#------------------------------------------------------------------------------
#$Date: 2020-08-04 04:05:51 +0300 (Tue, 04 Aug 2020) $
#$Revision: 254752 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/87/1558741.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_1558741
loop_
_publ_author_name
'Kephart, Jonathan'
'Romero, Catherine G.'
'Tseng, Chun-Chih'
'Anderton, Kevin J.'
'Yankowitz, Matthew'
'Kaminsky, Werner'
'Velian, Alexandra'
_publ_section_title
;
 Hierarchical Nanosheets Built from Superatomic Clusters: Properties,
 Exfoliation and Single-Crystal-to-Single-Crystal Intercalation
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC03506H
_journal_year                    2020
_chemical_formula_moiety         'C129 H117 Co9 N9 P6 Se8'
_chemical_formula_sum            'C129 H117 Co9 N9 P6 Se8'
_chemical_formula_weight         3141.18
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2019-04-19T11:39:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2020-06-24 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.5790(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.1353(8)
_cell_length_b                   15.1296(5)
_cell_length_c                   33.4288(10)
_cell_measurement_reflns_used    9562
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.27
_cell_measurement_wavelength     0.71073
_cell_volume                     13630.6(7)
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_UB_11      -0.021345
_diffrn_orient_matrix_UB_12      -0.021369
_diffrn_orient_matrix_UB_13      -0.031108
_diffrn_orient_matrix_UB_21      -0.013656
_diffrn_orient_matrix_UB_22      0.061026
_diffrn_orient_matrix_UB_23      -0.00896
_diffrn_orient_matrix_UB_31      0.027117
_diffrn_orient_matrix_UB_32      0.01391
_diffrn_orient_matrix_UB_33      -0.008481
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            66442
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.339
_diffrn_reflns_theta_min         1.362
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.321
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.613
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6236
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.622
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1474
_refine_ls_number_reflns         33870
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0293P)²+3.2635P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.067
_refine_ls_wR_factor_ref         0.0729
_reflns_Friedel_coverage         0
_reflns_number_gt                24832
_reflns_number_total             33870
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc03506h2.cif
_cod_data_source_block           shelx_CCDC2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1558741
_shelx_estimated_absorpt_t_min   0.636
_shelx_estimated_absorpt_t_max   0.754
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.73001(10) 0.61555(18) 0.75021(10) 0.0185(6) Uani 1 1 d . . . . .
C2 C 0.71669(11) 0.64007(18) 0.70623(10) 0.0230(7) Uani 1 1 d . . . . .
H2 H 0.6853 0.6234 0.6831 0.028 Uiso 1 1 calc R U . . .
C3 C 0.74944(12) 0.68912(19) 0.69619(12) 0.0314(8) Uani 1 1 d . . . . .
H3 H 0.74 0.7069 0.6662 0.038 Uiso 1 1 calc R U . . .
C4 C 0.79594(12) 0.7123(2) 0.72967(12) 0.0327(8) Uani 1 1 d . . . . .
H4 H 0.8185 0.7443 0.7224 0.039 Uiso 1 1 calc R U . . .
C5 C 0.80907(11) 0.68881(19) 0.77314(12) 0.0290(8) Uani 1 1 d . . . . .
H5 H 0.8407 0.7051 0.7961 0.035 Uiso 1 1 calc R U . . .
C6 C 0.77623(10) 0.64108(19) 0.78368(11) 0.0244(7) Uani 1 1 d . . . . .
H6 H 0.7854 0.6258 0.8139 0.029 Uiso 1 1 calc R U . . .
C7 C 0.63154(9) 0.56897(17) 0.74288(9) 0.0168(6) Uani 1 1 d . . . . .
C8 C 0.59923(10) 0.51538(19) 0.75183(10) 0.0217(6) Uani 1 1 d . . . . .
H8 H 0.6109 0.4612 0.7674 0.026 Uiso 1 1 calc R U . . .
C9 C 0.55036(10) 0.5405(2) 0.73825(11) 0.0263(7) Uani 1 1 d . . . . .
H9 H 0.5289 0.5037 0.7447 0.032 Uiso 1 1 calc R U . . .
C10 C 0.53277(11) 0.6187(2) 0.71533(11) 0.0288(7) Uani 1 1 d . . . . .
H10 H 0.4994 0.6361 0.7064 0.035 Uiso 1 1 calc R U . . .
C11 C 0.56394(11) 0.6716(2) 0.70548(12) 0.0332(8) Uani 1 1 d . . . . .
H11 H 0.5517 0.7248 0.6891 0.04 Uiso 1 1 calc R U . . .
C12 C 0.61351(10) 0.64729(19) 0.71960(11) 0.0265(7) Uani 1 1 d . . . . .
H12 H 0.6349 0.6845 0.7132 0.032 Uiso 1 1 calc R U . . .
C13 C 0.69966(10) 0.59750(19) 0.84079(9) 0.0193(6) Uani 1 1 d . . . . .
C14 C 0.70063(11) 0.6880(2) 0.83335(10) 0.0266(7) Uani 1 1 d . . . . .
H14 H 0.7132 0.7087 0.8136 0.032 Uiso 1 1 calc R U . . .
C15 C 0.68340(12) 0.7484(2) 0.85449(11) 0.0314(8) Uani 1 1 d . . . . .
H15 H 0.6847 0.8097 0.849 0.038 Uiso 1 1 calc R U . . .
C16 C 0.66437(11) 0.7217(2) 0.88329(11) 0.0307(8) Uani 1 1 d . . . . .
C17 C 0.66365(12) 0.6321(2) 0.89078(11) 0.0337(8) Uani 1 1 d . . . . .
H17 H 0.6513 0.6119 0.9108 0.04 Uiso 1 1 calc R U . . .
C18 C 0.68044(11) 0.5710(2) 0.86982(10) 0.0269(7) Uani 1 1 d . . . . .
H18 H 0.6788 0.5098 0.8754 0.032 Uiso 1 1 calc R U . . .
C19 C 0.64269(15) 0.7879(2) 0.90414(13) 0.0532(11) Uani 1 1 d . . . . .
H19A H 0.6685 0.83 0.9226 0.08 Uiso 1 1 calc R U . . .
H19B H 0.6304 0.7564 0.9228 0.08 Uiso 1 1 calc R U . . .
H19C H 0.6152 0.8198 0.8804 0.08 Uiso 1 1 calc R U . . .
C20 C 0.85135(10) 0.2098(2) 0.89308(10) 0.0247(7) Uani 1 1 d . . . . .
C21 C 0.88751(11) 0.2690(3) 0.92032(11) 0.0411(9) Uani 1 1 d . . . . .
H21 H 0.8778 0.3252 0.9264 0.049 Uiso 1 1 calc R U . . .
C22 C 0.93751(13) 0.2475(3) 0.93877(13) 0.0620(13) Uani 1 1 d . . . . .
H22 H 0.9617 0.2888 0.9574 0.074 Uiso 1 1 calc R U . . .
C23 C 0.95211(14) 0.1668(4) 0.93018(14) 0.0682(15) Uani 1 1 d . . . . .
H23 H 0.9863 0.1516 0.9432 0.082 Uiso 1 1 calc R U . . .
C24 C 0.91673(14) 0.1074(3) 0.90246(13) 0.0524(11) Uani 1 1 d . . . . .
H24 H 0.9267 0.0515 0.8964 0.063 Uiso 1 1 calc R U . . .
C25 C 0.86684(12) 0.1294(2) 0.88356(11) 0.0350(8) Uani 1 1 d . . . . .
H25 H 0.8429 0.089 0.8638 0.042 Uiso 1 1 calc R U . . .
C26 C 0.75100(11) 0.1637(2) 0.88191(9) 0.0223(6) Uani 1 1 d . . . . .
C27 C 0.70726(10) 0.1933(2) 0.88222(9) 0.0258(7) Uani 1 1 d . . . . .
H27 H 0.6989 0.2542 0.8778 0.031 Uiso 1 1 calc R U . . .
C28 C 0.67586(12) 0.1341(3) 0.88898(10) 0.0360(9) Uani 1 1 d . . . . .
H28 H 0.6462 0.1551 0.889 0.043 Uiso 1 1 calc R U . . .
C29 C 0.68725(13) 0.0460(3) 0.89555(11) 0.0425(10) Uani 1 1 d . . . . .
H29 H 0.6655 0.0059 0.8999 0.051 Uiso 1 1 calc R U . . .
C30 C 0.73050(16) 0.0160(2) 0.89576(13) 0.0507(11) Uani 1 1 d . . . . .
H30 H 0.739 -0.0448 0.9009 0.061 Uiso 1 1 calc R U . . .
C31 C 0.76179(14) 0.0748(2) 0.88844(12) 0.0394(9) Uani 1 1 d . . . . .
H31 H 0.7911 0.0531 0.8879 0.047 Uiso 1 1 calc R U . . .
C32 C 0.79120(10) 0.3423(2) 0.93678(9) 0.0219(6) Uani 1 1 d . . . . .
C33 C 0.77577(11) 0.4179(2) 0.95111(10) 0.0292(7) Uani 1 1 d . . . . .
H33 H 0.7597 0.4639 0.9303 0.035 Uiso 1 1 calc R U . . .
C34 C 0.78329(12) 0.4274(2) 0.99498(11) 0.0358(8) Uani 1 1 d . . . . .
H34 H 0.7726 0.4799 1.0037 0.043 Uiso 1 1 calc R U . . .
C35 C 0.80620(11) 0.3611(2) 1.02654(11) 0.0355(8) Uani 1 1 d . . . . .
C36 C 0.82133(11) 0.2862(2) 1.01229(10) 0.0318(8) Uani 1 1 d . . . . .
H36 H 0.8373 0.2403 1.0332 0.038 Uiso 1 1 calc R U . . .
C37 C 0.81390(10) 0.2759(2) 0.96834(10) 0.0251(7) Uani 1 1 d . . . . .
H37 H 0.8244 0.2231 0.9598 0.03 Uiso 1 1 calc R U . . .
C38 C 0.81520(14) 0.3710(3) 1.07458(11) 0.0538(11) Uani 1 1 d . . . . .
