 C48 C50 N19 -153.7(8) .
C49 C48 C50 N21 -153.2(8) .
C47 C48 C50 N21 27.2(12) .
N19 N20 C51 N21 0.4(8) .
Co4 N20 C51 N21 -158.4(5) .
N19 N20 C51 C52 -179.8(6) .
Co4 N20 C51 C52 21.5(8) .
C50 N21 C51 N20 0.9(9) .
C50 N21 C51 C52 -178.9(8) .
C56 N22 C52 C53 -2.2(12) .
Co4 N22 C52 C53 169.3(7) .
C56 N22 C52 C51 177.5(7) .
Co4 N22 C52 C51 -11.0(8) .
N20 C51 C52 N22 -7.0(10) .
N21 C51 C52 N22 172.8(7) .
N20 C51 C52 C53 172.7(7) .
N21 C51 C52 C53 -7.5(13) .
N22 C52 C53 C54 3.4(14) .
C51 C52 C53 C54 -176.3(8) .
C52 C53 C54 C55 -2.1(14) .
C53 C54 C55 C56 -0.2(14) .
C52 N22 C56 C55 -0.5(12) .
Co4 N22 C56 C55 -170.5(6) .
C54 C55 C56 N22 1.5(14) .
C61 N23 C57 C58 1.4(9) .
Co1 N23 C57 C58 167.0(5) .
N23 C57 C58 C59 -1.9(11) .
C57 C58 C59 C60 -1.0(11) .
C58 C59 C60 C61 4.0(10) .
C59 C60 C61 N23 -4.6(9) .
C59 C60 C61 C62 177.0(6) .
C57 N23 C61 C60 1.9(9) .
Co1 N23 C61 C60 -166.4(5) .
C57 N23 C61 C62 -179.5(5) .
Co1 N23 C61 C62 12.1(6) .
N25 N24 C62 N26 -0.9(7) .
Co1 N24 C62 N26 169.4(4) .
N25 N24 C62 C61 179.7(5) .
Co1 N24 C62 C61 -10.0(7) .
C63 N26 C62 N24 0.4(7) .
C63 N26 C62 C61 179.7(6) .
C60 C61 C62 N24 175.3(6) .
N23 C61 C62 N24 -3.2(8) .
C60 C61 C62 N26 -4.0(10) .
N23 C61 C62 N26 177.5(6) .
C62 N26 C63 N25 0.2(6) .
C62 N26 C63 C64 -178.5(6) .
N24 N25 C63 N26 -0.8(6) .
Co2 N25 C63 N26 -154.5(5) .
N24 N25 C63 C64 178.0(5) .
Co2 N25 C63 C64 24.3(9) .
N26 C63 C64 C65 22.7(9) .
N25 C63 C64 C65 -155.9(6) .
N26 C63 C64 C69 -157.7(6) .
N25 C63 C64 C69 23.7(9) .
C69 C64 C65 C66 1.6(10) .
C63 C64 C65 C66 -178.8(6) .
C64 C65 C66 C67 -2.7(11) .
C65 C66 C67 C68 1.2(11) .
C66 C67 C68 C69 1.4(10) .
C66 C67 C68 C70 -176.1(6) .
C67 C68 C69 C64 -2.5(9) .
C70 C68 C69 C64 175.0(5) .
C65 C64 C69 C68 1.0(9) .
C63 C64 C69 C68 -178.6(6) .
C71 N29 C70 N27 1.4(8) .
C71 N29 C70 C68 175.5(6) .
N28 N27 C70 N29 -1.6(7) .
Co3 N27 C70 N29 162.5(5) .
N28 N27 C70 C68 -176.0(5) .
Co3 N27 C70 C68 -11.8(10) .
C69 C68 C70 N29 159.0(6) .
C67 C68 C70 N29 -23.5(10) .
C69 C68 C70 N27 -27.4(9) .
C67 C68 C70 N27 150.1(6) .
N27 N28 C71 N29 -0.2(8) .
Co4 N28 C71 N29 -167.9(4) .
N27 N28 C71 C72 -179.7(6) .
Co4 N28 C71 C72 12.7(9) .
C70 N29 C71 N28 -0.7(8) .
C70 N29 C71 C72 178.6(8) .
C76 N30 C72 C73 5.1(14) .
Co4 N30 C72 C73 176.9(8) .
C76 N30 C72 C71 -177.4(8) .
Co4 N30 C72 C71 -5.6(9) .
