#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:32:53 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260793 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705273.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_7705273
loop_
_publ_author_name
'Kephart, Jonathan A.'
'Boggiano, Andrew C.'
'Kaminsky, Werner'
'Velian, Alexandra'
_publ_section_title
;
 Inorganic clusters as metalloligands: ligand effects on the synthesis and
 properties of ternary nanopropeller clusters.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16464
_journal_page_last               16473
_journal_paper_doi               10.1039/d0dt02416c
_journal_volume                  49
_journal_year                    2020
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C90 H102.68 Co6 N6 P6 Se8 Zn2.66'
_chemical_formula_sum            'C90 H102.68 Co6 N6 P6 Se8 Zn2.66'
_chemical_formula_weight         2613.58
_chemical_name_systematic        Zn3Co6Se8(Ph2PNiPr)6
_space_group_IT_number           7
_space_group_name_Hall           'P -2yac'
_space_group_name_H-M_alt        'P 1 n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      7
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   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             2018-07-12T11:13:41-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2020-07-06 deposited with the CCDC.	2020-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.286(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.8172(15)
_cell_length_b                   22.3972(16)
_cell_length_c                   25.035(2)
_cell_measurement_reflns_used    9529
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.19
_cell_measurement_wavelength     0.71073
_cell_volume                     10542.7(14)
_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    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_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      0.044581
_diffrn_orient_matrix_UB_12      -0.003312
_diffrn_orient_matrix_UB_13      0.022916
_diffrn_orient_matrix_UB_21      0.017812
_diffrn_orient_matrix_UB_22      -0.031783
_diffrn_orient_matrix_UB_23      -0.024125
_diffrn_orient_matrix_UB_31      0.022889
_diffrn_orient_matrix_UB_32      0.031183
_diffrn_orient_matrix_UB_33      -0.022155
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0083
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            51744
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.328
_diffrn_reflns_theta_min         1.329
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.409
_exptl_absorpt_correction_T_max  0.733
_exptl_absorpt_correction_T_min  0.623
_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    1.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             5154
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.62
_refine_diff_density_rms         0.11
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.437(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     2168
_refine_ls_number_reflns         51716
_refine_ls_number_restraints     163
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0227P)²+11.2355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0786
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                39503
_reflns_number_total             51716
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02416c2.cif
_cod_data_source_block           shelx_CCDC5
_cod_depositor_comments
'Adding full bibliography for 7705267--7705273.cif.'
_cod_original_cell_volume        10542.8(14)
_cod_original_sg_symbol_H-M      'P n'
_cod_database_code               7705273
_shelx_estimated_absorpt_t_min   0.558
_shelx_estimated_absorpt_t_max   0.667
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, 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 0.0872(5) 0.7783(4) 1.0883(4) 0.030(2) Uani 1 1 d . . . . .
H1 H 0.1321 0.7645 1.0721 0.036 Uiso 1 1 calc R U . . .
C2 C 0.0330(6) 0.7265(4) 1.0850(4) 0.032(2) Uani 1 1 d . . . . .
H2A H -0.0113 0.7391 1.1009 0.048 Uiso 1 1 calc R U . . .
H2B H 0.0525 0.6919 1.1046 0.048 Uiso 1 1 calc R U . . .
H2C H 0.0234 0.7156 1.0475 0.048 Uiso 1 1 calc R U . . .
C3 C 0.1047(6) 0.7948(5) 1.1478(4) 0.040(3) Uani 1 1 d . . . . .
H3A H 0.1382 0.8283 1.1495 0.06 Uiso 1 1 calc R U . . .
H3B H 0.126 0.7602 1.1664 0.06 Uiso 1 1 calc R U . . .
H3C H 0.0608 0.8062 1.165 0.06 Uiso 1 1 calc R U . . .
C4 C 0.0873(5) 0.7724(4) 0.9632(3) 0.030(2) Uani 1 1 d . . . . .
C5 C 0.0257(5) 0.7527(3) 0.9385(4) 0.031(2) Uani 1 1 d . . . . .
H5 H -0.0134 0.7793 0.9341 0.037 Uiso 1 1 calc R U . . .
C6 C 0.0191(6) 0.6942(4) 0.9197(3) 0.042(2) Uani 1 1 d . . . . .
H6 H -0.0236 0.6808 0.902 0.051 Uiso 1 1 calc R U . . .
C7 C 0.0781(6) 0.6558(4) 0.9278(4) 0.036(3) Uani 1 1 d . U . . .
H7 H 0.0739 0.6152 0.917 0.043 Uiso 1 1 calc R U . . .
C8 C 0.1392(6) 0.6747(4) 0.9500(4) 0.052(3) Uani 1 1 d . . . . .
H8 H 0.1787 0.6482 0.9527 0.063 Uiso 1 1 calc R U . . .
C9 C 0.1463(5) 0.7325(4) 0.9694(3) 0.036(2) Uani 1 1 d . . . . .
H9 H 0.1896 0.7454 0.9865 0.043 Uiso 1 1 calc R U . . .
C10 C 0.1827(5) 0.8618(4) 1.0050(4) 0.036(2) Uani 1 1 d . . . . .
C11 C 0.2136(5) 0.8770(4) 1.0556(4) 0.041(2) Uani 1 1 d . . . . .
H11 H 0.1849 0.8759 1.0859 0.049 Uiso 1 1 calc R U . . .
C12 C 0.2848(5) 0.8935(5) 1.0624(5) 0.066(3) Uani 1 1 d . . . . .
H12 H 0.3042 0.9028 1.097 0.08 Uiso 1 1 calc R U . . .
C13 C 0.3273(6) 0.8964(6) 1.0184(6) 0.083(4) Uani 1 1 d . . . . .
H13 H 0.3758 0.9079 1.0227 0.099 Uiso 1 1 calc R U . . .
C14 C 0.2985(5) 0.8822(6) 0.9677(5) 0.076(4) Uani 1 1 d . . . . .
H14 H 0.3273 0.8843 0.9374 0.092 Uiso 1 1 calc R U . . .
C15 C 0.2262(5) 0.8647(4) 0.9614(4) 0.052(3) Uani 1 1 d . . . . .
H15 H 0.2072 0.8549 0.9268 0.062 Uiso 1 1 calc R U . . .
C16 C 0.2036(5) 1.0578(4) 0.7634(4) 0.021(2) Uani 1 1 d . . . . .
H16 H 0.1942 1.0311 0.7319 0.025 Uiso 1 1 calc R U . . .
C17 C 0.2072(5) 1.1232(4) 0.7426(4) 0.029(2) Uani 1 1 d . . . . .
H17A H 0.1652 1.1316 0.7195 0.043 Uiso 1 1 calc R U . . .
H17B H 0.2502 1.1283 0.7221 0.043 Uiso 1 1 calc R U . . .
H17C H 0.2087 1.1508 0.773 0.043 Uiso 1 1 calc R U . . .
C18 C 0.2728(5) 1.0375(4) 0.7915(4) 0.033(3) Uani 1 1 d . . . . .
H18A H 0.2845 1.0643 0.8216 0.049 Uiso 1 1 calc R U . . .
H18B H 0.3112 1.0385 0.7663 0.049 Uiso 1 1 calc R U . . .
H18C H 0.2672 0.9967 0.8049 0.049 Uiso 1 1 calc R U . . .
C19 C 0.1363(5) 0.9309(4) 0.7743(4) 0.0195(19) Uani 1 1 d . . . . .
C20 C 0.1693(5) 0.8965(4) 0.8152(4) 0.029(2) Uani 1 1 d . . . . .
H20 H 0.1584 0.9038 0.8513 0.035 Uiso 1 1 calc R U . . .
C21 C 0.2181(5) 0.8516(4) 0.8035(4) 0.030(2) Uani 1 1 d . . . . .
H21 H 0.2408 0.8294 0.8316 0.036 Uiso 1 1 calc R U . . .
C22 C 0.2333(5) 0.8397(4) 0.7511(4) 0.031(2) Uani 1 1 d . . . . .
H22 H 0.2667 0.8095 0.743 0.037 Uiso 1 1 calc R U . . .
C23 C 0.1993(5) 0.8724(4) 0.7103(4) 0.034(3) Uani 1 1 d . . . . .
H23 H 0.2082 0.863 0.6742 0.041 Uiso 1 1 calc R U . . .
C24 C 0.1531(5) 0.9182(4) 0.7212(4) 0.029(2) Uani 1 1 d . . . . .
H24 H 0.1324 0.9412 0.6928 0.035 Uiso 1 1 calc R U . . .
C25 C 0.0293(5) 1.0107(4) 0.7328(4) 0.021(2) Uani 1 1 d . . . . .
C26 C 0.0206(5) 1.0689(4) 0.7130(4) 0.029(2) Uani 1 1 d . . . . .
H26 H 0.0471 1.1007 0.7291 0.034 Uiso 1 1 calc R U . . .
C27 C -0.0261(6) 1.0803(5) 0.6704(5) 0.041(3) Uani 1 1 d . . . . .
H27 H -0.0316 1.1199 0.6572 0.05 Uiso 1 1 calc R U . . .
C28 C -0.0652(6) 1.0341(5) 0.6467(5) 0.044(3) Uani 1 1 d . . . . .
H28 H -0.0975 1.0421 0.6174 0.053 Uiso 1 1 calc R U . . .
C29 C -0.0572(6) 0.9772(4) 0.6654(4) 0.035(3) Uani 1 1 d . . . . .
H29 H -0.0839 0.9457 0.649 0.042 Uiso 1 1 calc R U . . .
C30 C -0.0104(5) 0.9649(4) 0.7085(4) 0.028(2) Uani 1 1 d . . . . .
H30 H -0.0054 0.9252 0.7213 0.033 Uiso 1 1 calc R U . . .
C31 C -0.3146(4) 0.8879(4) 0.8022(4) 0.0387(19) Uani 1 1 d . U . . .
H31 H -0.3065 0.8442 0.7972 0.046 Uiso 1 1 calc R U . . .
C32 C -0.3311(6) 0.9159(6) 0.7468(4) 0.074(3) Uani 1 1 d . U . . .
H32A H -0.3357 0.9592 0.7505 0.111 Uiso 1 1 calc R U . . .
H32B H -0.3758 0.8993 0.7317 0.111 Uiso 1 1 calc R U . . .
H32C H -0.2924 0.9068 0.7231 0.111 Uiso 1 1 calc R U . . .
C33 C -0.3773(5) 0.8958(5) 0.8389(5) 0.060(3) Uani 1 1 d . U . . .
H33A H -0.3697 0.8709 0.8708 0.09 Uiso 1 1 calc R U . . .
H33B H -0.4214 0.8836 0.8198 0.09 Uiso 1 1 calc R U . . .
H33C H -0.3808 0.9378 0.8494 0.09 Uiso 1 1 calc R U . . .
C34 C -0.2374(5) 0.8169(4) 0.8950(4) 0.021(2) Uani 1 1 d . . . . .
C35 C -0.2568(5) 0.7636(4) 0.8742(4) 0.025(2) Uani 1 1 d . . . . .
H35 H -0.2392 0.7519 0.8407 0.03 Uiso 1 1 calc R U . . .
C36 C -0.3031(5) 0.7242(4) 0.9012(4) 0.034(3) Uani 1 1 d . . . . .
H36 H -0.3165 0.6866 0.8862 0.041 Uiso 1 1 calc R U . . .
C37 C -0.3279(5) 0.7427(4) 0.9500(4) 0.035(2) Uani 1 1 d . . . . .
H37 H -0.36 0.7181 0.9684 0.043 Uiso 1 1 calc R U . . .
C38 C -0.3057(5) 0.7977(4) 0.9723(5) 0.039(3) Uani 1 1 d . . . . .
H38 H -0.3213 0.8096 1.0063 0.047 Uiso 1 1 calc R U . . .
C39 C -0.2615(5) 0.8338(4) 0.9447(4) 0.025(2) Uani 1 1 d . . . . .
H39 H -0.247 0.8711 0.9596 0.03 Uiso 1 1 calc R U . . .
C40 C -0.1460(4) 0.8263(3) 0.8046(3) 0.0191(18) Uani 1 1 d . . . . .
C41 C -0.1037(4) 0.7768(3) 0.8199(3) 0.0230(17) Uani 1 1 d . . . . .
H41 H -0.1021 0.7638 0.8561 0.028 Uiso 1 1 calc R U . . .
C42 C -0.0644(4) 0.7470(3) 0.7824(3) 0.0308(19) Uani 1 1 d . . . . .
H42 H -0.0352 0.7141 0.793 0.037 Uiso 1 1 calc R U . . .
C43 C -0.0677(5) 0.7651(4) 0.7294(4) 0.035(2) Uani 1 1 d . . . . .
H43 H -0.0417 0.7443 0.7035 0.043 Uiso 1 1 calc R U . . .
C44 C -0.1093(5) 0.8140(4) 0.7146(4) 0.038(2) Uani 1 1 d . . . . .
H44 H -0.1119 0.8266 0.6783 0.046 Uiso 1 1 calc R U . . .
C45 C -0.1477(4) 0.8448(3) 0.7528(3) 0.0264(18) Uani 1 1 d . . . . .
H45 H -0.1751 0.8788 0.7424 0.032 Uiso 1 1 calc R U . . .
C46 C -0.0958(5) 0.9041(4) 1.1730(4) 0.024(2) Uani 1 1 d . . . . .