H38A H 0.7993 0.3219 1.0824 0.081 Uiso 1 1 calc R U . . .
H38B H 0.8011 0.4271 1.0782 0.081 Uiso 1 1 calc R U . . .
H38C H 0.851 0.3702 1.0943 0.081 Uiso 1 1 calc R U . . .
C39 C 0.90335(10) 0.4212(2) 0.77094(11) 0.0280(7) Uani 1 1 d . . . . .
C40 C 0.93214(11) 0.4869(2) 0.76463(13) 0.0406(9) Uani 1 1 d . . . . .
H40 H 0.9257 0.5039 0.7352 0.049 Uiso 1 1 calc R U . . .
C41 C 0.97017(13) 0.5275(3) 0.80109(16) 0.0582(12) Uani 1 1 d . . . . .
H41 H 0.99 0.5716 0.7966 0.07 Uiso 1 1 calc R U . . .
C42 C 0.97915(13) 0.5036(3) 0.84406(16) 0.0624(13) Uani 1 1 d . . . . .
H42 H 1.0045 0.5324 0.8691 0.075 Uiso 1 1 calc R U . . .
C43 C 0.95108(12) 0.4375(3) 0.85057(13) 0.0521(11) Uani 1 1 d . . . . .
H43 H 0.9576 0.4202 0.88 0.063 Uiso 1 1 calc R U . . .
C44 C 0.91331(10) 0.3966(2) 0.81378(11) 0.0338(8) Uani 1 1 d . . . . .
H44 H 0.8942 0.3513 0.8183 0.041 Uiso 1 1 calc R U . . .
C45 C 0.84302(10) 0.42481(19) 0.67496(11) 0.0249(7) Uani 1 1 d . . . . .
C46 C 0.83319(11) 0.5150(2) 0.67423(12) 0.0335(8) Uani 1 1 d . . . . .
H46 H 0.8375 0.5439 0.7009 0.04 Uiso 1 1 calc R U . . .
C47 C 0.81712(14) 0.5631(2) 0.63457(14) 0.0492(10) Uani 1 1 d . . . . .
H47 H 0.8114 0.6248 0.6345 0.059 Uiso 1 1 calc R U . . .
C48 C 0.80956(16) 0.5212(3) 0.59550(14) 0.0578(12) Uani 1 1 d . . . . .
H48 H 0.799 0.5543 0.5686 0.069 Uiso 1 1 calc R U . . .
C49 C 0.81729(15) 0.4319(3) 0.59523(13) 0.0527(11) Uani 1 1 d . . . . .
H49 H 0.8112 0.403 0.568 0.063 Uiso 1 1 calc R U . . .
C50 C 0.83398(12) 0.3837(2) 0.63469(11) 0.0345(8) Uani 1 1 d . . . . .
H50 H 0.8393 0.3219 0.6342 0.041 Uiso 1 1 calc R U . . .
C51 C 0.93100(10) 0.26988(18) 0.71650(10) 0.0211(6) Uani 1 1 d . . . . .
C52 C 0.93183(11) 0.2438(2) 0.67705(11) 0.0297(7) Uani 1 1 d . . . . .
H52 H 0.9017 0.2274 0.6521 0.036 Uiso 1 1 calc R U . . .
C53 C 0.97651(13) 0.2411(2) 0.67327(13) 0.0406(9) Uani 1 1 d . . . . .
H53 H 0.976 0.2235 0.6458 0.049 Uiso 1 1 calc R U . . .
C54 C 1.02095(12) 0.2636(2) 0.70886(14) 0.0415(9) Uani 1 1 d . . . . .
C55 C 1.02028(11) 0.2907(2) 0.74777(13) 0.0391(9) Uani 1 1 d . . . . .
H55 H 1.0504 0.3084 0.7723 0.047 Uiso 1 1 calc R U . . .
C56 C 0.97648(10) 0.2929(2) 0.75226(11) 0.0292(7) Uani 1 1 d . . . . .
H56 H 0.9775 0.3103 0.78 0.035 Uiso 1 1 calc R U . . .
C57 C 1.06928(14) 0.2578(3) 0.70537(17) 0.0704(15) Uani 1 1 d . . . . .
H57A H 1.087 0.2039 0.7203 0.106 Uiso 1 1 calc R U . . .
H57B H 1.0898 0.3095 0.7198 0.106 Uiso 1 1 calc R U . . .
H57C H 1.0623 0.2561 0.6738 0.106 Uiso 1 1 calc R U . . .
C58 C 0.72689(10) -0.02487(18) 0.65918(10) 0.0191(6) Uani 1 1 d . . . . .
C59 C 0.71346(11) 0.0143(2) 0.61733(10) 0.0257(7) Uani 1 1 d . . . . .
H59 H 0.7307 0.065 0.615 0.031 Uiso 1 1 calc R U . . .
C60 C 0.67515(13) -0.0207(2) 0.57939(11) 0.0369(8) Uani 1 1 d . . . . .
H60 H 0.6663 0.0061 0.5511 0.044 Uiso 1 1 calc R U . . .
C61 C 0.64968(13) -0.0944(2) 0.58228(12) 0.0418(9) Uani 1 1 d . . . . .
H61 H 0.6229 -0.1173 0.5562 0.05 Uiso 1 1 calc R U . . .
C62 C 0.66310(12) -0.1346(2) 0.62283(11) 0.0342(8) Uani 1 1 d . . . . .
H62 H 0.6459 -0.1859 0.6246 0.041 Uiso 1 1 calc R U . . .
C63 C 0.70162(10) -0.10083(19) 0.66131(10) 0.0239(7) Uani 1 1 d . . . . .
H63 H 0.7108 -0.1295 0.6892 0.029 Uiso 1 1 calc R U . . .
C64 C 0.78832(10) -0.03898(17) 0.75669(10) 0.0186(6) Uani 1 1 d . . . . .
C65 C 0.83842(10) -0.05531(19) 0.78566(10) 0.0231(7) Uani 1 1 d . . . . .
H65 H 0.8634 -0.0366 0.7775 0.028 Uiso 1 1 calc R U . . .
C66 C 0.85183(12) -0.0986(2) 0.82616(11) 0.0324(8) Uani 1 1 d . . . . .
H66 H 0.8859 -0.1088 0.8457 0.039 Uiso 1 1 calc R U . . .
C67 C 0.81568(13) -0.1271(2) 0.83813(11) 0.0336(8) Uani 1 1 d . . . . .
H67 H 0.8249 -0.1566 0.8658 0.04 Uiso 1 1 calc R U . . .
C68 C 0.76630(12) -0.11242(19) 0.80965(11) 0.0282(7) Uani 1 1 d . . . . .
H68 H 0.7415 -0.133 0.8176 0.034 Uiso 1 1 calc R U . . .
C69 C 0.75252(11) -0.06799(18) 0.76965(10) 0.0221(6) Uani 1 1 d . . . . .
H69 H 0.7184 -0.057 0.7508 0.027 Uiso 1 1 calc R U . . .
C70 C 0.84169(9) -0.01804(18) 0.68226(9) 0.0188(6) Uani 1 1 d . . . . .
C71 C 0.87675(10) 0.0068(2) 0.66761(10) 0.0238(7) Uani 1 1 d . . . . .
H71 H 0.8875 0.0666 0.6709 0.029 Uiso 1 1 calc R U . . .
C72 C 0.89608(11) -0.0535(2) 0.64852(11) 0.0331(8) Uani 1 1 d . . . . .
H72 H 0.92 -0.0343 0.6391 0.04 Uiso 1 1 calc R U . . .
C73 C 0.88137(12) -0.1415(2) 0.64275(12) 0.0387(9) Uani 1 1 d . . . . .
C74 C 0.84742(12) -0.1667(2) 0.65795(13) 0.0437(10) Uani 1 1 d . . . . .
H74 H 0.8372 -0.2267 0.6552 0.052 Uiso 1 1 calc R U . . .
C75 C 0.82796(11) -0.1065(2) 0.67715(11) 0.0305(8) Uani 1 1 d . . . . .
H75 H 0.8046 -0.1262 0.6871 0.037 Uiso 1 1 calc R U . . .
C76 C 0.90330(15) -0.2088(3) 0.62285(15) 0.0657(13) Uani 1 1 d . . . . .
H76A H 0.8947 -0.2685 0.6283 0.099 Uiso 1 1 d R U . . .
H76B H 0.9395 -0.2024 0.6369 0.099 Uiso 1 1 d R U . . .
H76C H 0.8899 -0.1989 0.5906 0.099 Uiso 1 1 d R U . . .
C77 C 0.66612(9) 0.31208(19) 0.55373(9) 0.0195(6) Uani 1 1 d . . . . .
C78 C 0.67482(10) 0.2228(2) 0.54985(10) 0.0229(7) Uani 1 1 d . . . . .
H78 H 0.6684 0.1807 0.5677 0.027 Uiso 1 1 calc R U . . .
C79 C 0.69272(10) 0.1944(2) 0.52048(10) 0.0291(7) Uani 1 1 d . . . . .
H79 H 0.6984 0.1332 0.5182 0.035 Uiso 1 1 calc R U . . .
C80 C 0.70235(11) 0.2560(2) 0.49426(10) 0.0333(8) Uani 1 1 d . . . . .
H80 H 0.7142 0.237 0.4737 0.04 Uiso 1 1 calc R U . . .
C81 C 0.69461(11) 0.3444(2) 0.49832(11) 0.0348(8) Uani 1 1 d . . . . .
H81 H 0.7018 0.3864 0.4809 0.042 Uiso 1 1 calc R U . . .
C82 C 0.67629(10) 0.3731(2) 0.52762(10) 0.0275(7) Uani 1 1 d . . . . .
H82 H 0.6707 0.4343 0.5299 0.033 Uiso 1 1 calc R U . . .
C83 C 0.62592(10) 0.45958(18) 0.58168(9) 0.0191(6) Uani 1 1 d . . . . .
C84 C 0.66137(11) 0.5251(2) 0.59002(10) 0.0286(7) Uani 1 1 d . . . . .
H84 H 0.6952 0.5092 0.6 0.034 Uiso 1 1 calc R U . . .