N28 C71 C72 N30 -3.0(11) .
N29 C71 C72 N30 177.7(7) .
N28 C71 C72 C73 174.6(8) .
N29 C71 C72 C73 -4.7(14) .
N30 C72 C73 C74 -3.3(16) .
C71 C72 C73 C74 179.3(9) .
C72 C73 C74 C75 3.1(19) .
C73 C74 C75 C76 -5(2) .
C72 N30 C76 C75 -7.0(16) .
Co4 N30 C76 C75 -177.2(8) .
C74 C75 C76 N30 6.8(19) .
C81 N31 C77 C78 -2.6(10) .
Co5 N31 C77 C78 -177.1(5) .
N31 C77 C78 C79 -1.8(11) .
C77 C78 C79 C80 4.1(11) .
C78 C79 C80 C81 -2.1(10) .
C77 N31 C81 C80 4.6(9) .
Co5 N31 C81 C80 -180.0(5) .
C77 N31 C81 C82 -176.2(6) .
Co5 N31 C81 C82 -0.8(6) .
C79 C80 C81 N31 -2.3(10) .
C79 C80 C81 C82 178.6(6) .
N33 N32 C82 N34 0.4(7) .
Co5 N32 C82 N34 164.8(4) .
N33 N32 C82 C81 -177.0(5) .
Co5 N32 C82 C81 -12.6(8) .
C83 N34 C82 N32 -0.9(7) .
C83 N34 C82 C81 176.1(6) .
N31 C81 C82 N32 7.8(8) .
C80 C81 C82 N32 -173.0(6) .
N31 C81 C82 N34 -169.1(6) .
C80 C81 C82 N34 10.1(10) .
N32 N33 C83 N34 -0.9(7) .
Co6 N33 C83 N34 170.4(5) .
N32 N33 C83 C84 -179.4(5) .
Co6 N33 C83 C84 -8.1(12) .
C82 N34 C83 N33 1.1(7) .
C82 N34 C83 C84 179.6(6) .
N33 C83 C84 C85 176.3(6) .
N34 C83 C84 C85 -2.0(9) .
N33 C83 C84 C89 -4.4(10) .
N34 C83 C84 C89 177.3(6) .
C89 C84 C85 C86 3.0(10) .
C83 C84 C85 C86 -177.7(6) .
C84 C85 C86 C87 -2.3(12) .
C85 C86 C87 C88 1.7(12) .
C86 C87 C88 C89 -1.7(10) .
C86 C87 C88 C90 178.9(7) .
C85 C84 C89 C88 -3.3(10) .
C83 C84 C89 C88 177.5(6) .
C87 C88 C89 C84 2.6(10) .
C90 C88 C89 C84 -178.1(6) .
C91 N37 C90 N35 -0.8(7) .
C91 N37 C90 C88 179.9(6) .
N36 N35 C90 N37 0.6(7) .
Co7 N35 C90 N37 -168.4(5) .
N36 N35 C90 C88 179.9(5) .
Co7 N35 C90 C88 10.9(11) .
C87 C88 C90 N37 3.1(9) .
C89 C88 C90 N37 -176.2(6) .
C87 C88 C90 N35 -176.1(6) .
C89 C88 C90 N35 4.6(9) .
N35 N36 C91 N37 -0.4(7) .
Co8 N36 C91 N37 -173.3(4) .
N35 N36 C91 C92 179.6(6) .
Co8 N36 C91 C92 6.7(9) .
C90 N37 C91 N36 0.7(7) .
C90 N37 C91 C92 -179.2(7) .
C96 N38 C92 C93 -4.6(12) .
Co8 N38 C92 C93 176.8(7) .
C96 N38 C92 C91 178.5(7) .
Co8 N38 C92 C91 -0.2(9) .
N36 C91 C92 N38 -3.7(10) .
N37 C91 C92 N38 176.2(7) .
N36 C91 C92 C93 179.3(8) .
N37 C91 C92 C93 -0.7(14) .
N38 C92 C93 C94 5.7(16) .
C91 C92 C93 C94 -177.5(10) .
C92 C93 C94 C95 -5.4(18) .
C93 C94 C95 C96 4.3(18) .
C94 C95 C96 N38 -3.6(17) .
C92 N38 C96 C95 3.6(14) .
Co8 N38 C96 C95 -178.0(8) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.518 -0.002 5523 1735 ' '
2 0.500 0.983 0.001 5523 1735 ' '