H46 H -0.1389 0.9259 1.1846 0.028 Uiso 1 1 calc R U . . .
C47 C -0.0333(5) 0.9252(4) 1.2068(4) 0.027(2) Uani 1 1 d . . . . .
H47A H 0.0089 0.902 1.1981 0.04 Uiso 1 1 calc R U . . .
H47B H -0.043 0.9197 1.2446 0.04 Uiso 1 1 calc R U . . .
H47C H -0.0248 0.9675 1.1997 0.04 Uiso 1 1 calc R U . . .
C48 C -0.1079(5) 0.8376(4) 1.1816(4) 0.030(2) Uani 1 1 d . . . . .
H48A H -0.1527 0.8256 1.1634 0.045 Uiso 1 1 calc R U . . .
H48B H -0.1103 0.8294 1.22 0.045 Uiso 1 1 calc R U . . .
H48C H -0.0685 0.8149 1.167 0.045 Uiso 1 1 calc R U . . .
C49 C -0.1030(5) 1.0390(4) 1.1316(4) 0.0173(19) Uani 1 1 d . . . . .
C50 C -0.0402(5) 1.0734(4) 1.1276(4) 0.022(2) Uani 1 1 d . . . . .
H50 H -0.0128 1.0702 1.0967 0.027 Uiso 1 1 calc R U . . .
C51 C -0.0189(5) 1.1112(4) 1.1680(4) 0.029(2) Uani 1 1 d . . . . .
H51 H 0.0233 1.134 1.1648 0.034 Uiso 1 1 calc R U . . .
C52 C -0.0571(5) 1.1168(4) 1.2129(4) 0.028(2) Uani 1 1 d . . . . .
H52 H -0.0405 1.1421 1.2412 0.033 Uiso 1 1 calc R U . . .
C53 C -0.1201(5) 1.0854(4) 1.2171(4) 0.030(2) Uani 1 1 d . . . . .
H53 H -0.1477 1.0902 1.2478 0.036 Uiso 1 1 calc R U . . .
C54 C -0.1428(5) 1.0470(4) 1.1767(4) 0.023(2) Uani 1 1 d . . . . .
H54 H -0.1861 1.0257 1.1797 0.027 Uiso 1 1 calc R U . . .
C55 C -0.2186(4) 0.9710(4) 1.0884(3) 0.0143(18) Uani 1 1 d . . . . .
C56 C -0.2518(5) 0.9161(4) 1.0951(4) 0.028(2) Uani 1 1 d . . . . .
H56 H -0.224 0.8807 1.0979 0.034 Uiso 1 1 calc R U . . .
C57 C -0.3251(6) 0.9129(5) 1.0976(4) 0.038(3) Uani 1 1 d . . . . .
H57 H -0.3477 0.8756 1.1028 0.045 Uiso 1 1 calc R U . . .
C58 C -0.3656(5) 0.9650(5) 1.0924(4) 0.040(3) Uani 1 1 d . U . . .
H58 H -0.4158 0.9632 1.0946 0.048 Uiso 1 1 calc R U . . .
C59 C -0.3334(5) 1.0180(5) 1.0842(4) 0.033(3) Uani 1 1 d . . . . .
H59 H -0.3616 1.0529 1.0798 0.04 Uiso 1 1 calc R U . . .
C60 C -0.2614(5) 1.0224(4) 1.0820(4) 0.025(2) Uani 1 1 d . . . . .
H60 H -0.24 1.0601 1.0763 0.03 Uiso 1 1 calc R U . . .
C61 C 0.2257(5) 1.1745(4) 0.9344(4) 0.031(2) Uani 1 1 d . . . . .
H61 H 0.2201 1.2014 0.9659 0.038 Uiso 1 1 calc R U . . .
C62 C 0.2919(5) 1.1362(4) 0.9437(4) 0.044(3) Uani 1 1 d . . . . .
H62A H 0.2866 1.1115 0.9756 0.066 Uiso 1 1 calc R U . . .
H62B H 0.3337 1.162 0.9488 0.066 Uiso 1 1 calc R U . . .
H62C H 0.2981 1.1103 0.9126 0.066 Uiso 1 1 calc R U . . .
C63 C 0.2329(5) 1.2124(4) 0.8843(4) 0.043(3) Uani 1 1 d . . . . .
H63A H 0.2359 1.1863 0.8531 0.064 Uiso 1 1 calc R U . . .
H63B H 0.2762 1.2367 0.888 0.064 Uiso 1 1 calc R U . . .
H63C H 0.1914 1.2386 0.8797 0.064 Uiso 1 1 calc R U . . .
C64 C 0.1673(4) 1.1148(4) 1.0381(3) 0.0258(18) Uani 1 1 d . . . . .
C65 C 0.1951(5) 1.0606(4) 1.0499(4) 0.033(2) Uani 1 1 d . . . . .
H65 H 0.1804 1.0274 1.0286 0.04 Uiso 1 1 calc R U . . .
C66 C 0.2439(5) 1.0515(4) 1.0917(4) 0.041(2) Uani 1 1 d . . . . .
H66 H 0.2617 1.0126 1.0993 0.049 Uiso 1 1 calc R U . . .
C67 C 0.2665(5) 1.1000(4) 1.1224(4) 0.044(2) Uani 1 1 d . . . . .
H67 H 0.2995 1.0942 1.1517 0.053 Uiso 1 1 calc R U . . .
C68 C 0.2419(4) 1.1552(4) 1.1109(4) 0.042(2) Uani 1 1 d . . . . .
H68 H 0.2587 1.1883 1.1316 0.05 Uiso 1 1 calc R U . . .
C69 C 0.1919(4) 1.1645(4) 1.0689(3) 0.0324(19) Uani 1 1 d . . . . .
H69 H 0.1745 1.2035 1.0611 0.039 Uiso 1 1 calc R U . . .
C70 C 0.0662(4) 1.1980(3) 0.9898(3) 0.0208(18) Uani 1 1 d . U . . .
C71 C 0.0595(4) 1.2387(3) 0.9488(3) 0.0276(18) Uani 1 1 d . . . . .
H71 H 0.0782 1.2293 0.9151 0.033 Uiso 1 1 calc R U . . .
C72 C 0.0263(5) 1.2931(3) 0.9556(4) 0.035(2) Uani 1 1 d . . . . .
H72 H 0.0215 1.3204 0.9267 0.042 Uiso 1 1 calc R U . . .
C73 C -0.0001(4) 1.3075(3) 1.0049(3) 0.0302(19) Uani 1 1 d . . . . .
H73 H -0.0208 1.3456 1.0103 0.036 Uiso 1 1 calc R U . . .
C74 C 0.0035(4) 1.2662(3) 1.0466(3) 0.0284(19) Uani 1 1 d . . . . .
H74 H -0.0161 1.2756 1.0799 0.034 Uiso 1 1 calc R U . . .
C75 C 0.0364(4) 1.2107(3) 1.0392(3) 0.0265(18) Uani 1 1 d . . . . .
H75 H 0.0385 1.182 1.0672 0.032 Uiso 1 1 calc R U . . .
C76 C -0.3130(6) 1.1125(4) 0.8150(5) 0.044(3) Uani 1 1 d . . . . .
H76 H -0.3025 1.1562 0.8171 0.053 Uiso 1 1 calc R U . . .
C77 C -0.3771(6) 1.1010(6) 0.8462(6) 0.069(4) Uani 1 1 d . U . . .
H77A H -0.3917 1.0593 0.8416 0.104 Uiso 1 1 calc R U . . .
H77B H -0.4158 1.1274 0.8335 0.104 Uiso 1 1 calc R U . . .
H77C H -0.3661 1.1089 0.8841 0.104 Uiso 1 1 calc R U . . .
C78 C -0.3263(7) 1.0961(6) 0.7545(5) 0.077(4) Uani 1 1 d . U . . .
H78A H -0.2828 1.103 0.7353 0.115 Uiso 1 1 calc R U . . .
H78B H -0.3647 1.121 0.7391 0.115 Uiso 1 1 calc R U . . .
H78C H -0.3399 1.0539 0.7514 0.115 Uiso 1 1 calc R U . . .
C79 C -0.2370(5) 1.1599(4) 0.9213(4) 0.022(2) Uani 1 1 d . . . . .
C80 C -0.2604(5) 1.1332(4) 0.9685(4) 0.025(2) Uani 1 1 d . . . . .
H80 H -0.2435 1.0946 0.9783 0.03 Uiso 1 1 calc R U . . .
C81 C -0.3066(5) 1.1617(4) 1.0004(4) 0.031(2) Uani 1 1 d . . . . .
H81 H -0.3224 1.1422 1.0315 0.037 Uiso 1 1 calc R U . . .
C82 C -0.3308(5) 1.2183(4) 0.9881(4) 0.029(2) Uani 1 1 d . . . . .
H82 H -0.3638 1.2375 1.0101 0.035 Uiso 1 1 calc R U . . .
C83 C -0.3061(5) 1.2469(4) 0.9428(4) 0.034(3) Uani 1 1 d . . . . .
H83 H -0.3205 1.2866 0.9349 0.04 Uiso 1 1 calc R U . . .
C84 C -0.2609(5) 1.2177(4) 0.9095(4) 0.025(2) Uani 1 1 d . . . . .
H84 H -0.2458 1.2371 0.8782 0.031 Uiso 1 1 calc R U . . .
C85 C -0.1468(5) 1.1719(3) 0.8315(4) 0.0265(17) Uani 1 1 d . U . . .
C86 C -0.1073(5) 1.2191(4) 0.8551(4) 0.0321(18) Uani 1 1 d . U . . .
H86 H -0.1034 1.2228 0.8929 0.038 Uiso 1 1 calc R U . . .
C87 C -0.0743(5) 1.2598(4) 0.8232(4) 0.0404(19) Uani 1 1 d . U . . .
H87 H -0.0495 1.2926 0.8392 0.048 Uiso 1 1 calc R U . . .
C88 C -0.0767(5) 1.2538(4) 0.7685(4) 0.046(2) Uani 1 1 d . U . . .
H88 H -0.0531 1.2819 0.7469 0.055 Uiso 1 1 calc R U . . .
C89 C -0.1141(5) 1.2063(4) 0.7450(4) 0.044(2) Uani 1 1 d . U . . .
H89 H -0.1162 1.2021 0.7072 0.052 Uiso 1 1 calc R U . . .
C90 C -0.1486(5) 1.1649(4) 0.7766(4) 0.0349(19) Uani 1 1 d . U . . .
H90 H -0.1732 1.1321 0.7605 0.042 Uiso 1 1 calc R U . . .
C101 C -0.7069(5) 1.6651(4) 1.0674(4) 0.0246(16) Uani 1 1 d . U . . .
H101 H -0.7146 1.6756 1.0288 0.029 Uiso 1 1 calc R U . . .
C102 C -0.6855(5) 1.7211(4) 1.0965(5) 0.052(3) Uani 1 1 d . U . . .
H10A H -0.6801 1.7127 1.1349 0.078 Uiso 1 1 calc R U . . .
H10B H -0.7222 1.7516 1.0904 0.078 Uiso 1 1 calc R U . . .
H10C H -0.6402 1.7355 1.0834 0.078 Uiso 1 1 calc R U . . .
C103 C -0.7755(5) 1.6404(4) 1.0864(4) 0.039(2) Uani 1 1 d . U . . .
H10D H -0.7832 1.6004 1.0714 0.059 Uiso 1 1 calc R U . . .
H10E H -0.8148 1.6666 1.0746 0.059 Uiso 1 1 calc R U . . .
H10F H -0.7732 1.6381 1.1255 0.059 Uiso 1 1 calc R U . . .
C104 C -0.6516(5) 1.5749(5) 0.9643(4) 0.042(3) Uani 1 1 d . . . . .
C105 C -0.7121(5) 1.5430(4) 0.9736(4) 0.041(2) Uani 1 1 d . . . . .
H105 H -0.7299 1.5414 1.0086 0.05 Uiso 1 1 calc R U . . .
C106 C -0.7468(6) 1.5134(5) 0.9326(4) 0.061(3) Uani 1 1 d . . . . .
H106 H -0.7887 1.4918 0.9401 0.073 Uiso 1 1 calc R U . . .
C107 C -0.7250(6) 1.5132(5) 0.8824(4) 0.060(3) Uani 1 1 d . . . . .
H107 H -0.7504 1.4919 0.855 0.072 Uiso 1 1 calc R U . . .
C108 C -0.6650(6) 1.5446(5) 0.8719(4) 0.060(3) Uani 1 1 d . . . . .
H108 H -0.6486 1.5451 0.8365 0.072 Uiso 1 1 calc R U . . .
C109 C -0.6273(5) 1.5758(5) 0.9119(4) 0.049(3) Uani 1 1 d . . . . .
H109 H -0.5856 1.5975 0.9039 0.059 Uiso 1 1 calc R U . . .
C110 C -0.5688(6) 1.6800(4) 0.9962(5) 0.053(2) Uani 1 1 d . U . . .
C111 C -0.5163(6) 1.7090(5) 1.0215(6) 0.064(3) Uani 1 1 d . U . . .
H111 H -0.4897 1.6887 1.0489 0.076 Uiso 1 1 calc R U . . .
C112 C -0.4971(6) 1.7700(5) 1.0097(7) 0.089(4) Uani 1 1 d . U . . .
H112 H -0.46 1.7902 1.0292 0.107 Uiso 1 1 calc R U . . .