C85 C 0.64751(14) 0.6142(2) 0.58378(11) 0.0396(9) Uani 1 1 d . . . . .
H85 H 0.6718 0.6587 0.5891 0.047 Uiso 1 1 calc R U . . .
C86 C 0.59863(14) 0.6374(2) 0.56991(11) 0.0414(9) Uani 1 1 d . . . . .
H86 H 0.5895 0.698 0.5663 0.05 Uiso 1 1 calc R U . . .
C87 C 0.56281(13) 0.5740(2) 0.56124(11) 0.0352(8) Uani 1 1 d . . . . .
H87 H 0.5291 0.5905 0.5515 0.042 Uiso 1 1 calc R U . . .
C88 C 0.57662(11) 0.4855(2) 0.56694(10) 0.0253(7) Uani 1 1 d . . . . .
H88 H 0.5519 0.4416 0.5606 0.03 Uiso 1 1 calc R U . . .
C89 C 0.56216(9) 0.25213(18) 0.53123(9) 0.0166(6) Uani 1 1 d . . . . .
C90 C 0.54669(10) 0.16383(19) 0.52522(10) 0.0228(7) Uani 1 1 d . . . . .
H90 H 0.5544 0.1276 0.5507 0.027 Uiso 1 1 calc R U . . .
C91 C 0.52039(11) 0.1282(2) 0.48286(10) 0.0267(7) Uani 1 1 d . . . . .
H91 H 0.5097 0.0685 0.48 0.032 Uiso 1 1 calc R U . . .
C92 C 0.50932(10) 0.1776(2) 0.44454(10) 0.0274(7) Uani 1 1 d . . . . .
C93 C 0.52651(10) 0.2641(2) 0.45060(10) 0.0259(7) Uani 1 1 d . . . . .
H93 H 0.5207 0.2987 0.425 0.031 Uiso 1 1 calc R U . . .
C94 C 0.55178(10) 0.3015(2) 0.49264(9) 0.0219(6) Uani 1 1 d . . . . .
H94 H 0.5622 0.3614 0.4953 0.026 Uiso 1 1 calc R U . . .
C95 C 0.48002(12) 0.1397(2) 0.39834(11) 0.0410(9) Uani 1 1 d . . . . .
H95A H 0.4988 0.1471 0.381 0.061 Uiso 1 1 calc R U . . .
H95B H 0.4482 0.1708 0.3833 0.061 Uiso 1 1 calc R U . . .
H95C H 0.474 0.0767 0.4006 0.061 Uiso 1 1 calc R U . . .
C96 C 0.55645(9) 0.23237(18) 0.73928(9) 0.0166(6) Uani 1 1 d . . . . .
C97 C 0.50940(10) 0.26891(18) 0.71464(10) 0.0201(6) Uani 1 1 d . . . . .
H97 H 0.4924 0.2595 0.6833 0.024 Uiso 1 1 calc R U . . .
C98 C 0.48715(10) 0.31885(19) 0.73551(11) 0.0249(7) Uani 1 1 d . . . . .
H98 H 0.4551 0.3432 0.7183 0.03 Uiso 1 1 calc R U . . .
C99 C 0.51145(11) 0.33342(19) 0.78134(11) 0.0261(7) Uani 1 1 d . . . . .
H99 H 0.4963 0.3682 0.7955 0.031 Uiso 1 1 calc R U . . .
C100 C 0.55781(10) 0.29697(19) 0.80619(10) 0.0232(7) Uani 1 1 d . . . . .
H100 H 0.5744 0.306 0.8376 0.028 Uiso 1 1 calc R U . . .
C101 C 0.58035(10) 0.24712(18) 0.78535(9) 0.0177(6) Uani 1 1 d . . . . .
H101 H 0.6124 0.2228 0.8027 0.021 Uiso 1 1 calc R U . . .
C102 C 0.59551(9) 0.06185(17) 0.72657(9) 0.0148(6) Uani 1 1 d . . . . .
C103 C 0.60330(9) 0.03522(18) 0.76888(9) 0.0181(6) Uani 1 1 d . . . . .
H103 H 0.5991 0.0765 0.7883 0.022 Uiso 1 1 calc R U . . .
C104 C 0.61712(10) -0.05102(19) 0.78314(10) 0.0204(6) Uani 1 1 d . . . . .
H104 H 0.6234 -0.0679 0.8126 0.024 Uiso 1 1 calc R U . . .
C105 C 0.62176(9) -0.11261(19) 0.75454(10) 0.0207(6) Uani 1 1 d . . . . .
H105 H 0.6306 -0.1719 0.7641 0.025 Uiso 1 1 calc R U . . .
C106 C 0.61338(9) -0.08711(18) 0.71205(10) 0.0200(6) Uani 1 1 d . . . . .
H106 H 0.6164 -0.1291 0.6923 0.024 Uiso 1 1 calc R U . . .
C107 C 0.60053(9) -0.00044(18) 0.69808(9) 0.0174(6) Uani 1 1 d . . . . .
H107 H 0.5951 0.0166 0.6689 0.021 Uiso 1 1 calc R U . . .
C108 C 0.50494(9) 0.12775(18) 0.63509(9) 0.0171(6) Uani 1 1 d . . . . .
C109 C 0.48060(10) 0.12161(19) 0.58853(10) 0.0214(6) Uani 1 1 d . . . . .
H109 H 0.4917 0.1572 0.5714 0.026 Uiso 1 1 calc R U . . .
C110 C 0.44091(10) 0.0656(2) 0.56653(10) 0.0260(7) Uani 1 1 d . . . . .
H110 H 0.4255 0.0635 0.5348 0.031 Uiso 1 1 calc R U . . .
C111 C 0.42297(10) 0.0121(2) 0.58986(10) 0.0246(7) Uani 1 1 d . . . . .
C112 C 0.44491(10) 0.02141(19) 0.63580(10) 0.0236(7) Uani 1 1 d . . . . .
H112 H 0.4324 -0.012 0.6526 0.028 Uiso 1 1 calc R U . . .
C113 C 0.48491(9) 0.07826(18) 0.65838(10) 0.0193(6) Uani 1 1 d . . . . .
H113 H 0.4987 0.0834 0.69 0.023 Uiso 1 1 calc R U . . .
C114 C 0.38142(11) -0.0527(2) 0.56617(12) 0.0373(8) Uani 1 1 d . . . . .
H11A H 0.3705 -0.077 0.5874 0.056 Uiso 1 1 calc R U . . .
H11B H 0.3932 -0.1008 0.5537 0.056 Uiso 1 1 calc R U . . .
H11C H 0.3536 -0.0225 0.5419 0.056 Uiso 1 1 calc R U . . .
N7 N 0.8304(9) 0.526(2) 0.9015(10) 0.0266(11) Uani 0.146(7) 1 d D U P A 1
C115 C 0.8756(9) 0.5076(17) 0.9069(10) 0.0464(13) Uani 0.146(7) 1 d D U P A 1
H115 H 0.8832 0.4519 0.8983 0.056 Uiso 0.146(7) 1 calc R U P A 1
C116 C 0.9122(10) 0.573(2) 0.9258(12) 0.0627(16) Uani 0.146(7) 1 d D U P A 1
H116 H 0.9414 0.5708 0.9217 0.075 Uiso 0.146(7) 1 calc R U P A 1
C117 C 0.9062(11) 0.641(2) 0.9500(13) 0.085(2) Uani 0.146(7) 1 d D U P A 1
H117 H 0.9324 0.6817 0.9652 0.102 Uiso 0.146(7) 1 calc R U P A 1
C118 C 0.8622(10) 0.6500(19) 0.9523(11) 0.0676(17) Uani 0.146(7) 1 d D U P A 1
H118 H 0.8567 0.6967 0.9685 0.081 Uiso 0.146(7) 1 calc R U P A 1
C119 C 0.8266(9) 0.5880(18) 0.9300(10) 0.0407(12) Uani 0.146(7) 1 d D U P A 1
H119 H 0.7976 0.5877 0.9343 0.049 Uiso 0.146(7) 1 calc R U P A 1
N27 N 0.82622(16) 0.5368(3) 0.89201(13) 0.0266(11) Uani 0.854(7) 1 d D . P A 2
C215 C 0.86700(16) 0.5365(3) 0.88772(14) 0.0464(13) Uani 0.854(7) 1 d D . P A 2
H215 H 0.8733 0.4875 0.8733 0.056 Uiso 0.854(7) 1 calc R U P A 2
C216 C 0.90187(18) 0.6042(4) 0.90312(18) 0.0627(16) Uani 0.854(7) 1 d D . P A 2
H216 H 0.9313 0.6017 0.8993 0.075 Uiso 0.854(7) 1 calc R U P A 2
C217 C 0.8925(2) 0.6750(4) 0.9240(2) 0.085(2) Uani 0.854(7) 1 d D . P A 2
H217 H 0.9158 0.7219 0.9348 0.102 Uiso 0.854(7) 1 calc R U P A 2
C218 C 0.8502(2) 0.6791(4) 0.92953(18) 0.0676(17) Uani 0.854(7) 1 d D . P A 2
H218 H 0.8432 0.7276 0.9439 0.081 Uiso 0.854(7) 1 calc R U P A 2
C219 C 0.81902(16) 0.6098(3) 0.91320(15) 0.0407(12) Uani 0.854(7) 1 d D . P A 2
H219 H 0.7894 0.6114 0.9166 0.049 Uiso 0.854(7) 1 calc R U P A 2
C120 C 0.95760(12) 0.0281(2) 0.77636(12) 0.0387(9) Uani 1 1 d . . . . .
H120 H 0.9425 -0.0065 0.7499 0.046 Uiso 1 1 calc R U . . .
C121 C 1.00345(13) 0.0026(3) 0.80883(13) 0.0477(10) Uani 1 1 d . . . . .
H121 H 1.019 -0.0486 0.8045 0.057 Uiso 1 1 calc R U . . .
C122 C 1.02657(14) 0.0504(3) 0.84707(15) 0.0542(11) Uani 1 1 d . . . . .
H122 H 1.0587 0.0346 0.8693 0.065 Uiso 1 1 calc R U . . .
C123 C 1.00228(13) 0.1212(3) 0.85244(13) 0.0460(10) Uani 1 1 d . . . . .
H123 H 1.017 0.1553 0.8791 0.055 Uiso 1 1 calc R U . . .
C124 C 0.95557(11) 0.1441(2) 0.81880(11) 0.0330(8) Uani 1 1 d . . . . .
H124 H 0.9391 0.1935 0.8235 0.04 Uiso 1 1 calc R U . . .
C125 C 0.49826(10) 0.4179(2) 0.62682(11) 0.0277(7) Uani 1 1 d D . . . .
H125 H 0.5234 0.419 0.6569 0.033 Uiso 1 1 calc R U . . .
C126 C 0.46035(12) 0.4793(2) 0.61342(12) 0.0401(9) Uani 1 1 d D . . . .
H126 H 0.4588 0.519 0.6348 0.048 Uiso 1 1 calc R U . . .
C127 C 0.42578(13) 0.4834(2) 0.57079(13) 0.0443(9) Uani 1 1 d D . . . .
H127 H 0.4001 0.5265 0.5614 0.053 Uiso 1 1 calc R U . . .
C128 C 0.42842(12) 0.4247(2) 0.54153(12) 0.0374(8) Uani 1 1 d D . . . .
H128 H 0.4051 0.4278 0.5109 0.045 Uiso 1 1 calc R U . . .
C129 C 0.46470(10) 0.3603(2) 0.55565(10) 0.0279(7) Uani 1 1 d D . . . .
H129 H 0.4645 0.3175 0.5348 0.034 Uiso 1 1 calc R U . . .
N1 N 0.71704(8) 0.53181(14) 0.82058(8) 0.0174(5) Uani 1 1 d . . . . .
N2 N 0.78299(8) 0.33966(15) 0.89148(8) 0.0189(5) Uani 1 1 d . . . . .
N3 N 0.88607(8) 0.26531(15) 0.72081(8) 0.0187(5) Uani 1 1 d . . . . .
N4 N 0.82417(8) 0.04654(15) 0.70198(8) 0.0176(5) Uani 1 1 d . . . . .
N5 N 0.58732(8) 0.28664(15) 0.57510(7) 0.0158(5) Uani 1 1 d . . . . .
N6 N 0.54739(7) 0.18253(14) 0.65500(7) 0.0146(5) Uani 1 1 d . . . . .
N8 N 0.93282(8) 0.09958(15) 0.78008(8) 0.0221(5) Uani 1 1 d . . . . .
N9 N 0.50079(8) 0.35639(15) 0.59870(8) 0.0184(5) Uani 1 1 d D . . . .
P1 P 0.69586(2) 0.53172(5) 0.76498(2) 0.01598(15) Uani 1 1 d . . . . .
P2 P 0.78622(3) 0.24561(5) 0.86663(2) 0.01777(16) Uani 1 1 d . . . . .
P3 P 0.85696(3) 0.35655(5) 0.72460(3) 0.01845(16) Uani 1 1 d . . . . .
P4 P 0.77264(2) 0.03434(5) 0.70841(2) 0.01565(15) Uani 1 1 d . . . . .
P5 P 0.64105(2) 0.34123(5) 0.59254(2) 0.01523(15) Uani 1 1 d . . . . .
P6 P 0.58744(2) 0.17828(5) 0.70919(2) 0.01386(14) Uani 1 1 d . . . . .
Co1 Co 0.70632(2) 0.40602(2) 0.74061(2) 0.01335(8) Uani 1 1 d . . . . .
Co2 Co 0.75886(2) 0.25939(2) 0.79587(2) 0.01368(8) Uani 1 1 d . . . . .
Co3 Co 0.79081(2) 0.32681(2) 0.73099(2) 0.01365(8) Uani 1 1 d . . . . .
Co4 Co 0.74429(2) 0.15888(2) 0.71732(2) 0.01295(8) Uani 1 1 d . . . . .
Co5 Co 0.68832(2) 0.30942(2) 0.66116(2) 0.01353(8) Uani 1 1 d . . . . .
Co6 Co 0.65799(2) 0.23529(2) 0.72276(2) 0.01280(8) Uani 1 1 d . . . . .
Co7 Co 0.76875(2) 0.44865(3) 0.85615(2) 0.02258(9) Uani 1 1 d . . . . .
Co8 Co 0.86502(2) 0.15029(2) 0.73155(2) 0.01885(9) Uani 1 1 d . . . . .
Co9 Co 0.56189(2) 0.27055(3) 0.61943(2) 0.01697(8) Uani 1 1 d . . . . .
Se1 Se 0.68438(2) 0.32174(2) 0.78694(2) 0.01383(6) Uani 1 1 d . . . . .
Se2 Se 0.78993(2) 0.40193(2) 0.79393(2) 0.01574(6) Uani 1 1 d . . . . .
Se3 Se 0.82130(2) 0.20019(2) 0.77676(2) 0.01448(6) Uani 1 1 d . . . . .
Se4 Se 0.76015(2) 0.24220(2) 0.66617(2) 0.01404(6) Uani 1 1 d . . . . .
Se5 Se 0.66196(2) 0.16356(2) 0.66259(2) 0.01367(6) Uani 1 1 d . . . . .
Se6 Se 0.62770(2) 0.36732(2) 0.68049(2) 0.01394(6) Uani 1 1 d . . . . .
Se7 Se 0.71408(2) 0.12992(2) 0.76906(2) 0.01367(6) Uani 1 1 d . . . . .
Se8 Se 0.73570(2) 0.43665(2) 0.68827(2) 0.01430(6) 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 0 '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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 '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
_geom_angle_publ_flag
C2 C1 C6 119.1(2) . . ?
C2 C1 P1 122.5(2) . . ?
C6 C1 P1 117.0(2) . . ?
C1 C2 C3 119.8(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 120.6(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 120.6(3) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C12 C7 C8 118.7(2) . . ?
C12 C7 P1 124.6(2) . . ?
C8 C7 P1 116.7(2) . . ?
C9 C8 C7 120.7(3) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C10 C9 C8 120.3(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.7(3) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 120.3(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 120.3(3) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C18 C13 C14 117.1(2) . . ?
C18 C13 N1 119.0(3) . . ?
C14 C13 N1 123.9(2) . . ?
C15 C14 C13 120.8(3) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C16 C15 C14 121.8(3) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C17 C16 C15 117.3(3) . . ?
C17 C16 C19 121.2(3) . . ?
C15 C16 C19 121.5(3) . . ?
C16 C17 C18 121.6(3) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C17 C18 C13 121.4(3) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 118.0(3) . . ?
C21 C20 P2 118.7(2) . . ?
C25 C20 P2 122.9(2) . . ?
C22 C21 C20 121.1(4) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C23 C22 C21 120.2(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 119.6(3) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 120.2(4) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C20 120.8(4) . . ?
C24 C25 H25 119.6 . . ?
C20 C25 H25 119.6 . . ?
C31 C26 C27 117.9(3) . . ?
C31 C26 P2 125.1(2) . . ?
C27 C26 P2 116.7(2) . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.8(3) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 119.3(3) . . ?
C28 C29 H29 120.3 . . ?
C30 C29 H29 120.3 . . ?
C29 C30 C31 120.1(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C26 C31 C30 121.3(3) . . ?
C26 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C37 C32 C33 117.1(3) . . ?
C37 C32 N2 125.4(3) . . ?
C33 C32 N2 117.5(3) . . ?
C34 C33 C32 121.7(3) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C33 C34 C35 121.1(3) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C36 C35 C34 117.2(3) . . ?
C36 C35 C38 121.1(3) . . ?
C34 C35 C38 121.7(3) . . ?
C35 C36 C37 122.2(3) . . ?
C35 C36 H36 118.9 . . ?
C37 C36 H36 118.9 . . ?
C36 C37 C32 120.7(3) . . ?
C36 C37 H37 119.6 . . ?
C32 C37 H37 119.6 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C44 C39 C40 119.3(3) . . ?
C44 C39 P3 117.6(2) . . ?
C40 C39 P3 122.8(3) . . ?
C41 C40 C39 120.5(4) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C42 C41 C40 119.7(4) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C43 120.1(4) . . ?
C41 C42 H42 120 . . ?
C43 C42 H42 120 . . ?
C42 C43 C44 119.7(4) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C39 C44 C43 120.7(3) . . ?
C39 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C46 C45 C50 118.1(3) . . ?
C46 C45 P3 121.8(2) . . ?
C50 C45 P3 119.2(2) . . ?
C45 C46 C47 120.5(3) . . ?
C45 C46 H46 119.7 . . ?
C47 C46 H46 119.7 . . ?
C48 C47 C46 120.1(3) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C49 C48 C47 120.2(4) . . ?
C49 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C48 C49 C50 120.1(4) . . ?
C48 C49 H49 120 . . ?
C50 C49 H49 120 . . ?
C49 C50 C45 120.9(3) . . ?
C49 C50 H50 119.5 . . ?
C45 C50 H50 119.5 . . ?
C52 C51 C56 117.1(2) . . ?
C52 C51 N3 120.3(3) . . ?
C56 C51 N3 122.4(3) . . ?
C51 C52 C53 121.2(3) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 H52 119.4 . . ?
C54 C53 C52 120.9(3) . . ?
C54 C53 H53 119.5 . . ?
C52 C53 H53 119.5 . . ?
C55 C54 C53 118.1(3) . . ?
C55 C54 C57 120.8(3) . . ?
C53 C54 C57 121.0(3) . . ?
C54 C55 C56 121.7(3) . . ?
C54 C55 H55 119.2 . . ?
C56 C55 H55 119.2 . . ?
C55 C56 C51 120.9(3) . . ?
C55 C56 H56 119.5 . . ?
C51 C56 H56 119.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C63 C58 C59 118.5(3) . . ?
C63 C58 P4 124.2(2) . . ?
C59 C58 P4 117.0(2) . . ?
C60 C59 C58 120.2(3) . . ?
C60 C59 H59 119.9 . . ?
C58 C59 H59 119.9 . . ?
C61 C60 C59 120.5(3) . . ?
C61 C60 H60 119.8 . . ?
C59 C60 H60 119.8 . . ?
C62 C61 C60 120.0(3) . . ?