C113 C -0.5350(8) 1.7967(5) 0.9693(6) 0.091(4) Uani 1 1 d . U . . .
H113 H -0.5221 1.8359 0.9592 0.11 Uiso 1 1 calc R U . . .
C114 C -0.5941(9) 1.7683(5) 0.9411(5) 0.097(4) Uani 1 1 d . U . . .
H114 H -0.621 1.7889 0.914 0.116 Uiso 1 1 calc R U . . .
C115 C -0.6103(6) 1.7098(5) 0.9547(5) 0.072(3) Uani 1 1 d . U . . .
H115 H -0.6487 1.6896 0.9366 0.086 Uiso 1 1 calc R U . . .
C116 C -0.3834(5) 1.3975(4) 0.8327(3) 0.021(2) Uani 1 1 d . . . . .
H116 H -0.3412 1.4201 0.8204 0.025 Uiso 1 1 calc R U . . .
C117 C -0.4497(5) 1.4200(5) 0.8007(4) 0.037(3) Uani 1 1 d . . . . .
H11A H -0.4923 1.4015 0.8147 0.055 Uiso 1 1 d R U . . .
H11B H -0.446 1.4093 0.763 0.055 Uiso 1 1 d R U . . .
H11C H -0.453 1.4635 0.8041 0.055 Uiso 1 1 d R U . . .
C118 C -0.3709(6) 1.3308(4) 0.8221(4) 0.031(2) Uani 1 1 d . . . . .
H11D H -0.3264 1.3181 0.8404 0.047 Uiso 1 1 calc R U . . .
H11E H -0.3678 1.3241 0.7835 0.047 Uiso 1 1 calc R U . . .
H11F H -0.4105 1.3075 0.8355 0.047 Uiso 1 1 calc R U . . .
C119 C -0.3732(5) 1.5299(4) 0.8729(4) 0.019(2) Uani 1 1 d . . . . .
C120 C -0.4366(5) 1.5619(4) 0.8747(4) 0.024(2) Uani 1 1 d . . . . .
H120 H -0.4649 1.5575 0.905 0.029 Uiso 1 1 calc R U . . .
C121 C -0.4598(5) 1.5998(4) 0.8341(4) 0.030(2) Uani 1 1 d . . . . .
H121 H -0.5033 1.621 0.8363 0.036 Uiso 1 1 calc R U . . .
C122 C -0.4165(6) 1.6065(4) 0.7885(4) 0.032(2) Uani 1 1 d . . . . .
H122 H -0.432 1.6311 0.7594 0.038 Uiso 1 1 calc R U . . .
C123 C -0.3538(5) 1.5777(4) 0.7873(4) 0.024(2) Uani 1 1 d . . . . .
H123 H -0.3246 1.5831 0.7576 0.029 Uiso 1 1 calc R U . . .
C124 C -0.3309(5) 1.5403(4) 0.8288(4) 0.022(2) Uani 1 1 d . . . . .
H124 H -0.2859 1.5213 0.8273 0.026 Uiso 1 1 calc R U . . .
C125 C -0.2576(5) 1.4617(4) 0.9179(4) 0.022(2) Uani 1 1 d . . . . .
C126 C -0.2260(5) 1.4070(4) 0.9109(4) 0.025(2) Uani 1 1 d . . . . .
H126 H -0.255 1.3725 0.9061 0.029 Uiso 1 1 calc R U . . .
C127 C -0.1520(5) 1.4013(5) 0.9108(4) 0.035(2) Uani 1 1 d . . . . .
H127 H -0.1313 1.3631 0.9066 0.042 Uiso 1 1 calc R U . . .
C128 C -0.1093(6) 1.4504(5) 0.9168(4) 0.041(3) Uani 1 1 d . . . . .
H128 H -0.0591 1.4465 0.9154 0.05 Uiso 1 1 calc R U . . .
C129 C -0.1403(6) 1.5072(5) 0.9252(4) 0.035(3) Uani 1 1 d . . . . .
H129 H -0.1113 1.5416 0.9305 0.042 Uiso 1 1 calc R U . . .
C130 C -0.2139(5) 1.5115(4) 0.9255(4) 0.023(2) Uani 1 1 d . . . . .
H130 H -0.2351 1.5494 0.931 0.028 Uiso 1 1 calc R U . . .
C131 C -0.1755(6) 1.6272(4) 1.1935(4) 0.044(3) Uani 1 1 d . . . . .
H131 H -0.1895 1.6703 1.1926 0.052 Uiso 1 1 calc R U . . .
C132 C -0.1063(6) 1.6207(6) 1.1650(6) 0.069(4) Uani 1 1 d . . . . .
H13A H -0.0938 1.5783 1.1627 0.104 Uiso 1 1 calc R U . . .
H13B H -0.0684 1.6421 1.1849 0.104 Uiso 1 1 calc R U . . .
H13C H -0.112 1.6374 1.1289 0.104 Uiso 1 1 calc R U . . .
C133 C -0.1670(7) 1.6091(5) 1.2490(5) 0.067(4) Uani 1 1 d . . . . .
H13D H -0.2121 1.6144 1.2666 0.1 Uiso 1 1 calc R U . . .
H13E H -0.1302 1.6337 1.267 0.1 Uiso 1 1 calc R U . . .
H13F H -0.1528 1.567 1.2508 0.1 Uiso 1 1 calc R U . . .
C134 C -0.2436(5) 1.6633(4) 1.0760(4) 0.023(2) Uani 1 1 d . . . . .
C135 C -0.2231(5) 1.6352(4) 1.0298(4) 0.027(2) Uani 1 1 d . . . . .
H135 H -0.2408 1.5965 1.0209 0.033 Uiso 1 1 calc R U . . .
C136 C -0.1764(5) 1.6639(4) 0.9964(4) 0.033(2) Uani 1 1 d . . . . .
H136 H -0.1619 1.6444 0.965 0.039 Uiso 1 1 calc R U . . .
C137 C -0.1507(6) 1.7210(4) 1.0087(4) 0.035(3) Uani 1 1 d . . . . .
H137 H -0.1201 1.7408 0.9852 0.042 Uiso 1 1 calc R U . . .
C138 C -0.1697(5) 1.7474(4) 1.0536(4) 0.032(2) Uani 1 1 d . U . . .
H138 H -0.1503 1.7854 1.0625 0.039 Uiso 1 1 calc R U . . .
C139 C -0.2168(5) 1.7211(4) 1.0878(4) 0.027(2) Uani 1 1 d . U . . .
H139 H -0.231 1.7417 1.1189 0.032 Uiso 1 1 calc R U . . .
C140 C -0.3394(5) 1.6808(4) 1.1607(4) 0.0312(16) Uani 1 1 d . U . . .
C141 C -0.3745(5) 1.7265(4) 1.1308(5) 0.047(2) Uani 1 1 d . U . . .
H141 H -0.3692 1.7292 1.0933 0.056 Uiso 1 1 calc R U . . .
C142 C -0.4171(6) 1.7677(5) 1.1570(5) 0.064(3) Uani 1 1 d . U . . .
H142 H -0.4434 1.7975 1.1378 0.077 Uiso 1 1 calc R U . . .
C143 C -0.4193(7) 1.7630(5) 1.2121(6) 0.077(3) Uani 1 1 d . U . . .
H143 H -0.4461 1.7921 1.2302 0.093 Uiso 1 1 calc R U . . .
C144 C -0.3860(7) 1.7200(5) 1.2423(5) 0.068(3) Uani 1 1 d . U . . .
H144 H -0.3892 1.7192 1.2801 0.082 Uiso 1 1 calc R U . . .
C145 C -0.3461(6) 1.6763(4) 1.2148(4) 0.051(2) Uani 1 1 d . U . . .
H145 H -0.3241 1.6442 1.234 0.062 Uiso 1 1 calc R U . . .
C146 C -0.6793(5) 1.5578(4) 1.2408(4) 0.023(2) Uani 1 1 d . . . . .
H146 H -0.6674 1.537 1.2754 0.027 Uiso 1 1 calc R U . . .
C147 C -0.6930(5) 1.6224(4) 1.2522(4) 0.031(2) Uani 1 1 d . . . . .
H14A H -0.6514 1.6397 1.2712 0.046 Uiso 1 1 calc R U . . .
H14B H -0.7346 1.6259 1.2744 0.046 Uiso 1 1 calc R U . . .
H14C H -0.702 1.6438 1.2185 0.046 Uiso 1 1 calc R U . . .
C148 C -0.7457(5) 1.5296(4) 1.2156(4) 0.033(2) Uani 1 1 d . . . . .
H14D H -0.7535 1.545 1.1791 0.049 Uiso 1 1 calc R U . . .
H14E H -0.7867 1.5395 1.2368 0.049 Uiso 1 1 calc R U . . .
H14F H -0.7397 1.4862 1.2144 0.049 Uiso 1 1 calc R U . . .
C149 C -0.6062(5) 1.4310(3) 1.2375(4) 0.0182(16) Uani 1 1 d . U . . .
C150 C -0.6227(5) 1.4223(4) 1.2895(4) 0.0228(17) Uani 1 1 d . U . . .
H150 H -0.5998 1.4462 1.3164 0.027 Uiso 1 1 calc R U . . .
C151 C -0.6720(5) 1.3794(4) 1.3045(4) 0.0304(19) Uani 1 1 d . U . . .
H151 H -0.6836 1.3751 1.3409 0.037 Uiso 1 1 calc R U . . .
C152 C -0.7035(5) 1.3436(4) 1.2656(4) 0.032(2) Uani 1 1 d . U . . .
H152 H -0.7372 1.3144 1.2752 0.038 Uiso 1 1 calc R U . . .
C153 C -0.6865(5) 1.3500(4) 1.2129(4) 0.0287(18) Uani 1 1 d . U . . .
H153 H -0.7074 1.3244 1.1864 0.034 Uiso 1 1 calc R U . . .
C154 C -0.6391(5) 1.3934(4) 1.1988(4) 0.0220(16) Uani 1 1 d . U . . .
H154 H -0.6284 1.3982 1.1622 0.026 Uiso 1 1 calc R U . . .
C155 C -0.5024(5) 1.5168(4) 1.2740(4) 0.020(2) Uani 1 1 d . . . . .
C156 C -0.4953(5) 1.5768(4) 1.2881(4) 0.028(2) Uani 1 1 d . . . . .
H156 H -0.5218 1.6063 1.2688 0.033 Uiso 1 1 calc R U . . .
C157 C -0.4497(6) 1.5934(4) 1.3302(4) 0.037(3) Uani 1 1 d . . . . .
H157 H -0.4471 1.634 1.3411 0.045 Uiso 1 1 calc R U . . .
C158 C -0.4089(6) 1.5519(5) 1.3561(4) 0.038(3) Uani 1 1 d . . . . .
H158 H -0.377 1.5637 1.3844 0.045 Uiso 1 1 calc R U . . .
C159 C -0.4135(6) 1.4926(4) 1.3414(4) 0.036(3) Uani 1 1 d . . . . .
H159 H -0.3848 1.4637 1.3599 0.044 Uiso 1 1 calc R U . . .
C160 C -0.4589(5) 1.4751(4) 1.3005(4) 0.028(2) Uani 1 1 d . . . . .
H160 H -0.4609 1.4343 1.2901 0.033 Uiso 1 1 calc R U . . .
C161 C -0.5594(5) 1.2692(4) 0.9221(4) 0.026(2) Uani 1 1 d . . . . .
H161 H -0.6032 1.2532 0.9384 0.031 Uiso 1 1 calc R U . . .
C162 C -0.5067(5) 1.2192(4) 0.9213(5) 0.039(3) Uani 1 1 d . . . . .
H16A H -0.5272 1.1857 0.9007 0.059 Uiso 1 1 calc R U . . .
H16B H -0.4951 1.2061 0.958 0.059 Uiso 1 1 calc R U . . .
H16C H -0.4634 1.2329 0.9047 0.059 Uiso 1 1 calc R U . . .
C163 C -0.5804(5) 1.2891(4) 0.8663(4) 0.030(2) Uani 1 1 d . . . . .
H16D H -0.538 1.302 0.8479 0.045 Uiso 1 1 calc R U . . .
H16E H -0.614 1.3225 0.8679 0.045 Uiso 1 1 calc R U . . .
H16F H -0.603 1.2559 0.8466 0.045 Uiso 1 1 calc R U . . .
C164 C -0.5321(5) 1.2597(3) 1.0541(3) 0.0214(19) Uani 1 1 d . . . . .
C165 C -0.4669(4) 1.2505(3) 1.0799(3) 0.0220(18) Uani 1 1 d . . . . .
H165 H -0.4345 1.2829 1.0836 0.026 Uiso 1 1 calc R U . . .
C166 C -0.4474(4) 1.1944(3) 1.1007(3) 0.0256(18) Uani 1 1 d . . . . .
H166 H -0.4027 1.1889 1.119 0.031 Uiso 1 1 calc R U . . .
C167 C -0.4949(4) 1.1469(3) 1.0941(3) 0.0276(19) Uani 1 1 d . . . . .
H167 H -0.482 1.1085 1.1073 0.033 Uiso 1 1 calc R U . . .
C168 C -0.5602(5) 1.1554(4) 1.0687(4) 0.032(2) Uani 1 1 d . . . . .
H168 H -0.5923 1.1228 1.0649 0.038 Uiso 1 1 calc R U . . .
C169 C -0.5797(4) 1.2109(3) 1.0485(3) 0.0228(17) Uani 1 1 d . . . . .