C62 C61 H61 120 . . ?
C60 C61 H61 120 . . ?
C61 C62 C63 120.5(3) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 H62 119.7 . . ?
C62 C63 C58 120.3(3) . . ?
C62 C63 H63 119.9 . . ?
C58 C63 H63 119.9 . . ?
C69 C64 C65 118.1(3) . . ?
C69 C64 P4 122.0(2) . . ?
C65 C64 P4 119.1(2) . . ?
C66 C65 C64 120.6(3) . . ?
C66 C65 H65 119.7 . . ?
C64 C65 H65 119.7 . . ?
C67 C66 C65 120.2(3) . . ?
C67 C66 H66 119.9 . . ?
C65 C66 H66 119.9 . . ?
C68 C67 C66 119.7(3) . . ?
C68 C67 H67 120.2 . . ?
C66 C67 H67 120.2 . . ?
C67 C68 C69 120.6(3) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 H68 119.7 . . ?
C68 C69 C64 120.8(3) . . ?
C68 C69 H69 119.6 . . ?
C64 C69 H69 119.6 . . ?
C75 C70 C71 116.5(2) . . ?
C75 C70 N4 125.0(2) . . ?
C71 C70 N4 118.5(2) . . ?
C72 C71 C70 121.6(3) . . ?
C72 C71 H71 119.2 . . ?
C70 C71 H71 119.2 . . ?
C71 C72 C73 121.5(3) . . ?
C71 C72 H72 119.2 . . ?
C73 C72 H72 119.2 . . ?
C74 C73 C72 117.1(3) . . ?
C74 C73 C76 120.9(3) . . ?
C72 C73 C76 121.9(3) . . ?
C73 C74 C75 121.6(3) . . ?
C73 C74 H74 119.2 . . ?
C75 C74 H74 119.2 . . ?
C74 C75 C70 121.7(3) . . ?
C74 C75 H75 119.1 . . ?
C70 C75 H75 119.1 . . ?
C73 C76 H76A 109.4 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C78 C77 C82 118.7(2) . . ?
C78 C77 P5 117.1(2) . . ?
C82 C77 P5 124.2(2) . . ?
C79 C78 C77 121.1(3) . . ?
C79 C78 H78 119.4 . . ?
C77 C78 H78 119.4 . . ?
C78 C79 C80 119.6(3) . . ?
C78 C79 H79 120.2 . . ?
C80 C79 H79 120.2 . . ?
C81 C80 C79 119.7(3) . . ?
C81 C80 H80 120.1 . . ?
C79 C80 H80 120.1 . . ?
C80 C81 C82 120.7(3) . . ?
C80 C81 H81 119.6 . . ?
C82 C81 H81 119.6 . . ?
C81 C82 C77 120.1(3) . . ?
C81 C82 H82 120 . . ?
C77 C82 H82 120 . . ?
C84 C83 C88 118.1(3) . . ?
C84 C83 P5 123.5(2) . . ?
C88 C83 P5 118.2(2) . . ?
C83 C84 C85 120.4(3) . . ?
C83 C84 H84 119.8 . . ?
C85 C84 H84 119.8 . . ?
C86 C85 C84 119.9(3) . . ?
C86 C85 H85 120.1 . . ?
C84 C85 H85 120.1 . . ?
C87 C86 C85 121.0(3) . . ?
C87 C86 H86 119.5 . . ?
C85 C86 H86 119.5 . . ?
C86 C87 C88 119.0(3) . . ?
C86 C87 H87 120.5 . . ?
C88 C87 H87 120.5 . . ?
C87 C88 C83 121.7(3) . . ?
C87 C88 H88 119.2 . . ?
C83 C88 H88 119.2 . . ?
C90 C89 C94 117.0(3) . . ?
C90 C89 N5 119.4(2) . . ?
C94 C89 N5 123.6(3) . . ?
C91 C90 C89 121.3(3) . . ?
C91 C90 H90 119.3 . . ?
C89 C90 H90 119.3 . . ?
C90 C91 C92 121.7(3) . . ?
C90 C91 H91 119.2 . . ?
C92 C91 H91 119.2 . . ?
C91 C92 C93 116.9(3) . . ?
C91 C92 C95 122.0(3) . . ?
C93 C92 C95 121.1(3) . . ?
C94 C93 C92 122.2(3) . . ?
C94 C93 H93 118.9 . . ?
C92 C93 H93 118.9 . . ?
C93 C94 C89 120.8(3) . . ?
C93 C94 H94 119.6 . . ?
C89 C94 H94 119.6 . . ?
C92 C95 H95A 109.5 . . ?
C92 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C92 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C101 C96 C97 118.3(2) . . ?
C101 C96 P6 122.4(2) . . ?
C97 C96 P6 118.9(2) . . ?
C98 C97 C96 120.7(3) . . ?
C98 C97 H97 119.7 . . ?
C96 C97 H97 119.7 . . ?
C97 C98 C99 120.4(3) . . ?
C97 C98 H98 119.8 . . ?
C99 C98 H98 119.8 . . ?
C100 C99 C98 119.5(3) . . ?
C100 C99 H99 120.2 . . ?
C98 C99 H99 120.2 . . ?
C99 C100 C101 120.3(3) . . ?
C99 C100 H100 119.9 . . ?
C101 C100 H100 119.9 . . ?
C100 C101 C96 120.8(3) . . ?
C100 C101 H101 119.6 . . ?
C96 C101 H101 119.6 . . ?
C103 C102 C107 118.7(2) . . ?
C103 C102 P6 122.7(2) . . ?
C107 C102 P6 118.1(2) . . ?
C102 C103 C104 120.8(3) . . ?
C102 C103 H103 119.6 . . ?
C104 C103 H103 119.6 . . ?
C105 C104 C103 120.2(3) . . ?
C105 C104 H104 119.9 . . ?
C103 C104 H104 119.9 . . ?
C106 C105 C104 119.5(3) . . ?
C106 C105 H105 120.2 . . ?
C104 C105 H105 120.2 . . ?
C105 C106 C107 120.3(3) . . ?
C105 C106 H106 119.8 . . ?
C107 C106 H106 119.8 . . ?
C106 C107 C102 120.5(3) . . ?
C106 C107 H107 119.8 . . ?
C102 C107 H107 119.8 . . ?
C109 C108 C113 116.3(2) . . ?
C109 C108 N6 118.5(2) . . ?
C113 C108 N6 125.2(3) . . ?
C110 C109 C108 122.2(3) . . ?
C110 C109 H109 118.9 . . ?
C108 C109 H109 118.9 . . ?
C109 C110 C111 121.4(3) . . ?
C109 C110 H110 119.3 . . ?
C111 C110 H110 119.3 . . ?
C112 C111 C110 116.9(3) . . ?
C112 C111 C114 121.5(3) . . ?
C110 C111 C114 121.6(3) . . ?
C111 C112 C113 122.1(3) . . ?
C111 C112 H112 118.9 . . ?
C113 C112 H112 118.9 . . ?
C112 C113 C108 120.8(3) . . ?
C112 C113 H113 119.6 . . ?
C108 C113 H113 119.6 . . ?
C111 C114 H11A 109.5 . . ?
C111 C114 H11B 109.5 . . ?
H11A C114 H11B 109.5 . . ?
C111 C114 H11C 109.5 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
C115 N7 C119 116.6(19) . . ?
C115 N7 Co7 119.8(17) . . ?
C119 N7 Co7 123.1(17) . . ?
N7 C115 C116 117.7(19) . . ?
N7 C115 H115 121.1 . . ?
C116 C115 H115 121.1 . . ?
C117 C116 C115 120.8(18) . . ?
C117 C116 H116 119.6 . . ?
C115 C116 H116 119.6 . . ?
C116 C117 C118 119.7(19) . . ?
C116 C117 H117 120.2 . . ?
C118 C117 H117 120.2 . . ?
C117 C118 C119 116.4(18) . . ?
C117 C118 H118 121.8 . . ?
C119 C118 H118 121.8 . . ?
C118 C119 N7 123.8(19) . . ?
C118 C119 H119 118.1 . . ?
N7 C119 H119 118.1 . . ?
C215 N27 C219 115.6(4) . . ?
C215 N27 Co7 121.2(3) . . ?
C219 N27 Co7 121.7(3) . . ?
N27 C215 C216 123.5(4) . . ?
N27 C215 H215 118.2 . . ?
C216 C215 H215 118.2 . . ?
C217 C216 C215 117.9(5) . . ?
C217 C216 H216 121 . . ?
C215 C216 H216 121 . . ?
C218 C217 C216 121.3(6) . . ?
C218 C217 H217 119.3 . . ?
C216 C217 H217 119.3 . . ?
C219 C218 C217 115.5(5) . . ?
C219 C218 H218 122.2 . . ?
C217 C218 H218 122.2 . . ?
C218 C219 N27 126.1(4) . . ?
C218 C219 H219 117 . . ?
N27 C219 H219 117 . . ?
N8 C120 C121 123.5(3) . . ?
N8 C120 H120 118.2 . . ?
C121 C120 H120 118.2 . . ?
C122 C121 C120 120.3(4) . . ?
C122 C121 H121 119.8 . . ?
C120 C121 H121 119.8 . . ?
C123 C122 C121 117.8(4) . . ?
C123 C122 H122 121.1 . . ?
C121 C122 H122 121.1 . . ?
C122 C123 C124 120.0(4) . . ?
C122 C123 H123 120 . . ?
C124 C123 H123 120 . . ?
N8 C124 C123 123.2(3) . . ?
N8 C124 H124 118.4 . . ?
C123 C124 H124 118.4 . . ?
N9 C125 C126 122.3(3) . . ?
N9 C125 H125 118.9 . . ?
C126 C125 H125 118.9 . . ?
C127 C126 C125 120.9(3) . . ?
C127 C126 H126 119.6 . . ?
C125 C126 H126 119.6 . . ?
C126 C127 C128 118.1(3) . . ?
C126 C127 H127 121 . . ?
C128 C127 H127 121 . . ?
C127 C128 C129 120.8(3) . . ?
C127 C128 H128 119.6 . . ?
C129 C128 H128 119.6 . . ?