H169 H -0.625 1.2162 1.031 0.027 Uiso 1 1 calc R U . . .
C170 C -0.6495(4) 1.3334(3) 1.0216(3) 0.0240(18) Uani 1 1 d . . . . .
C171 C -0.6836(4) 1.3191(3) 1.0666(3) 0.0257(18) Uani 1 1 d . . . . .
H171 H -0.6564 1.3083 1.0979 0.031 Uiso 1 1 calc R U . . .
C172 C -0.7571(4) 1.3199(3) 1.0680(4) 0.034(2) Uani 1 1 d . . . . .
H172 H -0.7798 1.3104 1.1001 0.041 Uiso 1 1 calc R U . . .
C173 C -0.7976(5) 1.3347(4) 1.0220(4) 0.040(2) Uani 1 1 d . . . . .
H173 H -0.8481 1.3334 1.022 0.048 Uiso 1 1 calc R U . . .
C174 C -0.7640(5) 1.3511(4) 0.9774(4) 0.039(2) Uani 1 1 d . . . . .
H174 H -0.7914 1.3632 0.9466 0.046 Uiso 1 1 calc R U . . .
C175 C -0.6899(4) 1.3503(4) 0.9759(4) 0.030(2) Uani 1 1 d . . . . .
H175 H -0.667 1.3612 0.9442 0.036 Uiso 1 1 calc R U . . .
C176 C -0.1342(5) 1.4069(4) 1.1722(4) 0.040(2) Uani 1 1 d . . . . .
H176 H -0.1325 1.3624 1.1749 0.048 Uiso 1 1 calc R U . . .
C177 C -0.0945(5) 1.4261(5) 1.1229(5) 0.068(3) Uani 1 1 d . . . . .
H17D H -0.1148 1.4056 1.0912 0.102 Uiso 1 1 calc R U . . .
H17E H -0.0441 1.4157 1.1278 0.102 Uiso 1 1 calc R U . . .
H17F H -0.0991 1.4694 1.118 0.102 Uiso 1 1 calc R U . . .
C178 C -0.0998(5) 1.4325(5) 1.2209(4) 0.059(3) Uani 1 1 d . . . . .
H17G H -0.1034 1.4761 1.2196 0.088 Uiso 1 1 calc R U . . .
H17H H -0.0496 1.4208 1.2231 0.088 Uiso 1 1 calc R U . . .
H17I H -0.1236 1.4176 1.2524 0.088 Uiso 1 1 calc R U . . .
C179 C -0.3042(4) 1.3449(3) 1.2119(3) 0.0221(18) Uani 1 1 d . . . . .
C180 C -0.2797(5) 1.3668(4) 1.2616(3) 0.0310(19) Uani 1 1 d . . . . .
H180 H -0.2469 1.399 1.2631 0.037 Uiso 1 1 calc R U . . .
C181 C -0.3021(5) 1.3427(4) 1.3082(3) 0.040(2) Uani 1 1 d . . . . .
H181 H -0.2842 1.3575 1.3416 0.048 Uiso 1 1 calc R U . . .
C182 C -0.3521(5) 1.2958(4) 1.3061(4) 0.034(2) Uani 1 1 d . . . . .
H182 H -0.3691 1.2798 1.3383 0.041 Uiso 1 1 calc R U . . .
C183 C -0.3759(4) 1.2733(3) 1.2584(4) 0.030(2) Uani 1 1 d . . . . .
H183 H -0.4082 1.2407 1.2573 0.037 Uiso 1 1 calc R U . . .
C184 C -0.3527(4) 1.2984(3) 1.2100(3) 0.0247(18) Uani 1 1 d . . . . .
H184 H -0.3703 1.2834 1.1766 0.03 Uiso 1 1 calc R U . . .
C185 C -0.2378(4) 1.3189(3) 1.1135(4) 0.0170(19) Uani 1 1 d . . . . .
C186 C -0.2165(5) 1.3275(4) 1.0614(4) 0.024(2) Uani 1 1 d . . . . .
H186 H -0.2279 1.364 1.0436 0.029 Uiso 1 1 calc R U . . .
C187 C -0.1791(5) 1.2841(4) 1.0350(4) 0.027(2) Uani 1 1 d . . . . .
H187 H -0.1645 1.2915 0.9997 0.033 Uiso 1 1 calc R U . . .
C188 C -0.1631(5) 1.2306(4) 1.0591(4) 0.032(2) Uani 1 1 d . . . . .
H188 H -0.1386 1.2005 1.0404 0.039 Uiso 1 1 calc R U . . .
C189 C -0.1828(5) 1.2211(4) 1.1106(4) 0.029(2) Uani 1 1 d . . . . .
H189 H -0.171 1.1842 1.1275 0.034 Uiso 1 1 calc R U . . .
C190 C -0.2186(5) 1.2628(4) 1.1380(4) 0.023(2) Uani 1 1 d . . . . .
H190 H -0.2311 1.255 1.1738 0.028 Uiso 1 1 calc R U . . .
N1 N 0.0600(4) 0.8306(3) 1.0573(3) 0.0207(17) Uani 1 1 d . . . . .
H1A H 0.0282 0.8542 1.0712 0.025 Uiso 0.1125(12) 1 calc R U P A 2
N2 N 0.1436(4) 1.0517(3) 0.7991(3) 0.0206(17) Uani 1 1 d . . . . .
H2 H 0.1387 1.0782 0.8246 0.025 Uiso 0.1125(12) 1 calc R U P A 2
N3 N -0.2495(4) 0.9139(3) 0.8269(3) 0.0278(17) Uani 1 1 d . U . . .
H3 H -0.2435 0.9529 0.8259 0.033 Uiso 0.1125(12) 1 calc R U P A 2
N4 N -0.0879(4) 0.9159(3) 1.1152(3) 0.0190(17) Uani 1 1 d . . . . .
H4 H -0.0644 0.89 1.0962 0.023 Uiso 0.1125(12) 1 calc R U P A 2
N5 N 0.1621(4) 1.1351(3) 0.9281(3) 0.0275(18) Uani 1 1 d . . . . .
H5A H 0.1528 1.1172 0.8973 0.033 Uiso 0.1125(12) 1 calc R U P A 2
N6 N -0.2488(4) 1.0801(3) 0.8359(3) 0.0238(17) Uani 1 1 d . . . . .
H6A H -0.2433 1.0421 0.828 0.029 Uiso 0.1125(12) 1 calc R U P A 2
N7 N -0.6497(4) 1.6205(3) 1.0713(3) 0.0265(16) Uani 1 1 d . U . . .
H7A H -0.6431 1.6002 1.1012 0.032 Uiso 0.1125(12) 1 calc R U P A 2
N8 N -0.3891(4) 1.4084(3) 0.8910(3) 0.0168(16) Uani 1 1 d . . . . .
H8A H -0.4114 1.3822 0.9105 0.02 Uiso 0.1125(12) 1 calc R U P A 2
N9 N -0.2336(4) 1.5922(3) 1.1662(3) 0.0275(18) Uani 1 1 d . . . . .
H9A H -0.2358 1.5536 1.1726 0.033 Uiso 0.1125(12) 1 calc R U P A 2
N10 N -0.6188(4) 1.5501(3) 1.2049(3) 0.0190(17) Uani 1 1 d . . . . .
H10 H -0.6153 1.5745 1.1775 0.023 Uiso 0.1125(12) 1 calc R U P A 2
N11 N -0.5349(4) 1.3208(3) 0.9550(3) 0.0244(18) Uani 1 1 d . . . . .
H11G H -0.509 1.348 0.9395 0.029 Uiso 0.1125(12) 1 calc R U P A 2
N12 N -0.2102(4) 1.4259(3) 1.1664(3) 0.0264(18) Uani 1 1 d . . . . .
H12A H -0.2202 1.4637 1.1718 0.032 Uiso 0.1125(12) 1 calc R U P A 2
P1 P 0.08884(13) 0.84500(10) 0.99734(10) 0.0248(5) Uani 1 1 d . . . . .
P2 P 0.08484(13) 0.99662(9) 0.79278(10) 0.0162(5) Uani 1 1 d . . . . .
P3 P -0.18774(12) 0.87223(9) 0.85624(10) 0.0182(5) Uani 1 1 d . . . . .
P4 P -0.12182(13) 0.97648(9) 1.08510(10) 0.0153(5) Uani 1 1 d . . . . .
P5 P 0.10851(12) 1.12425(9) 0.97849(9) 0.0199(5) Uani 1 1 d . . . . .
P6 P -0.18701(12) 1.11510(9) 0.87407(10) 0.0181(5) Uani 1 1 d . . . . .
P7 P -0.59644(13) 1.60703(10) 1.02053(10) 0.0280(6) Uani 1 1 d . U . . .
P8 P -0.35453(12) 1.46889(10) 0.92012(10) 0.0162(5) Uani 1 1 d . . . . .
P9 P -0.29392(13) 1.62175(10) 1.12479(11) 0.0228(5) Uani 1 1 d . U . . .
P10 P -0.55712(13) 1.49701(9) 1.21469(10) 0.0164(5) Uani 1 1 d . . . . .
P11 P -0.55268(12) 1.33118(9) 1.01885(9) 0.0197(5) Uani 1 1 d . . . . .
P12 P -0.27715(12) 1.37989(9) 1.15032(9) 0.0172(5) Uani 1 1 d . . . . .
Co1 Co 0.02994(6) 0.91728(5) 0.95912(5) 0.0149(3) Uani 1 1 d . . . . .
Co2 Co 0.03372(6) 1.05278(5) 0.96189(5) 0.0142(2) Uani 1 1 d . . . . .
Co3 Co 0.02026(6) 0.99090(5) 0.86142(5) 0.0134(3) Uani 1 1 d . . . . .
Co4 Co -0.10746(6) 1.05334(4) 0.90453(5) 0.0133(2) Uani 1 1 d . . . . .
Co5 Co -0.10721(6) 0.92542(4) 0.89750(5) 0.0125(2) Uani 1 1 d . . . . .
Co6 Co -0.08586(6) 0.98412(4) 1.00436(5) 0.0125(3) Uani 1 1 d . . . . .
Co7 Co -0.51249(6) 1.54506(5) 1.04307(5) 0.0165(3) Uani 1 1 d . . . . .
Co8 Co -0.50060(6) 1.41047(5) 1.05039(5) 0.0138(2) Uani 1 1 d . . . . .
Co9 Co -0.39112(6) 1.48039(4) 1.00015(5) 0.0138(3) Uani 1 1 d . . . . .
Co10 Co -0.36375(6) 1.42631(5) 1.10881(5) 0.0130(2) Uani 1 1 d . . . . .
Co11 Co -0.36992(6) 1.55450(5) 1.09751(5) 0.0152(3) Uani 1 1 d . . . . .
Co12 Co -0.49281(6) 1.48836(5) 1.14549(5) 0.0139(3) Uani 1 1 d . . . . .
Zn1 Zn -0.01486(6) 0.88123(4) 1.07596(4) 0.0141(2) Uani 0.8875(12) 1 d . . P A
1
Zn2 Zn 0.14112(6) 1.08534(5) 0.86835(5) 0.0178(3) Uani 0.8875(12) 1 d . . P A 1
Zn3 Zn -0.23696(6) 0.99685(5) 0.83886(5) 0.0188(3) Uani 0.8875(12) 1 d . . P A
1
Zn4 Zn -0.62034(6) 1.57900(5) 1.13394(5) 0.0170(3) Uani 0.8875(12) 1 d . . P A
1
Zn5 Zn -0.46037(6) 1.37322(5) 0.93244(5) 0.0186(3) Uani 0.8875(12) 1 d . . P A
1
Zn6 Zn -0.23566(7) 1.50728(5) 1.16087(5) 0.0258(3) Uani 0.8875(12) 1 d . . P A
1
Se1 Se 0.03461(5) 0.98348(4) 1.03299(4) 0.01621(19) Uani 1 1 d . . . . .
Se2 Se 0.11422(5) 0.98415(3) 0.92513(4) 0.01579(19) Uani 1 1 d . . . . .
Se3 Se 0.00136(4) 1.09381(3) 0.87830(4) 0.01538(19) Uani 1 1 d . . . . .
Se4 Se -0.09785(5) 0.99311(3) 0.82699(4) 0.01470(19) Uani 1 1 d . . . . .
Se5 Se -0.18582(5) 0.98712(3) 0.94421(4) 0.01325(18) Uani 1 1 d . . . . .
Se6 Se -0.08308(4) 0.88099(3) 0.98085(3) 0.01363(18) Uani 1 1 d . . . . .
Se7 Se 0.00311(4) 0.88803(3) 0.87103(3) 0.01519(19) Uani 1 1 d . . . . .
Se8 Se -0.07630(4) 1.08744(3) 0.99066(4) 0.01495(18) Uani 1 1 d . . . . .
Se9 Se -0.58804(5) 1.47490(3) 1.08337(4) 0.01622(19) Uani 1 1 d . . . . .
Se10 Se -0.51231(5) 1.47310(4) 0.97424(4) 0.01699(19) Uani 1 1 d . . . . .
Se11 Se -0.38727(4) 1.37858(3) 1.02680(3) 0.01353(18) Uani 1 1 d . . . . .
Se12 Se -0.29032(5) 1.48895(3) 1.05810(4) 0.01416(19) Uani 1 1 d . . . . .
Se13 Se -0.37339(5) 1.49683(4) 1.17710(4) 0.01574(19) Uani 1 1 d . . . . .
Se14 Se -0.48049(5) 1.59109(3) 1.12480(4) 0.0179(2) Uani 1 1 d . . . . .
Se15 Se -0.40618(5) 1.58357(3) 1.01042(4) 0.0173(2) Uani 1 1 d . . . . .
Se16 Se -0.47045(4) 1.38624(3) 1.13932(3) 0.01421(18) 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'
Zn Zn 0.2839 1.4301 '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
N1 C1 C2 110.6(8) . . ?
N1 C1 C3 111.6(8) . . ?
C2 C1 C3 110.0(8) . . ?
N1 C1 H1 108.2 . . ?
C2 C1 H1 108.2 . . ?
C3 C1 H1 108.2 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C9 119.3(8) . . ?
C5 C4 P1 119.6(7) . . ?
C9 C4 P1 120.3(7) . . ?
C4 C5 C6 121.3(9) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C7 117.6(10) . . ?
C5 C6 H6 121.2 . . ?
C7 C6 H6 121.2 . . ?
C8 C7 C6 121.9(9) . . ?
C8 C7 H7 119 . . ?
C6 C7 H7 119 . . ?
C7 C8 C9 120.9(9) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C4 118.8(10) . . ?
C8 C9 H9 120.6 . . ?
C4 C9 H9 120.6 . . ?
C15 C10 C11 117.2(9) . . ?
C15 C10 P1 122.0(8) . . ?
C11 C10 P1 120.6(7) . . ?
C12 C11 C10 122.2(10) . . ?
C12 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
C13 C12 C11 119.7(12) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 119.7(11) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 119.9(10) . . ?
C13 C14 H14 120 . . ?
C15 C14 H14 120 . . ?
C10 C15 C14 121.3(11) . . ?
C10 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
N2 C16 C18 110.7(8) . . ?
N2 C16 C17 109.6(7) . . ?
C18 C16 C17 112.8(7) . . ?
N2 C16 H16 107.9 . . ?
C18 C16 H16 107.9 . . ?
C17 C16 H16 107.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 117.8(8) . . ?
C20 C19 P2 118.7(7) . . ?
C24 C19 P2 122.8(7) . . ?
C21 C20 C19 121.0(9) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C22 C21 C20 120.1(9) . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C21 C22 C23 119.3(8) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 121.4(9) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 C19 120.3(9) . . ?
C23 C24 H24 119.9 . . ?
C19 C24 H24 119.9 . . ?
C30 C25 C26 118.6(9) . . ?
C30 C25 P2 120.8(7) . . ?
C26 C25 P2 120.4(7) . . ?
C27 C26 C25 120.4(9) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 120.2(10) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 119.9(10) . . ?
C29 C28 H28 120 . . ?
C27 C28 H28 120 . . ?
C28 C29 C30 120.6(10) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 120.2(9) . . ?
C29 C30 H30 119.9 . . ?
C25 C30 H30 119.9 . . ?
N3 C31 C33 110.5(8) . . ?
N3 C31 C32 110.6(8) . . ?
C33 C31 C32 111.1(8) . . ?
N3 C31 H31 108.2 . . ?
C33 C31 H31 108.2 . . ?
C32 C31 H31 108.2 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C39 119.6(8) . . ?
C35 C34 P3 121.7(7) . . ?
C39 C34 P3 118.4(6) . . ?
C34 C35 C36 121.8(9) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 H35 119.1 . . ?
C37 C36 C35 117.6(8) . . ?
C37 C36 H36 121.2 . . ?
C35 C36 H36 121.2 . . ?
C36 C37 C38 120.4(9) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C39 C38 C37 119.5(10) . . ?
C39 C38 H38 120.2 . . ?
C37 C38 H38 120.2 . . ?
C38 C39 C34 121.1(8) . . ?
C38 C39 H39 119.4 . . ?
C34 C39 H39 119.4 . . ?
C45 C40 C41 119.4(7) . . ?
C45 C40 P3 120.2(6) . . ?
C41 C40 P3 119.8(6) . . ?
C42 C41 C40 120.3(8) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C43 C42 C41 120.0(8) . . ?
C43 C42 H42 120 . . ?
C41 C42 H42 120 . . ?
C42 C43 C44 119.4(8) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.3 . . ?
C43 C44 C45 120.4(9) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C40 C45 C44 120.5(8) . . ?
C40 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
N4 C46 C47 112.8(8) . . ?
N4 C46 C48 109.4(7) . . ?
C47 C46 C48 110.4(8) . . ?
N4 C46 H46 108 . . ?
C47 C46 H46 108 . . ?
C48 C46 H46 108 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C54 C49 C50 117.6(8) . . ?
C54 C49 P4 120.9(7) . . ?
C50 C49 P4 120.5(7) . . ?
C51 C50 C49 120.4(9) . . ?
C51 C50 H50 119.8 . . ?
C49 C50 H50 119.8 . . ?
C52 C51 C50 121.3(9) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 H51 119.4 . . ?
C51 C52 C53 119.7(9) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
C54 C53 C52 120.0(10) . . ?
C54 C53 H53 120 . . ?
C52 C53 H53 120 . . ?
C53 C54 C49 121.0(9) . . ?
C53 C54 H54 119.5 . . ?
C49 C54 H54 119.5 . . ?
C56 C55 C60 118.5(8) . . ?
C56 C55 P4 121.1(7) . . ?
C60 C55 P4 120.3(7) . . ?
C57 C56 C55 120.2(9) . . ?
C57 C56 H56 119.9 . . ?
C55 C56 H56 119.9 . . ?
C56 C57 C58 119.6(9) . . ?
C56 C57 H57 120.2 . . ?
C58 C57 H57 120.2 . . ?
C59 C58 C57 120.1(10) . . ?
C59 C58 H58 119.9 . . ?
C57 C58 H58 119.9 . . ?
C58 C59 C60 121.4(10) . . ?
C58 C59 H59 119.3 . . ?
C60 C59 H59 119.3 . . ?
C59 C60 C55 120.1(9) . . ?
C59 C60 H60 120 . . ?
C55 C60 H60 120 . . ?
N5 C61 C63 110.0(8) . . ?
N5 C61 C62 109.2(7) . . ?
C63 C61 C62 109.9(8) . . ?
N5 C61 H61 109.2 . . ?
C63 C61 H61 109.2 . . ?
C62 C61 H61 109.2 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 C69 118.2(8) . . ?
C65 C64 P5 119.8(7) . . ?
C69 C64 P5 121.6(6) . . ?
C64 C65 C66 122.6(9) . . ?
C64 C65 H65 118.7 . . ?
C66 C65 H65 118.7 . . ?
C65 C66 C67 119.0(9) . . ?
C65 C66 H66 120.5 . . ?
C67 C66 H66 120.5 . . ?
C68 C67 C66 120.3(9) . . ?
C68 C67 H67 119.8 . . ?
C66 C67 H67 119.8 . . ?
C67 C68 C69 120.8(8) . . ?
C67 C68 H68 119.6 . . ?
C69 C68 H68 119.6 . . ?
C68 C69 C64 119.1(8) . . ?
C68 C69 H69 120.5 . . ?
C64 C69 H69 120.5 . . ?
C71 C70 C75 119.7(7) . . ?
C71 C70 P5 120.2(6) . . ?
C75 C70 P5 120.0(6) . . ?
C70 C71 C72 121.3(8) . . ?
C70 C71 H71 119.4 . . ?
C72 C71 H71 119.4 . . ?
C71 C72 C73 119.7(8) . . ?
C71 C72 H72 120.1 . . ?
C73 C72 H72 120.1 . . ?
C72 C73 C74 120.2(7) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 H73 119.9 . . ?
C73 C74 C75 119.9(7) . . ?
C73 C74 H74 120.1 . . ?
C75 C74 H74 120.1 . . ?
C74 C75 C70 119.1(8) . . ?
C74 C75 H75 120.4 . . ?
C70 C75 H75 120.4 . . ?
C77 C76 N6 113.4(9) . . ?
C77 C76 C78 111.4(10) . . ?
N6 C76 C78 108.7(9) . . ?
C77 C76 H76 107.7 . . ?
N6 C76 H76 107.7 . . ?
C78 C76 H76 107.7 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C84 C79 C80 117.5(8) . . ?
C84 C79 P6 122.5(7) . . ?
C80 C79 P6 119.5(6) . . ?
C81 C80 C79 121.3(8) . . ?
C81 C80 H80 119.3 . . ?
C79 C80 H80 119.3 . . ?
C80 C81 C82 120.9(9) . . ?
C80 C81 H81 119.5 . . ?
C82 C81 H81 119.5 . . ?
C81 C82 C83 118.9(9) . . ?
C81 C82 H82 120.5 . . ?
C83 C82 H82 120.5 . . ?
C84 C83 C82 120.4(8) . . ?
C84 C83 H83 119.8 . . ?
C82 C83 H83 119.8 . . ?
C83 C84 C79 120.8(9) . . ?
C83 C84 H84 119.6 . . ?
C79 C84 H84 119.6 . . ?
C90 C85 C86 119.5(8) . . ?
C90 C85 P6 120.2(7) . . ?
C86 C85 P6 119.9(7) . . ?
C87 C86 C85 119.8(9) . . ?
C87 C86 H86 120.1 . . ?
C85 C86 H86 120.1 . . ?
C88 C87 C86 121.0(9) . . ?
C88 C87 H87 119.5 . . ?
C86 C87 H87 119.5 . . ?
C87 C88 C89 119.4(8) . . ?
C87 C88 H88 120.3 . . ?
C89 C88 H88 120.3 . . ?
C88 C89 C90 120.4(9) . . ?
C88 C89 H89 119.8 . . ?
C90 C89 H89 119.8 . . ?
C85 C90 C89 119.7(9) . . ?
C85 C90 H90 120.2 . . ?
C89 C90 H90 120.2 . . ?
N7 C101 C102 110.7(8) . . ?
N7 C101 C103 111.5(7) . . ?
C102 C101 C103 111.9(8) . . ?
N7 C101 H101 107.5 . . ?
C102 C101 H101 107.5 . . ?
C103 C101 H101 107.5 . . ?
C101 C102 H10A 109.5 . . ?
C101 C102 H10B 109.5 . . ?
H10A C102 H10B 109.5 . . ?
C101 C102 H10C 109.5 . . ?
H10A C102 H10C 109.5 . . ?
H10B C102 H10C 109.5 . . ?
C101 C103 H10D 109.5 . . ?
C101 C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
C101 C103 H10F 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?
C105 C104 C109 118.0(10) . . ?
C105 C104 P7 121.0(7) . . ?
C109 C104 P7 120.4(9) . . ?
C106 C105 C104 120.0(10) . . ?
C106 C105 H105 120 . . ?
C104 C105 H105 120 . . ?
C107 C106 C105 123.5(13) . . ?
C107 C106 H106 118.2 . . ?
C105 C106 H106 118.2 . . ?
C106 C107 C108 117.9(11) . . ?
C106 C107 H107 121.1 . . ?
C108 C107 H107 121.1 . . ?
C107 C108 C109 121.5(10) . . ?
C107 C108 H108 119.3 . . ?
C109 C108 H108 119.3 . . ?
C108 C109 C104 119.1(10) . . ?
C108 C109 H109 120.4 . . ?
C104 C109 H109 120.4 . . ?
C111 C110 C115 119.4(10) . . ?
C111 C110 P7 119.9(9) . . ?
C115 C110 P7 120.2(9) . . ?
C110 C111 C112 123.7(12) . . ?
C110 C111 H111 118.2 . . ?
C112 C111 H111 118.2 . . ?
C113 C112 C111 116.2(13) . . ?
C113 C112 H112 121.9 . . ?
C111 C112 H112 121.9 . . ?
C112 C113 C114 123.1(11) . . ?
C112 C113 H113 118.4 . . ?
C114 C113 H113 118.4 . . ?
C115 C114 C113 117.9(12) . . ?
C115 C114 H114 121.1 . . ?
C113 C114 H114 121.1 . . ?
C114 C115 C110 119.7(13) . . ?
C114 C115 H115 120.2 . . ?
C110 C115 H115 120.2 . . ?
N8 C116 C118 110.3(7) . . ?
N8 C116 C117 111.5(7) . . ?
C118 C116 C117 110.7(8) . . ?
N8 C116 H116 108 . . ?
C118 C116 H116 108 . . ?
C117 C116 H116 108 . . ?
C116 C117 H11A 109.5 . . ?
C116 C117 H11B 109.5 . . ?
H11A C117 H11B 109.5 . . ?
C116 C117 H11C 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C116 C118 H11D 109.5 . . ?
C116 C118 H11E 109.5 . . ?
H11D C118 H11E 109.5 . . ?
C116 C118 H11F 109.5 . . ?
H11D C118 H11F 109.5 . . ?
H11E C118 H11F 109.5 . . ?
C120 C119 C124 116.9(8) . . ?
C120 C119 P8 120.3(7) . . ?
C124 C119 P8 122.0(7) . . ?
C121 C120 C119 122.5(9) . . ?
C121 C120 H120 118.8 . . ?
C119 C120 H120 118.8 . . ?
C120 C121 C122 118.5(9) . . ?
C120 C121 H121 120.8 . . ?
C122 C121 H121 120.8 . . ?
C123 C122 C121 119.5(9) . . ?
C123 C122 H122 120.2 . . ?