N9 C129 C128 121.8(3) . . ?
N9 C129 H129 119.1 . . ?
C128 C129 H129 119.1 . . ?
C13 N1 P1 119.22(19) . . ?
C13 N1 Co7 121.71(18) . . ?
P1 N1 Co7 118.86(12) . . ?
C32 N2 P2 122.1(2) . . ?
C32 N2 Co7 120.32(19) . . ?
P2 N2 Co7 117.52(12) . . ?
C51 N3 P3 121.48(18) . . ?
C51 N3 Co8 117.78(17) . . ?
P3 N3 Co8 120.06(11) . . ?
C70 N4 P4 123.29(18) . . ?
C70 N4 Co8 120.54(16) . . ?
P4 N4 Co8 115.62(12) . . ?
C89 N5 P5 121.98(16) . . ?
C89 N5 Co9 121.80(16) . . ?
P5 N5 Co9 116.20(12) . . ?
C108 N6 P6 123.38(18) . . ?
C108 N6 Co9 120.81(17) . . ?
P6 N6 Co9 115.80(11) . . ?
C124 N8 C120 115.2(3) . . ?
C124 N8 Co8 117.44(19) . . ?
C120 N8 Co8 127.4(2) . . ?
C125 N9 C129 116.0(2) . . ?
C125 N9 Co9 120.72(19) . . ?
C129 N9 Co9 122.86(19) . . ?
N1 P1 C7 104.90(11) . . ?
N1 P1 C1 108.49(12) . . ?
C7 P1 C1 107.42(12) . . ?
N1 P1 Co1 111.99(8) . . ?
C7 P1 Co1 115.41(9) . . ?
C1 P1 Co1 108.36(8) . . ?
N2 P2 C20 107.40(13) . . ?
N2 P2 C26 105.38(12) . . ?
C20 P2 C26 106.96(14) . . ?
N2 P2 Co2 112.78(9) . . ?
C20 P2 Co2 111.17(9) . . ?
C26 P2 Co2 112.75(9) . . ?
N3 P3 C45 108.17(12) . . ?
N3 P3 C39 106.05(12) . . ?
C45 P3 C39 104.03(15) . . ?
N3 P3 Co3 112.16(8) . . ?
C45 P3 Co3 111.15(9) . . ?
C39 P3 Co3 114.73(9) . . ?
N4 P4 C64 106.93(12) . . ?
N4 P4 C58 107.86(11) . . ?
C64 P4 C58 106.69(13) . . ?
N4 P4 Co4 111.84(8) . . ?
C64 P4 Co4 111.74(9) . . ?
C58 P4 Co4 111.51(9) . . ?
N5 P5 C77 106.08(12) . . ?
N5 P5 C83 107.18(12) . . ?
C77 P5 C83 103.85(13) . . ?
N5 P5 Co5 109.77(8) . . ?
C77 P5 Co5 114.73(9) . . ?
C83 P5 Co5 114.59(9) . . ?
N6 P6 C102 108.02(12) . . ?
N6 P6 C96 106.17(11) . . ?
C102 P6 C96 106.32(12) . . ?
N6 P6 Co6 112.38(8) . . ?
C102 P6 Co6 109.88(8) . . ?
C96 P6 Co6 113.72(9) . . ?
P1 Co1 Se1 95.71(2) . . ?
P1 Co1 Se8 106.14(2) . . ?
Se1 Co1 Se8 157.984(19) . . ?
P1 Co1 Se2 91.44(2) . . ?
Se1 Co1 Se2 90.472(16) . . ?
Se8 Co1 Se2 86.342(14) . . ?
P1 Co1 Se6 106.08(2) . . ?
Se1 Co1 Se6 87.444(14) . . ?
Se8 Co1 Se6 89.091(15) . . ?
Se2 Co1 Se6 162.480(19) . . ?
P1 Co1 Co5 143.63(3) . . ?
Se1 Co1 Co5 110.278(16) . . ?
Se8 Co1 Co5 51.963(12) . . ?
Se2 Co1 Co5 112.616(15) . . ?
Se6 Co1 Co5 52.475(11) . . ?
P1 Co1 Co2 124.98(3) . . ?
Se1 Co1 Co2 52.024(11) . . ?
Se8 Co1 Co2 110.565(15) . . ?
Se2 Co1 Co2 52.755(12) . . ?
Se6 Co1 Co2 113.909(16) . . ?
Co5 Co1 Co2 91.347(14) . . ?
P1 Co1 Co6 136.32(2) . . ?
Se1 Co1 Co6 51.629(12) . . ?
Se8 Co1 Co6 110.337(16) . . ?
Se2 Co1 Co6 113.785(16) . . ?
Se6 Co1 Co6 52.477(12) . . ?
Co5 Co1 Co6 58.931(12) . . ?
Co2 Co1 Co6 61.584(12) . . ?
P1 Co1 Co3 132.81(2) . . ?
Se1 Co1 Co3 111.482(16) . . ?
Se8 Co1 Co3 50.611(11) . . ?
Se2 Co1 Co3 52.295(11) . . ?
Se6 Co1 Co3 112.716(15) . . ?
Co5 Co1 Co3 60.496(12) . . ?
Co2 Co1 Co3 60.180(11) . . ?
Co6 Co1 Co3 89.672(13) . . ?
P2 Co2 Se7 102.40(2) . . ?
P2 Co2 Se1 93.08(2) . . ?
Se7 Co2 Se1 86.087(14) . . ?
P2 Co2 Se2 99.09(2) . . ?
Se7 Co2 Se2 158.31(2) . . ?
Se1 Co2 Se2 89.871(15) . . ?
P2 Co2 Se3 107.23(2) . . ?
Se7 Co2 Se3 88.394(14) . . ?
Se1 Co2 Se3 159.66(2) . . ?
Se2 Co2 Se3 88.060(14) . . ?
P2 Co2 Co1 128.06(3) . . ?
Se7 Co2 Co1 110.266(16) . . ?
Se1 Co2 Co1 51.761(11) . . ?
Se2 Co2 Co1 52.247(12) . . ?
Se3 Co2 Co1 112.809(15) . . ?
P2 Co2 Co4 141.22(3) . . ?
Se7 Co2 Co4 51.646(11) . . ?
Se1 Co2 Co4 110.522(16) . . ?
Se2 Co2 Co4 110.850(15) . . ?
Se3 Co2 Co4 52.007(11) . . ?
Co1 Co2 Co4 90.348(15) . . ?
P2 Co2 Co3 139.73(2) . . ?
Se7 Co2 Co3 109.633(16) . . ?
Se1 Co2 Co3 112.483(16) . . ?
Se2 Co2 Co3 52.776(11) . . ?
Se3 Co2 Co3 51.568(11) . . ?
Co1 Co2 Co3 61.456(12) . . ?
Co4 Co2 Co3 58.430(12) . . ?
P2 Co2 Co6 130.45(2) . . ?
Se7 Co2 Co6 50.922(12) . . ?
Se1 Co2 Co6 50.697(12) . . ?
Se2 Co2 Co6 111.353(16) . . ?
Se3 Co2 Co6 111.793(16) . . ?
Co1 Co2 Co6 59.637(12) . . ?
Co4 Co2 Co6 60.080(12) . . ?
Co3 Co2 Co6 89.304(14) . . ?
P3 Co3 Se4 91.27(2) . . ?
P3 Co3 Se8 103.20(3) . . ?
Se4 Co3 Se8 86.812(16) . . ?
P3 Co3 Se3 97.18(2) . . ?
Se4 Co3 Se3 91.964(16) . . ?
Se8 Co3 Se3 159.599(17) . . ?
P3 Co3 Se2 111.28(3) . . ?
Se4 Co3 Se2 157.240(17) . . ?
Se8 Co3 Se2 85.137(14) . . ?
Se3 Co3 Se2 88.281(15) . . ?
P3 Co3 Co4 125.86(2) . . ?
Se4 Co3 Co4 52.759(12) . . ?
Se8 Co3 Co4 111.974(16) . . ?
Se3 Co3 Co4 53.144(12) . . ?
Se2 Co3 Co4 111.488(15) . . ?
P3 Co3 Co2 140.94(3) . . ?
Se4 Co3 Co2 111.978(16) . . ?
Se8 Co3 Co2 108.810(14) . . ?
Se3 Co3 Co2 53.055(11) . . ?
Se2 Co3 Co2 51.582(11) . . ?
Co4 Co3 Co2 60.265(12) . . ?
P3 Co3 Co5 129.34(3) . . ?
Se4 Co3 Co5 50.990(11) . . ?
Se8 Co3 Co5 50.861(12) . . ?
Se3 Co3 Co5 114.071(16) . . ?
Se2 Co3 Co5 108.606(14) . . ?
Co4 Co3 Co5 61.525(12) . . ?
Co2 Co3 Co5 88.856(13) . . ?
P3 Co3 Co1 143.99(3) . . ?
Se4 Co3 Co1 108.784(15) . . ?
Se8 Co3 Co1 50.666(11) . . ?
Se3 Co3 Co1 111.208(15) . . ?
Se2 Co3 Co1 50.642(11) . . ?
Co4 Co3 Co1 89.595(13) . . ?
Co2 Co3 Co1 58.363(11) . . ?
Co5 Co3 Co1 58.127(11) . . ?
P4 Co4 Se7 104.50(2) . . ?
P4 Co4 Se5 105.52(3) . . ?
Se7 Co4 Se5 87.495(14) . . ?
P4 Co4 Se4 98.48(2) . . ?
Se7 Co4 Se4 156.933(19) . . ?
Se5 Co4 Se4 84.483(15) . . ?
P4 Co4 Se3 92.68(2) . . ?
Se7 Co4 Se3 89.336(15) . . ?
Se5 Co4 Se3 161.742(19) . . ?
Se4 Co4 Se3 91.551(15) . . ?
P4 Co4 Co3 127.60(2) . . ?
Se7 Co4 Co3 112.209(16) . . ?
Se5 Co4 Co3 111.987(16) . . ?
Se4 Co4 Co3 52.236(12) . . ?
Se3 Co4 Co3 53.137(12) . . ?
P4 Co4 Co2 132.85(3) . . ?
Se7 Co4 Co2 51.366(11) . . ?
Se5 Co4 Co2 111.845(15) . . ?
Se4 Co4 Co2 112.488(16) . . ?
Se3 Co4 Co2 53.512(11) . . ?
Co3 Co4 Co2 61.305(12) . . ?
P4 Co4 Co6 140.95(2) . . ?
Se7 Co4 Co6 51.263(11) . . ?
Se5 Co4 Co6 51.230(11) . . ?
Se4 Co4 Co6 108.094(16) . . ?
Se3 Co4 Co6 114.124(16) . . ?
Co3 Co4 Co6 91.439(14) . . ?
Co2 Co4 Co6 60.920(12) . . ?
P4 Co4 Co5 137.65(3) . . ?
Se7 Co4 Co5 108.390(14) . . ?
Se5 Co4 Co5 51.231(12) . . ?
Se4 Co4 Co5 50.594(11) . . ?
Se3 Co4 Co5 113.374(16) . . ?
Co3 Co4 Co5 60.826(12) . . ?
Co2 Co4 Co5 89.038(14) . . ?
Co6 Co4 Co5 57.587(11) . . ?
P5 Co5 Se8 103.25(2) . . ?
P5 Co5 Se4 109.04(2) . . ?
Se8 Co5 Se4 86.822(14) . . ?
P5 Co5 Se5 99.41(2) . . ?
Se8 Co5 Se5 157.28(2) . . ?
Se4 Co5 Se5 84.283(14) . . ?
P5 Co5 Se6 89.11(2) . . ?
Se8 Co5 Se6 90.090(15) . . ?
Se4 Co5 Se6 161.83(2) . . ?
Se5 Co5 Se6 91.882(14) . . ?
P5 Co5 Co6 126.21(2) . . ?
Se8 Co5 Co6 112.719(16) . . ?
Se4 Co5 Co6 111.519(16) . . ?
Se5 Co5 Co6 52.557(11) . . ?
Se6 Co5 Co6 53.640(11) . . ?
P5 Co5 Co1 129.58(2) . . ?
Se8 Co5 Co1 52.221(11) . . ?
Se4 Co5 Co1 111.840(16) . . ?
Se5 Co5 Co1 112.679(16) . . ?
Se6 Co5 Co1 53.526(11) . . ?
Co6 Co5 Co1 61.079(12) . . ?
P5 Co5 Co3 142.19(2) . . ?
Se8 Co5 Co3 51.052(12) . . ?
Se4 Co5 Co3 50.812(12) . . ?
Se5 Co5 Co3 108.228(16) . . ?
Se6 Co5 Co3 114.639(16) . . ?
Co6 Co5 Co3 91.398(14) . . ?
Co1 Co5 Co3 61.377(12) . . ?
P5 Co5 Co4 140.37(3) . . ?
Se8 Co5 Co4 108.313(16) . . ?
Se4 Co5 Co4 50.909(11) . . ?
Se5 Co5 Co4 50.646(11) . . ?
Se6 Co5 Co4 113.816(15) . . ?
Co6 Co5 Co4 60.703(12) . . ?
Co1 Co5 Co4 89.240(14) . . ?
Co3 Co5 Co4 57.649(12) . . ?
P6 Co6 Se1 108.55(2) . . ?
P6 Co6 Se5 93.37(2) . . ?
Se1 Co6 Se5 157.957(17) . . ?
P6 Co6 Se7 102.74(2) . . ?
Se1 Co6 Se7 85.709(15) . . ?
Se5 Co6 Se7 87.295(15) . . ?
P6 Co6 Se6 97.55(2) . . ?
Se1 Co6 Se6 87.580(15) . . ?
Se5 Co6 Se6 91.861(15) . . ?
Se7 Co6 Se6 159.708(18) . . ?
P6 Co6 Co5 128.10(3) . . ?
Se1 Co6 Co5 111.061(16) . . ?
Se5 Co6 Co5 53.136(12) . . ?
Se7 Co6 Co5 112.267(15) . . ?
Se6 Co6 Co5 53.036(11) . . ?
P6 Co6 Co1 139.64(2) . . ?
Se1 Co6 Co1 51.356(12) . . ?
Se5 Co6 Co1 112.175(15) . . ?
Se7 Co6 Co1 108.930(16) . . ?
Se6 Co6 Co1 52.927(12) . . ?
Co5 Co6 Co1 59.990(12) . . ?
P6 Co6 Co4 130.71(2) . . ?
Se1 Co6 Co4 109.433(15) . . ?
Se5 Co6 Co4 51.185(11) . . ?
Se7 Co6 Co4 51.048(11) . . ?
Se6 Co6 Co4 114.216(15) . . ?
Co5 Co6 Co4 61.710(12) . . ?
Co1 Co6 Co4 89.204(13) . . ?
P6 Co6 Co2 141.36(3) . . ?
Se1 Co6 Co2 50.683(11) . . ?
Se5 Co6 Co2 109.889(14) . . ?
Se7 Co6 Co2 50.439(12) . . ?
Se6 Co6 Co2 111.558(16) . . ?
Co5 Co6 Co2 90.301(13) . . ?
Co1 Co6 Co2 58.778(12) . . ?
Co4 Co6 Co2 59.000(12) . . ?
N1 Co7 N2 144.45(9) . . ?
N1 Co7 N27 99.81(14) . . ?
N2 Co7 N27 106.82(14) . . ?
N1 Co7 N7 106.5(9) . . ?
N2 Co7 N7 98.4(10) . . ?
N1 Co7 Se2 96.08(6) . . ?
N2 Co7 Se2 101.08(6) . . ?
N27 Co7 Se2 101.57(12) . . ?
N7 Co7 Se2 105.9(7) . . ?
N3 Co8 N4 143.70(10) . . ?
N3 Co8 N8 100.64(9) . . ?
N4 Co8 N8 105.66(9) . . ?
N3 Co8 Se3 98.28(6) . . ?
N4 Co8 Se3 99.36(6) . . ?
N8 Co8 Se3 103.55(6) . . ?
N6 Co9 N5 144.08(9) . . ?
N6 Co9 N9 102.69(8) . . ?
N5 Co9 N9 104.75(9) . . ?
N6 Co9 Se6 101.97(7) . . ?
N5 Co9 Se6 96.06(7) . . ?
N9 Co9 Se6 99.24(6) . . ?
Co1 Se1 Co2 76.215(14) . . ?
Co1 Se1 Co6 77.015(15) . . ?
Co2 Se1 Co6 78.620(14) . . ?
Co1 Se2 Co2 74.998(14) . . ?
Co1 Se2 Co3 77.062(14) . . ?
Co2 Se2 Co3 75.642(14) . . ?
Co1 Se2 Co7 92.122(15) . . ?
Co2 Se2 Co7 89.065(15) . . ?
Co3 Se2 Co7 163.052(17) . . ?
Co3 Se3 Co4 73.719(14) . . ?
Co3 Se3 Co2 75.377(14) . . ?
Co4 Se3 Co2 74.481(14) . . ?
Co3 Se3 Co8 90.610(15) . . ?
Co4 Se3 Co8 89.820(15) . . ?
Co2 Se3 Co8 161.254(18) . . ?
Co3 Se4 Co5 78.198(14) . . ?
Co3 Se4 Co4 75.006(14) . . ?
Co5 Se4 Co4 78.497(14) . . ?
Co4 Se5 Co6 77.585(14) . . ?
Co4 Se5 Co5 78.123(15) . . ?
Co6 Se5 Co5 74.307(14) . . ?
Co5 Se6 Co6 73.324(14) . . ?
Co5 Se6 Co1 73.999(14) . . ?
Co6 Se6 Co1 74.595(14) . . ?
Co5 Se6 Co9 89.309(14) . . ?
Co6 Se6 Co9 87.024(15) . . ?
Co1 Se6 Co9 157.954(17) . . ?
Co2 Se7 Co4 76.988(14) . . ?
Co2 Se7 Co6 78.640(15) . . ?
Co4 Se7 Co6 77.688(14) . . ?
Co5 Se8 Co3 78.087(15) . . ?
Co5 Se8 Co1 75.816(14) . . ?
Co3 Se8 Co1 78.723(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.390(4) . ?
C1 C6 1.395(4) . ?
C1 P1 1.835(3) . ?
C2 C3 1.391(4) . ?
C2 H2 0.95 . ?
C3 C4 1.391(5) . ?
C3 H3 0.95 . ?
C4 C5 1.371(4) . ?
C4 H4 0.95 . ?
C5 C6 1.392(4) . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C12 1.388(4) . ?
C7 C8 1.398(4) . ?
C7 P1 1.827(3) . ?
C8 C9 1.386(4) . ?
C8 H8 0.95 . ?
C9 C10 1.381(4) . ?
C9 H9 0.95 . ?
C10 C11 1.382(4) . ?
C10 H10 0.95 . ?
C11 C12 1.399(4) . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C18 1.393(4) . ?
C13 C14 1.395(4) . ?
C13 N1 1.427(3) . ?
C14 C15 1.390(4) . ?
C14 H14 0.95 . ?
C15 C16 1.383(4) . ?
C15 H15 0.95 . ?
C16 C17 1.380(4) . ?
C16 C19 1.524(4) . ?
C17 C18 1.385(4) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C21 1.390(5) . ?
C20 C25 1.390(4) . ?
C20 P2 1.837(3) . ?
C21 C22 1.388(5) . ?
C21 H21 0.95 . ?
C22 C23 1.371(6) . ?
C22 H22 0.95 . ?
C23 C24 1.385(6) . ?
C23 H23 0.95 . ?
C24 C25 1.386(4) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 C31 1.379(4) . ?
C26 C27 1.396(4) . ?
C26 P2 1.846(3) . ?
C27 C28 1.393(4) . ?
C27 H27 0.95 . ?
C28 C29 1.369(5) . ?
C28 H28 0.95 . ?
C29 C30 1.377(5) . ?
C29 H29 0.95 . ?
C30 C31 1.395(4) . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 C37 1.394(4) . ?
C32 C33 1.397(4) . ?
C32 N2 1.422(3) . ?
C33 C34 1.387(4) . ?