C121 C122 H122 120.2 . . ?
C122 C123 C124 121.2(9) . . ?
C122 C123 H123 119.4 . . ?
C124 C123 H123 119.4 . . ?
C123 C124 C119 121.3(9) . . ?
C123 C124 H124 119.4 . . ?
C119 C124 H124 119.4 . . ?
C126 C125 C130 118.3(9) . . ?
C126 C125 P8 121.1(7) . . ?
C130 C125 P8 120.5(7) . . ?
C125 C126 C127 121.0(9) . . ?
C125 C126 H126 119.5 . . ?
C127 C126 H126 119.5 . . ?
C128 C127 C126 120.6(9) . . ?
C128 C127 H127 119.7 . . ?
C126 C127 H127 119.7 . . ?
C127 C128 C129 119.6(10) . . ?
C127 C128 H128 120.2 . . ?
C129 C128 H128 120.2 . . ?
C130 C129 C128 118.6(10) . . ?
C130 C129 H129 120.7 . . ?
C128 C129 H129 120.7 . . ?
C129 C130 C125 121.8(9) . . ?
C129 C130 H130 119.1 . . ?
C125 C130 H130 119.1 . . ?
C133 C131 N9 110.1(9) . . ?
C133 C131 C132 111.1(10) . . ?
N9 C131 C132 111.2(9) . . ?
C133 C131 H131 108.1 . . ?
N9 C131 H131 108.1 . . ?
C132 C131 H131 108.1 . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C135 C134 C139 118.8(9) . . ?
C135 C134 P9 119.7(6) . . ?
C139 C134 P9 121.0(8) . . ?
C134 C135 C136 119.6(9) . . ?
C134 C135 H135 120.2 . . ?
C136 C135 H135 120.2 . . ?
C135 C136 C137 120.8(10) . . ?
C135 C136 H136 119.6 . . ?
C137 C136 H136 119.6 . . ?
C138 C137 C136 119.3(10) . . ?
C138 C137 H137 120.3 . . ?
C136 C137 H137 120.3 . . ?
C137 C138 C139 122.1(9) . . ?
C137 C138 H138 118.9 . . ?
C139 C138 H138 118.9 . . ?
C138 C139 C134 119.3(9) . . ?
C138 C139 H139 120.4 . . ?
C134 C139 H139 120.4 . . ?
C145 C140 C141 121.1(9) . . ?
C145 C140 P9 119.8(8) . . ?
C141 C140 P9 118.6(7) . . ?
C142 C141 C140 119.4(10) . . ?
C142 C141 H141 120.3 . . ?
C140 C141 H141 120.3 . . ?
C143 C142 C141 117.1(12) . . ?
C143 C142 H142 121.4 . . ?
C141 C142 H142 121.4 . . ?
C144 C143 C142 125.2(12) . . ?
C144 C143 H143 117.4 . . ?
C142 C143 H143 117.4 . . ?
C143 C144 C145 117.1(12) . . ?
C143 C144 H144 121.4 . . ?
C145 C144 H144 121.4 . . ?
C140 C145 C144 119.9(11) . . ?
C140 C145 H145 120.1 . . ?
C144 C145 H145 120.1 . . ?
N10 C146 C147 111.6(7) . . ?
N10 C146 C148 109.7(8) . . ?
C147 C146 C148 109.7(8) . . ?
N10 C146 H146 108.6 . . ?
C147 C146 H146 108.6 . . ?
C148 C146 H146 108.6 . . ?
C146 C147 H14A 109.5 . . ?
C146 C147 H14B 109.5 . . ?
H14A C147 H14B 109.5 . . ?
C146 C147 H14C 109.5 . . ?
H14A C147 H14C 109.5 . . ?
H14B C147 H14C 109.5 . . ?
C146 C148 H14D 109.5 . . ?
C146 C148 H14E 109.5 . . ?
H14D C148 H14E 109.5 . . ?
C146 C148 H14F 109.5 . . ?
H14D C148 H14F 109.5 . . ?
H14E C148 H14F 109.5 . . ?
C150 C149 C154 117.4(8) . . ?
C150 C149 P10 123.0(7) . . ?
C154 C149 P10 118.6(7) . . ?
C149 C150 C151 122.2(9) . . ?
C149 C150 H150 118.9 . . ?
C151 C150 H150 118.9 . . ?
C152 C151 C150 118.8(10) . . ?
C152 C151 H151 120.6 . . ?
C150 C151 H151 120.6 . . ?
C151 C152 C153 120.5(9) . . ?
C151 C152 H152 119.8 . . ?
C153 C152 H152 119.8 . . ?
C154 C153 C152 119.8(9) . . ?
C154 C153 H153 120.1 . . ?
C152 C153 H153 120.1 . . ?
C153 C154 C149 121.2(9) . . ?
C153 C154 H154 119.4 . . ?
C149 C154 H154 119.4 . . ?
C160 C155 C156 118.5(9) . . ?
C160 C155 P10 121.8(7) . . ?
C156 C155 P10 119.0(7) . . ?
C157 C156 C155 120.2(9) . . ?
C157 C156 H156 119.9 . . ?
C155 C156 H156 119.9 . . ?
C158 C157 C156 120.2(9) . . ?
C158 C157 H157 119.9 . . ?
C156 C157 H157 119.9 . . ?
C157 C158 C159 120.4(10) . . ?
C157 C158 H158 119.8 . . ?
C159 C158 H158 119.8 . . ?
C160 C159 C158 120.3(10) . . ?
C160 C159 H159 119.8 . . ?
C158 C159 H159 119.8 . . ?
C159 C160 C155 120.3(9) . . ?
C159 C160 H160 119.9 . . ?
C155 C160 H160 119.9 . . ?
N11 C161 C162 113.6(8) . . ?
N11 C161 C163 110.4(7) . . ?
C162 C161 C163 111.0(9) . . ?
N11 C161 H161 107.2 . . ?
C162 C161 H161 107.2 . . ?
C163 C161 H161 107.2 . . ?
C161 C162 H16A 109.5 . . ?
C161 C162 H16B 109.5 . . ?
H16A C162 H16B 109.5 . . ?
C161 C162 H16C 109.5 . . ?
H16A C162 H16C 109.5 . . ?
H16B C162 H16C 109.5 . . ?
C161 C163 H16D 109.5 . . ?
C161 C163 H16E 109.5 . . ?
H16D C163 H16E 109.5 . . ?
C161 C163 H16F 109.5 . . ?
H16D C163 H16F 109.5 . . ?
H16E C163 H16F 109.5 . . ?
C165 C164 C169 118.6(7) . . ?
C165 C164 P11 120.9(6) . . ?
C169 C164 P11 119.9(6) . . ?
C164 C165 C166 121.4(8) . . ?
C164 C165 H165 119.3 . . ?
C166 C165 H165 119.3 . . ?
C167 C166 C165 118.8(8) . . ?
C167 C166 H166 120.6 . . ?
C165 C166 H166 120.6 . . ?
C168 C167 C166 120.5(7) . . ?
C168 C167 H167 119.8 . . ?
C166 C167 H167 119.8 . . ?
C167 C168 C169 120.8(8) . . ?
C167 C168 H168 119.6 . . ?
C169 C168 H168 119.6 . . ?
C168 C169 C164 119.9(8) . . ?
C168 C169 H169 120 . . ?
C164 C169 H169 120 . . ?
C171 C170 C175 119.0(7) . . ?
C171 C170 P11 121.9(6) . . ?
C175 C170 P11 119.1(6) . . ?
C170 C171 C172 121.5(8) . . ?
C170 C171 H171 119.3 . . ?
C172 C171 H171 119.3 . . ?
C171 C172 C173 119.8(8) . . ?
C171 C172 H172 120.1 . . ?
C173 C172 H172 120.1 . . ?
C174 C173 C172 119.1(8) . . ?
C174 C173 H173 120.5 . . ?
C172 C173 H173 120.5 . . ?
C173 C174 C175 121.2(9) . . ?
C173 C174 H174 119.4 . . ?
C175 C174 H174 119.4 . . ?
C174 C175 C170 119.4(8) . . ?
C174 C175 H175 120.3 . . ?
C170 C175 H175 120.3 . . ?
C178 C176 N12 110.9(8) . . ?
C178 C176 C177 110.3(8) . . ?
N12 C176 C177 109.8(8) . . ?
C178 C176 H176 108.6 . . ?
N12 C176 H176 108.6 . . ?
C177 C176 H176 108.6 . . ?
C176 C177 H17D 109.5 . . ?
C176 C177 H17E 109.5 . . ?
H17D C177 H17E 109.5 . . ?
C176 C177 H17F 109.5 . . ?
H17D C177 H17F 109.5 . . ?
H17E C177 H17F 109.5 . . ?
C176 C178 H17G 109.5 . . ?
C176 C178 H17H 109.5 . . ?
H17G C178 H17H 109.5 . . ?
C176 C178 H17I 109.5 . . ?
H17G C178 H17I 109.5 . . ?
H17H C178 H17I 109.5 . . ?
C184 C179 C180 119.2(7) . . ?
C184 C179 P12 120.0(6) . . ?
C180 C179 P12 120.7(6) . . ?
C181 C180 C179 121.3(8) . . ?
C181 C180 H180 119.3 . . ?
C179 C180 H180 119.3 . . ?
C180 C181 C182 119.4(8) . . ?
C180 C181 H181 120.3 . . ?
C182 C181 H181 120.3 . . ?
C183 C182 C181 120.4(8) . . ?
C183 C182 H182 119.8 . . ?
C181 C182 H182 119.8 . . ?
C182 C183 C184 120.2(8) . . ?
C182 C183 H183 119.9 . . ?
C184 C183 H183 119.9 . . ?
C179 C184 C183 119.6(8) . . ?
C179 C184 H184 120.2 . . ?
C183 C184 H184 120.2 . . ?
C186 C185 C190 116.4(8) . . ?
C186 C185 P12 120.4(6) . . ?
C190 C185 P12 122.7(7) . . ?
C187 C186 C185 121.3(8) . . ?
C187 C186 H186 119.3 . . ?
C185 C186 H186 119.3 . . ?
C188 C187 C186 120.8(9) . . ?
C188 C187 H187 119.6 . . ?
C186 C187 H187 119.6 . . ?
C187 C188 C189 119.1(9) . . ?
C187 C188 H188 120.4 . . ?
C189 C188 H188 120.4 . . ?
C190 C189 C188 121.8(9) . . ?
C190 C189 H189 119.1 . . ?
C188 C189 H189 119.1 . . ?
C189 C190 C185 120.5(9) . . ?
C189 C190 H190 119.7 . . ?
C185 C190 H190 119.7 . . ?
C1 N1 P1 120.7(6) . . ?
C1 N1 Zn1 126.3(6) . . ?
P1 N1 Zn1 112.6(4) . . ?
C1 N1 H1A 119.6 . . ?
P1 N1 H1A 119.6 . . ?
C16 N2 P2 122.4(6) . . ?
C16 N2 Zn2 124.4(6) . . ?
P2 N2 Zn2 110.0(4) . . ?
C16 N2 H2 118.8 . . ?
P2 N2 H2 118.8 . . ?
C31 N3 P3 121.7(6) . . ?
C31 N3 Zn3 123.5(6) . . ?
P3 N3 Zn3 113.9(4) . . ?
C31 N3 H3 119.1 . . ?
P3 N3 H3 119.1 . . ?
C46 N4 P4 122.3(6) . . ?
C46 N4 Zn1 122.6(6) . . ?
P4 N4 Zn1 111.9(4) . . ?
C46 N4 H4 118.9 . . ?
P4 N4 H4 118.9 . . ?
C61 N5 P5 121.0(6) . . ?
C61 N5 Zn2 124.9(6) . . ?
P5 N5 Zn2 113.6(4) . . ?
C61 N5 H5A 119.5 . . ?
P5 N5 H5A 119.5 . . ?
C76 N6 P6 120.6(6) . . ?
C76 N6 Zn3 126.3(6) . . ?
P6 N6 Zn3 111.3(4) . . ?
C76 N6 H6A 119.7 . . ?
P6 N6 H6A 119.7 . . ?
C101 N7 P7 122.0(6) . . ?
C101 N7 Zn4 125.4(6) . . ?
P7 N7 Zn4 112.2(4) . . ?
C101 N7 H7A 119 . . ?
P7 N7 H7A 119 . . ?
C116 N8 P8 121.5(6) . . ?
C116 N8 Zn5 123.2(6) . . ?
P8 N8 Zn5 111.9(4) . . ?
C116 N8 H8A 119.2 . . ?
P8 N8 H8A 119.2 . . ?
C131 N9 P9 123.5(6) . . ?
C131 N9 Zn6 124.8(6) . . ?
P9 N9 Zn6 110.2(4) . . ?
C131 N9 H9A 118.2 . . ?
P9 N9 H9A 118.2 . . ?
C146 N10 P10 122.5(6) . . ?
C146 N10 Zn4 123.0(6) . . ?
P10 N10 Zn4 111.4(4) . . ?
C146 N10 H10 118.8 . . ?
P10 N10 H10 118.8 . . ?
C161 N11 P11 125.0(6) . . ?
C161 N11 Zn5 121.7(6) . . ?
P11 N11 Zn5 111.8(4) . . ?
C161 N11 H11G 117.5 . . ?
P11 N11 H11G 117.5 . . ?
C176 N12 P12 124.1(5) . . ?
C176 N12 Zn6 121.4(5) . . ?