C33 H33 0.95 . ?
C34 C35 1.394(5) . ?
C34 H34 0.95 . ?
C35 C36 1.383(5) . ?
C35 C38 1.512(4) . ?
C36 C37 1.392(4) . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 C44 1.377(5) . ?
C39 C40 1.396(4) . ?
C39 P3 1.837(3) . ?
C40 C41 1.388(5) . ?
C40 H40 0.95 . ?
C41 C42 1.386(6) . ?
C41 H41 0.95 . ?
C42 C43 1.388(6) . ?
C42 H42 0.95 . ?
C43 C44 1.392(4) . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
C45 C46 1.394(4) . ?
C45 C50 1.395(4) . ?
C45 P3 1.836(3) . ?
C46 C47 1.395(5) . ?
C46 H46 0.95 . ?
C47 C48 1.376(5) . ?
C47 H47 0.95 . ?
C48 C49 1.372(5) . ?
C48 H48 0.95 . ?
C49 C50 1.390(5) . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
C51 C52 1.387(4) . ?
C51 C56 1.401(4) . ?
C51 N3 1.426(3) . ?
C52 C53 1.408(4) . ?
C52 H52 0.95 . ?
C53 C54 1.378(5) . ?
C53 H53 0.95 . ?
C54 C55 1.372(5) . ?
C54 C57 1.515(4) . ?
C55 C56 1.394(4) . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C57 H57A 0.98 . ?
C57 H57B 0.98 . ?
C57 H57C 0.98 . ?
C58 C63 1.398(4) . ?
C58 C59 1.402(4) . ?
C58 P4 1.839(3) . ?
C59 C60 1.382(4) . ?
C59 H59 0.95 . ?
C60 C61 1.381(5) . ?
C60 H60 0.95 . ?
C61 C62 1.371(5) . ?
C61 H61 0.95 . ?
C62 C63 1.388(4) . ?
C62 H62 0.95 . ?
C63 H63 0.95 . ?
C64 C69 1.401(3) . ?
C64 C65 1.404(4) . ?
C64 P4 1.837(3) . ?
C65 C66 1.392(4) . ?
C65 H65 0.95 . ?
C66 C67 1.386(4) . ?
C66 H66 0.95 . ?
C67 C68 1.379(4) . ?
C67 H67 0.95 . ?
C68 C69 1.384(4) . ?
C68 H68 0.95 . ?
C69 H69 0.95 . ?
C70 C75 1.388(4) . ?
C70 C71 1.400(3) . ?
C70 N4 1.407(3) . ?
C71 C72 1.383(4) . ?
C71 H71 0.95 . ?
C72 C73 1.389(5) . ?
C72 H72 0.95 . ?
C73 C74 1.384(4) . ?
C73 C76 1.520(4) . ?
C74 C75 1.386(4) . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 H76A 0.98 . ?
C76 H76B 0.98 . ?
C76 H76C 0.98 . ?
C77 C78 1.393(4) . ?
C77 C82 1.395(4) . ?
C77 P5 1.824(3) . ?
C78 C79 1.383(4) . ?
C78 H78 0.95 . ?
C79 C80 1.397(4) . ?
C79 H79 0.95 . ?
C80 C81 1.374(5) . ?
C80 H80 0.95 . ?
C81 C82 1.391(4) . ?
C81 H81 0.95 . ?
C82 H82 0.95 . ?
C83 C84 1.390(4) . ?
C83 C88 1.396(4) . ?
C83 P5 1.843(3) . ?
C84 C85 1.400(4) . ?
C84 H84 0.95 . ?
C85 C86 1.377(5) . ?
C85 H85 0.95 . ?
C86 C87 1.374(5) . ?
C86 H86 0.95 . ?
C87 C88 1.390(4) . ?
C87 H87 0.95 . ?
C88 H88 0.95 . ?
C89 C90 1.399(4) . ?
C89 C94 1.400(4) . ?
C89 N5 1.415(3) . ?
C90 C91 1.385(4) . ?
C90 H90 0.95 . ?
C91 C92 1.388(4) . ?
C91 H91 0.95 . ?
C92 C93 1.389(4) . ?
C92 C95 1.507(4) . ?
C93 C94 1.385(4) . ?
C93 H93 0.95 . ?
C94 H94 0.95 . ?
C95 H95A 0.98 . ?
C95 H95B 0.98 . ?
C95 H95C 0.98 . ?
C96 C101 1.396(4) . ?
C96 C97 1.396(4) . ?
C96 P6 1.842(2) . ?
C97 C98 1.388(4) . ?
C97 H97 0.95 . ?
C98 C99 1.388(4) . ?
C98 H98 0.95 . ?
C99 C100 1.381(4) . ?
C99 H99 0.95 . ?
C100 C101 1.393(4) . ?
C100 H100 0.95 . ?
C101 H101 0.95 . ?
C102 C103 1.386(4) . ?
C102 C107 1.395(4) . ?
C102 P6 1.837(3) . ?
C103 C104 1.388(4) . ?
C103 H103 0.95 . ?
C104 C105 1.386(4) . ?
C104 H104 0.95 . ?
C105 C106 1.382(4) . ?
C105 H105 0.95 . ?
C106 C107 1.388(4) . ?
C106 H106 0.95 . ?
C107 H107 0.95 . ?
C108 C109 1.396(4) . ?
C108 C113 1.397(4) . ?
C108 N6 1.416(3) . ?
C109 C110 1.379(4) . ?
C109 H109 0.95 . ?
C110 C111 1.390(4) . ?
C110 H110 0.95 . ?
C111 C112 1.381(4) . ?
C111 C114 1.506(4) . ?
C112 C113 1.396(4) . ?
C112 H112 0.95 . ?
C113 H113 0.95 . ?
C114 H11A 0.98 . ?
C114 H11B 0.98 . ?
C114 H11C 0.98 . ?
N7 C115 1.319(15) . ?
N7 C119 1.379(15) . ?
N7 Co7 2.14(2) . ?
C115 C116 1.409(15) . ?
C115 H115 0.95 . ?
C116 C117 1.365(16) . ?
C116 H116 0.95 . ?
C117 C118 1.367(16) . ?
C117 H117 0.95 . ?
C118 C119 1.368(15) . ?
C118 H118 0.95 . ?
C119 H119 0.95 . ?
N27 C215 1.299(5) . ?
N27 C219 1.381(5) . ?
N27 Co7 2.087(4) . ?
C215 C216 1.391(6) . ?
C215 H215 0.95 . ?
C216 C217 1.374(7) . ?
C216 H216 0.95 . ?
C217 C218 1.370(7) . ?
C217 H217 0.95 . ?
C218 C219 1.350(6) . ?
C218 H218 0.95 . ?
C219 H219 0.95 . ?
C120 N8 1.352(4) . ?
C120 C121 1.376(5) . ?
C120 H120 0.95 . ?
C121 C122 1.358(5) . ?
C121 H121 0.95 . ?
C122 C123 1.354(5) . ?
C122 H122 0.95 . ?
C123 C124 1.396(5) . ?
C123 H123 0.95 . ?
C124 N8 1.344(4) . ?
C124 H124 0.95 . ?
C125 N9 1.348(4) . ?
C125 C126 1.382(4) . ?
C125 H125 0.95 . ?
C126 C127 1.338(5) . ?
C126 H126 0.95 . ?
C127 C128 1.350(5) . ?
C127 H127 0.95 . ?
C128 C129 1.381(4) . ?
C128 H128 0.95 . ?
C129 N9 1.363(4) . ?
C129 H129 0.95 . ?
N1 P1 1.673(2) . ?
N1 Co7 1.941(2) . ?
N2 P2 1.672(2) . ?
N2 Co7 1.961(2) . ?
N3 P3 1.671(2) . ?
N3 Co8 1.940(2) . ?
N4 P4 1.671(2) . ?
N4 Co8 1.967(2) . ?
N5 P5 1.673(2) . ?
N5 Co9 1.964(2) . ?
N6 P6 1.669(2) . ?
N6 Co9 1.960(2) . ?
N8 Co8 2.104(2) . ?
N9 Co9 2.101(2) . ?
P1 Co1 2.1470(8) . ?
P2 Co2 2.1386(8) . ?
P3 Co3 2.1452(7) . ?
P4 Co4 2.1441(8) . ?
P5 Co5 2.1444(8) . ?
P6 Co6 2.1463(7) . ?
Co1 Se1 2.3192(4) . ?
Co1 Se8 2.3336(4) . ?
Co1 Se2 2.3474(4) . ?
Co1 Se6 2.3946(4) . ?
Co1 Co5 2.8625(5) . ?
Co1 Co2 2.8677(5) . ?
Co1 Co6 2.8934(5) . ?
Co1 Co3 2.9588(4) . ?
Co2 Se7 2.3192(4) . ?
Co2 Se1 2.3275(4) . ?
Co2 Se2 2.3634(4) . ?
Co2 Se3 2.4137(4) . ?
Co2 Co4 2.8927(5) . ?
Co2 Co3 2.9223(5) . ?
Co2 Co6 2.9494(5) . ?
Co3 Se4 2.3229(5) . ?
Co3 Se8 2.3318(4) . ?
Co3 Se3 2.3658(4) . ?
Co3 Se2 2.4019(4) . ?
Co3 Co4 2.8384(5) . ?
Co3 Co5 2.9337(5) . ?
Co4 Se7 2.3282(4) . ?
Co4 Se5 2.3336(4) . ?
Co4 Se4 2.3392(4) . ?
Co4 Se3 2.3660(4) . ?
Co4 Co6 2.9250(4) . ?
Co4 Co5 2.9534(5) . ?
Co5 Se8 2.3255(4) . ?
Co5 Se4 2.3288(4) . ?
Co5 Se5 2.3531(4) . ?
Co5 Se6 2.3617(4) . ?
Co5 Co6 2.8315(5) . ?
Co6 Se1 2.3280(4) . ?
Co6 Se5 2.3351(4) . ?
Co6 Se7 2.3353(4) . ?
Co6 Se6 2.3803(4) . ?
Co7 Se2 2.5341(4) . ?
Co8 Se3 2.5244(4) . ?
Co9 Se6 2.5730(5) . ?