P12 N12 Zn6 113.1(4) . . ?
C176 N12 H12A 118 . . ?
P12 N12 H12A 118 . . ?
N1 P1 C10 107.4(4) . . ?
N1 P1 C4 104.6(4) . . ?
C10 P1 C4 103.3(4) . . ?
N1 P1 Co1 111.6(3) . . ?
C10 P1 Co1 111.8(3) . . ?
C4 P1 Co1 117.3(3) . . ?
N2 P2 C25 107.9(4) . . ?
N2 P2 C19 105.3(4) . . ?
C25 P2 C19 102.9(4) . . ?
N2 P2 Co3 111.4(3) . . ?
C25 P2 Co3 110.2(3) . . ?
C19 P2 Co3 118.4(3) . . ?
N2 P2 Zn2 37.6(3) . . ?
C25 P2 Zn2 126.8(3) . . ?
C19 P2 Zn2 122.0(3) . . ?
Co3 P2 Zn2 73.96(7) . . ?
N3 P3 C34 104.6(4) . . ?
N3 P3 C40 108.4(4) . . ?
C34 P3 C40 103.4(4) . . ?
N3 P3 Co5 111.8(3) . . ?
C34 P3 Co5 118.6(3) . . ?
C40 P3 Co5 109.3(3) . . ?
N4 P4 C55 106.8(4) . . ?
N4 P4 C49 105.8(4) . . ?
C55 P4 C49 100.8(4) . . ?
N4 P4 Co6 111.0(3) . . ?
C55 P4 Co6 113.4(3) . . ?
C49 P4 Co6 118.0(3) . . ?
N5 P5 C64 105.6(4) . . ?
N5 P5 C70 105.2(4) . . ?
C64 P5 C70 103.1(4) . . ?
N5 P5 Co2 111.8(3) . . ?
C64 P5 Co2 116.0(3) . . ?
C70 P5 Co2 114.0(3) . . ?
N6 P6 C79 105.2(4) . . ?
N6 P6 C85 106.6(4) . . ?
C79 P6 C85 103.2(4) . . ?
N6 P6 Co4 111.0(2) . . ?
C79 P6 Co4 119.3(3) . . ?
C85 P6 Co4 110.6(3) . . ?
N7 P7 C110 106.1(4) . . ?
N7 P7 C104 108.1(4) . . ?
C110 P7 C104 104.6(5) . . ?
N7 P7 Co7 111.7(3) . . ?
C110 P7 Co7 116.6(4) . . ?
C104 P7 Co7 109.2(3) . . ?
N8 P8 C119 105.3(4) . . ?
N8 P8 C125 106.8(4) . . ?
C119 P8 C125 102.2(4) . . ?
N8 P8 Co9 111.8(3) . . ?
C119 P8 Co9 116.7(3) . . ?
C125 P8 Co9 113.1(3) . . ?
N9 P9 C134 105.2(4) . . ?
N9 P9 C140 107.8(4) . . ?
C134 P9 C140 103.0(4) . . ?
N9 P9 Co11 110.4(3) . . ?
C134 P9 Co11 119.7(3) . . ?
C140 P9 Co11 109.9(3) . . ?
N9 P9 Zn6 37.8(2) . . ?
C134 P9 Zn6 117.1(3) . . ?
C140 P9 Zn6 131.3(3) . . ?
Co11 P9 Zn6 73.86(7) . . ?
N10 P10 C155 108.2(4) . . ?
N10 P10 C149 105.2(4) . . ?
C155 P10 C149 102.5(4) . . ?
N10 P10 Co12 110.7(3) . . ?
C155 P10 Co12 110.9(3) . . ?
C149 P10 Co12 118.6(3) . . ?
N11 P11 C170 106.2(4) . . ?
N11 P11 C164 106.8(4) . . ?
C170 P11 C164 101.2(4) . . ?
N11 P11 Co8 111.1(3) . . ?
C170 P11 Co8 113.7(3) . . ?
C164 P11 Co8 116.8(3) . . ?
N12 P12 C179 107.2(4) . . ?
N12 P12 C185 105.5(4) . . ?
C179 P12 C185 103.8(4) . . ?
N12 P12 Co10 111.5(3) . . ?
C179 P12 Co10 112.5(3) . . ?
C185 P12 Co10 115.6(3) . . ?
P1 Co1 Se7 107.18(8) . . ?
P1 Co1 Se6 95.21(8) . . ?
Se7 Co1 Se6 87.61(5) . . ?
P1 Co1 Se2 107.10(8) . . ?
Se7 Co1 Se2 87.74(5) . . ?
Se6 Co1 Se2 157.59(6) . . ?
P1 Co1 Se1 96.93(8) . . ?
Se7 Co1 Se1 155.80(6) . . ?
Se6 Co1 Se1 92.37(5) . . ?
Se2 Co1 Se1 83.11(5) . . ?
P1 Co1 Co6 126.24(8) . . ?
Se7 Co1 Co6 112.00(5) . . ?
Se6 Co1 Co6 52.55(4) . . ?
Se2 Co1 Co6 109.73(5) . . ?
Se1 Co1 Co6 51.63(4) . . ?
P1 Co1 Co3 143.01(8) . . ?
Se7 Co1 Co3 50.96(4) . . ?
Se6 Co1 Co3 110.93(5) . . ?
Se2 Co1 Co3 50.76(4) . . ?
Se1 Co1 Co3 107.25(5) . . ?
Co6 Co1 Co3 90.73(4) . . ?
P1 Co1 Co5 134.23(8) . . ?
Se7 Co1 Co5 51.25(4) . . ?
Se6 Co1 Co5 50.68(4) . . ?
Se2 Co1 Co5 110.91(5) . . ?
Se1 Co1 Co5 111.89(5) . . ?
Co6 Co1 Co5 61.32(4) . . ?
Co3 Co1 Co5 60.62(4) . . ?
P5 Co2 Se3 91.45(8) . . ?
P5 Co2 Se8 105.74(8) . . ?
Se3 Co2 Se8 86.76(5) . . ?
P5 Co2 Se1 110.92(8) . . ?
Se3 Co2 Se1 157.61(6) . . ?
Se8 Co2 Se1 88.05(5) . . ?
P5 Co2 Se2 97.68(8) . . ?
Se3 Co2 Se2 93.14(5) . . ?
Se8 Co2 Se2 156.57(6) . . ?
Se1 Co2 Se2 83.16(5) . . ?
P5 Co2 Co3 124.02(8) . . ?
Se3 Co2 Co3 52.91(4) . . ?
Se8 Co2 Co3 112.29(5) . . ?
Se1 Co2 Co3 109.90(5) . . ?
Se2 Co2 Co3 51.88(4) . . ?
P5 Co2 Co6 144.59(8) . . ?
Se3 Co2 Co6 110.52(5) . . ?
Se8 Co2 Co6 50.93(4) . . ?
Se1 Co2 Co6 50.94(4) . . ?
Se2 Co2 Co6 108.03(5) . . ?
Co3 Co2 Co6 91.26(4) . . ?
P5 Co2 Co4 130.79(8) . . ?
Se3 Co2 Co4 51.01(4) . . ?
Se8 Co2 Co4 50.57(4) . . ?
Se1 Co2 Co4 110.28(5) . . ?
Se2 Co2 Co4 112.85(5) . . ?
Co3 Co2 Co4 62.15(4) . . ?
Co6 Co2 Co4 59.82(4) . . ?
P2 Co3 Se2 96.49(8) . . ?
P2 Co3 Se7 103.04(7) . . ?
Se2 Co3 Se7 88.27(5) . . ?
P2 Co3 Se4 105.19(9) . . ?
Se2 Co3 Se4 158.29(7) . . ?
Se7 Co3 Se4 85.77(5) . . ?
P2 Co3 Se3 100.27(7) . . ?
Se2 Co3 Se3 93.21(5) . . ?
Se7 Co3 Se3 156.33(6) . . ?
Se4 Co3 Se3 84.18(5) . . ?
P2 Co3 Co2 129.68(8) . . ?
Se2 Co3 Co2 52.87(4) . . ?
Se7 Co3 Co2 113.11(5) . . ?
Se4 Co3 Co2 111.08(5) . . ?
Se3 Co3 Co2 52.00(4) . . ?
P2 Co3 Co1 132.74(8) . . ?
Se2 Co3 Co1 51.55(4) . . ?
Se7 Co3 Co1 50.84(4) . . ?
Se4 Co3 Co1 110.00(5) . . ?
Se3 Co3 Co1 113.59(5) . . ?
Co2 Co3 Co1 62.84(4) . . ?
P2 Co3 Co5 139.40(8) . . ?
Se2 Co3 Co5 110.92(5) . . ?
Se7 Co3 Co5 50.86(4) . . ?
Se4 Co3 Co5 50.34(4) . . ?
Se3 Co3 Co5 107.20(5) . . ?
Co2 Co3 Co5 90.91(5) . . ?
Co1 Co3 Co5 59.85(4) . . ?
P6 Co4 Se8 105.15(8) . . ?
P6 Co4 Se5 96.69(8) . . ?
Se8 Co4 Se5 87.40(5) . . ?
P6 Co4 Se3 104.69(8) . . ?
Se8 Co4 Se3 86.71(5) . . ?
Se5 Co4 Se3 158.62(6) . . ?
P6 Co4 Se4 98.61(8) . . ?
Se8 Co4 Se4 155.99(6) . . ?
Se5 Co4 Se4 93.26(5) . . ?
Se3 Co4 Se4 84.00(5) . . ?
P6 Co4 Co5 128.45(8) . . ?
Se8 Co4 Co5 112.41(5) . . ?
Se5 Co4 Co5 52.85(4) . . ?
Se3 Co4 Co5 111.30(5) . . ?
Se4 Co4 Co5 51.91(4) . . ?
P6 Co4 Co6 134.92(8) . . ?
Se8 Co4 Co6 51.03(4) . . ?
Se5 Co4 Co6 51.42(4) . . ?
Se3 Co4 Co6 110.22(5) . . ?
Se4 Co4 Co6 112.37(5) . . ?
Co5 Co4 Co6 61.82(4) . . ?
P6 Co4 Co2 140.28(8) . . ?
Se8 Co4 Co2 50.89(4) . . ?
Se5 Co4 Co2 111.02(5) . . ?
Se3 Co4 Co2 50.63(4) . . ?
Se4 Co4 Co2 107.27(5) . . ?
Co5 Co4 Co2 91.25(4) . . ?
Co6 Co4 Co2 59.90(4) . . ?
P3 Co5 Se4 93.96(8) . . ?
P3 Co5 Se6 107.44(8) . . ?
Se4 Co5 Se6 158.59(6) . . ?
P3 Co5 Se7 106.18(8) . . ?
Se4 Co5 Se7 85.67(5) . . ?
Se6 Co5 Se7 87.59(5) . . ?
P3 Co5 Se5 96.78(8) . . ?
Se4 Co5 Se5 93.54(5) . . ?
Se6 Co5 Se5 84.87(5) . . ?
Se7 Co5 Se5 157.03(6) . . ?
P3 Co5 Co4 125.27(8) . . ?
Se4 Co5 Co4 53.11(4) . . ?
Se6 Co5 Co4 111.75(5) . . ?
Se7 Co5 Co4 112.05(5) . . ?
Se5 Co5 Co4 52.01(4) . . ?
P3 Co5 Co1 142.81(8) . . ?
Se4 Co5 Co1 110.07(5) . . ?
Se6 Co5 Co1 51.29(4) . . ?
Se7 Co5 Co1 50.60(4) . . ?
Se5 Co5 Co1 109.13(5) . . ?
Co4 Co5 Co1 91.90(4) . . ?
P3 Co5 Co3 133.19(8) . . ?
Se4 Co5 Co3 50.72(4) . . ?
Se6 Co5 Co3 110.46(5) . . ?
Se7 Co5 Co3 50.34(4) . . ?
Se5 Co5 Co3 112.87(5) . . ?
Co4 Co5 Co3 62.03(4) . . ?
Co1 Co5 Co3 59.53(4) . . ?
P3 Co5 Co6 137.46(8) . . ?
Se4 Co5 Co6 112.24(5) . . ?
Se6 Co5 Co6 51.35(4) . . ?
Se7 Co5 Co6 108.59(5) . . ?
Se5 Co5 Co6 50.68(4) . . ?
Co4 Co5 Co6 60.49(4) . . ?
Co1 Co5 Co6 58.53(4) . . ?
Co3 Co5 Co6 88.50(4) . . ?
P4 Co6 Se8 104.07(7) . . ?
P4 Co6 Se1 92.77(8) . . ?
Se8 Co6 Se1 88.39(5) . . ?
P4 Co6 Se5 109.08(8) . . ?
Se8 Co6 Se5 86.70(5) . . ?
Se1 Co6 Se5 158.14(7) . . ?
P4 Co6 Se6 99.48(7) . . ?
Se8 Co6 Se6 156.39(7) . . ?
Se1 Co6 Se6 92.24(5) . . ?
Se5 Co6 Se6 83.97(5) . . ?
P4 Co6 Co1 126.14(8) . . ?
Se8 Co6 Co1 112.79(5) . . ?
Se1 Co6 Co1 52.23(4) . . ?
Se5 Co6 Co1 110.85(5) . . ?
Se6 Co6 Co1 51.80(4) . . ?
P4 Co6 Co4 142.55(8) . . ?
Se8 Co6 Co4 50.80(4) . . ?
Se1 Co6 Co4 111.08(5) . . ?
Se5 Co6 Co4 50.73(4) . . ?
Se6 Co6 Co4 107.64(5) . . ?
Co1 Co6 Co4 91.18(5) . . ?
P4 Co6 Co2 130.36(8) . . ?
Se8 Co6 Co2 51.03(4) . . ?
Se1 Co6 Co2 51.28(4) . . ?
Se5 Co6 Co2 110.72(5) . . ?
Se6 Co6 Co2 112.98(5) . . ?
Co1 Co6 Co2 62.32(4) . . ?
Co4 Co6 Co2 60.28(4) . . ?
P4 Co6 Co5 139.84(8) . . ?
Se8 Co6 Co5 108.10(5) . . ?
Se1 Co6 Co5 111.31(5) . . ?
Se5 Co6 Co5 50.80(4) . . ?
Se6 Co6 Co5 50.03(4) . . ?
Co1 Co6 Co5 60.14(4) . . ?
Co4 Co6 Co5 57.69(4) . . ?
Co2 Co6 Co5 89.08(4) . . ?
P7 Co7 Se14 96.02(9) . . ?
P7 Co7 Se15 107.25(8) . . ?
Se14 Co7 Se15 87.12(5) . . ?
P7 Co7 Se10 105.69(9) . . ?
Se14 Co7 Se10 158.20(6) . . ?
Se15 Co7 Se10 88.33(5) . . ?
P7 Co7 Se9 95.30(8) . . ?
Se14 Co7 Se9 93.29(5) . . ?
Se15 Co7 Se9 157.30(6) . . ?
Se10 Co7 Se9 82.90(5) . . ?
P7 Co7 Co12 125.73(9) . . ?
Se14 Co7 Co12 52.89(4) . . ?
Se15 Co7 Co12 113.01(6) . . ?
Se10 Co7 Co12 110.24(5) . . ?
Se9 Co7 Co12 52.06(4) . . ?
P7 Co7 Co9 142.24(9) . . ?
Se14 Co7 Co9 111.01(5) . . ?
Se15 Co7 Co9 51.05(4) . . ?
Se10 Co7 Co9 51.21(4) . . ?
Se9 Co7 Co9 108.43(5) . . ?
Co12 Co7 Co9 91.95(5) . . ?
P7 Co7 Co11 135.42(9) . . ?
Se14 Co7 Co11 51.16(4) . . ?
Se15 Co7 Co11 50.83(4) . . ?
Se10 Co7 Co11 110.88(5) . . ?
Se9 Co7 Co11 113.46(5) . . ?
Co12 Co7 Co11 62.58(4) . . ?
Co9 Co7 Co11 60.16(4) . . ?
P11 Co8 Se16 104.25(8) . . ?
P11 Co8 Se11 93.52(8) . . ?
Se16 Co8 Se11 88.88(5) . . ?
P11 Co8 Se9 108.50(8) . . ?
Se16 Co8 Se9 87.41(5) . . ?
Se11 Co8 Se9 157.90(6) . . ?
P11 Co8 Se10 99.57(8) . . ?
Se16 Co8 Se10 156.08(6) . . ?
Se11 Co8 Se10 91.95(5) . . ?
Se9 Co8 Se10 82.87(5) . . ?
P11 Co8 Co9 127.01(8) . . ?
Se16 Co8 Co9 112.76(5) . . ?
Se11 Co8 Co9 52.38(4) . . ?
Se9 Co8 Co9 109.70(5) . . ?
Se10 Co8 Co9 51.62(4) . . ?
P11 Co8 Co10 131.13(8) . . ?
Se16 Co8 Co10 51.57(4) . . ?
Se11 Co8 Co10 51.20(4) . . ?
Se9 Co8 Co10 111.21(5) . . ?
Se10 Co8 Co10 112.41(5) . . ?
Co9 Co8 Co10 61.85(4) . . ?
P11 Co8 Co12 141.94(8) . . ?
Se16 Co8 Co12 50.72(4) . . ?
Se11 Co8 Co12 111.51(5) . . ?
Se9 Co8 Co12 50.92(4) . . ?
Se10 Co8 Co12 107.41(5) . . ?
Co9 Co8 Co12 91.00(4) . . ?
Co10 Co8 Co12 60.76(4) . . ?
P8 Co9 Se15 105.29(8) . . ?
P8 Co9 Se12 107.64(8) . . ?
Se15 Co9 Se12 87.13(5) . . ?
P8 Co9 Se10 94.44(8) . . ?
Se15 Co9 Se10 88.77(5) . . ?
Se12 Co9 Se10 157.84(7) . . ?
P8 Co9 Se11 97.98(7) . . ?
Se15 Co9 Se11 156.61(7) . . ?
Se12 Co9 Se11 83.69(5) . . ?
Se10 Co9 Se11 91.67(5) . . ?
P8 Co9 Co8 126.42(8) . . ?
Se15 Co9 Co8 113.08(5) . . ?
Se12 Co9 Co8 110.17(5) . . ?
Se10 Co9 Co8 52.19(4) . . ?
Se11 Co9 Co8 51.46(4) . . ?
P8 Co9 Co7 132.69(8) . . ?
Se15 Co9 Co7 51.37(4) . . ?
Se12 Co9 Co7 110.70(5) . . ?
Se10 Co9 Co7 51.45(4) . . ?
Se11 Co9 Co7 112.65(5) . . ?
Co8 Co9 Co7 62.26(4) . . ?
P8 Co9 Co11 142.42(8) . . ?
Se15 Co9 Co11 50.96(4) . . ?
Se12 Co9 Co11 50.75(4) . . ?
Se10 Co9 Co11 111.29(5) . . ?
Se11 Co9 Co11 107.76(5) . . ?
Co8 Co9 Co11 91.16(5) . . ?
Co7 Co9 Co11 60.33(4) . . ?
P12 Co10 Se13 93.00(8) . . ?
P12 Co10 Se11 108.31(8) . . ?
Se13 Co10 Se11 158.67(6) . . ?
P12 Co10 Se16 107.26(8) . . ?
Se13 Co10 Se16 85.89(5) . . ?
Se11 Co10 Se16 88.66(5) . . ?
P12 Co10 Se12 95.61(8) . . ?
Se13 Co10 Se12 93.19(5) . . ?
Se11 Co10 Se12 83.94(5) . . ?
Se16 Co10 Se12 157.14(6) . . ?
P12 Co10 Co11 123.48(8) . . ?
Se13 Co10 Co11 52.87(4) . . ?
Se11 Co10 Co11 111.26(5) . . ?
Se16 Co10 Co11 112.30(5) . . ?
Se12 Co10 Co11 51.79(4) . . ?
P12 Co10 Co8 144.21(8) . . ?
Se13 Co10 Co8 110.73(5) . . ?
Se11 Co10 Co8 51.37(4) . . ?
Se16 Co10 Co8 51.12(4) . . ?
Se12 Co10 Co8 108.86(5) . . ?
Co11 Co10 Co8 92.31(4) . . ?
P12 Co10 Co12 133.21(8) . . ?
Se13 Co10 Co12 51.03(4) . . ?
Se11 Co10 Co12 110.84(5) . . ?
Se16 Co10 Co12 50.26(4) . . ?
Se12 Co10 Co12 112.89(5) . . ?
Co11 Co10 Co12 62.32(4) . . ?
Co8 Co10 Co12 59.93(4) . . ?
P9 Co11 Se12 98.23(8) . . ?
P9 Co11 Se15 105.26(9) . . ?
Se12 Co11 Se15 87.12(5) . . ?
P9 Co11 Se14 104.20(8) . . ?
Se12 Co11 Se14 157.57(6) . . ?
Se15 Co11 Se14 86.89(5) . . ?
P9 Co11 Se13 98.81(9) . . ?
Se12 Co11 Se13 92.98(5) . . ?
Se15 Co11 Se13 155.67(6) . . ?
Se14 Co11 Se13 83.81(5) . . ?
P9 Co11 Co10 129.53(8) . . ?
Se12 Co11 Co10 52.72(4) . . ?
Se15 Co11 Co10 112.06(5) . . ?
Se14 Co11 Co10 110.43(5) . . ?
Se13 Co11 Co10 51.68(4) . . ?
P9 Co11 Co9 135.54(9) . . ?
Se12 Co11 Co9 50.94(4) . . ?
Se15 Co11 Co9 50.77(4) . . ?
Se14 Co11 Co9 109.94(5) . . ?
Se13 Co11 Co9 112.20(5) . . ?
Co10 Co11 Co9 61.77(4) . . ?
P9 Co11 Co7 140.07(8) . . ?
Se12 Co11 Co7 110.08(5) . . ?
Se15 Co11 Co7 50.95(4) . . ?
Se14 Co11 Co7 50.74(4) . . ?
Se13 Co11 Co7 106.96(5) . . ?
Co10 Co11 Co7 90.36(4) . . ?
Co9 Co11 Co7 59.51(4) . . ?
P10 Co12 Se16 104.44(7) . . ?
P10 Co12 Se9 96.07(8) . . ?
Se16 Co12 Se9 88.00(5) . . ?
P10 Co12 Se13 106.26(9) . . ?
Se16 Co12 Se13 85.93(5) . . ?
Se9 Co12 Se13 157.66(7) . . ?
P10 Co12 Se14 98.67(7) . . ?
Se16 Co12 Se14 156.58(7) . . ?
Se9 Co12 Se14 93.37(5) . . ?
Se13 Co12 Se14 83.99(5) . . ?
P10 Co12 Co7 128.30(8) . . ?
Se16 Co12 Co7 113.06(5) . . ?
Se9 Co12 Co7 52.91(4) . . ?
Se13 Co12 Co7 110.55(5) . . ?
Se14 Co12 Co7 52.15(4) . . ?
P10 Co12 Co8 133.52(8) . . ?
Se16 Co12 Co8 50.94(4) . . ?
Se9 Co12 Co8 51.44(4) . . ?
Se13 Co12 Co8 109.51(5) . . ?
Se14 Co12 Co8 113.55(5) . . ?
Co7 Co12 Co8 62.65(4) . . ?
P10 Co12 Co10 141.20(8) . . ?
Se16 Co12 Co10 50.93(4) . . ?
Se9 Co12 Co10 110.30(5) . . ?
Se13 Co12 Co10 50.43(4) . . ?
Se14 Co12 Co10 107.32(5) . . ?
Co7 Co12 Co10 90.50(5) . . ?
Co8 Co12 Co10 59.31(4) . . ?
N1 Zn1 N4 160.8(3) . . ?
N1 Zn1 Se6 96.7(2) . . ?
N4 Zn1 Se6 97.6(2) . . ?
N1 Zn1 Se1 97.9(2) . . ?
N4 Zn1 Se1 97.4(2) . . ?
Se6 Zn1 Se1 78.90(4) . . ?
N2 Zn2 N5 161.0(3) . . ?
N2 Zn2 Se3 100.1(2) . . ?
N5 Zn2 Se3 93.4(2) . . ?
N2 Zn2 Se2 99.1(2) . . ?
N5 Zn2 Se2 96.5(2) . . ?
Se3 Zn2 Se2 78.81(4) . . ?
N2 Zn2 P2 32.4(2) . . ?
N5 Zn2 P2 166.6(2) . . ?
Se3 Zn2 P2 76.95(6) . . ?
Se2 Zn2 P2 72.67(6) . . ?
N6 Zn3 N3 162.3(3) . . ?
N6 Zn3 Se4 98.2(2) . . ?
N3 Zn3 Se4 93.9(2) . . ?
N6 Zn3 Se5 98.7(2) . . ?
N3 Zn3 Se5 96.3(2) . . ?
Se4 Zn3 Se5 78.33(4) . . ?
N7 Zn4 N10 160.6(3) . . ?
N7 Zn4 Se14 97.8(2) . . ?
N10 Zn4 Se14 97.9(2) . . ?
N7 Zn4 Se9 95.6(2) . . ?
N10 Zn4 Se9 98.5(2) . . ?
Se14 Zn4 Se9 78.95(4) . . ?
N8 Zn5 N11 161.7(3) . . ?
N8 Zn5 Se10 98.2(2) . . ?
N11 Zn5 Se10 96.5(2) . . ?
N8 Zn5 Se11 96.5(2) . . ?
N11 Zn5 Se11 97.0(2) . . ?
Se10 Zn5 Se11 78.50(4) . . ?
N12 Zn6 N9 162.4(3) . . ?
N12 Zn6 Se13 98.7(2) . . ?
N9 Zn6 Se13 95.4(3) . . ?
N12 Zn6 Se12 90.5(2) . . ?
N9 Zn6 Se12 102.7(2) . . ?
Se13 Zn6 Se12 78.44(4) . . ?
N12 Zn6 P9 164.2(2) . . ?
N9 Zn6 P9 32.0(2) . . ?
Se13 Zn6 P9 76.55(6) . . ?
Se12 Zn6 P9 73.80(6) . . ?
Co6 Se1 Co2 77.78(5) . . ?
Co6 Se1 Co1 76.14(5) . . ?
Co2 Se1 Co1 79.87(5) . . ?
Co6 Se1 Zn1 77.52(4) . . ?
Co2 Se1 Zn1 149.57(5) . . ?
Co1 Se1 Zn1 77.20(4) . . ?
Co3 Se2 Co1 77.68(5) . . ?
Co3 Se2 Co2 75.25(5) . . ?
Co1 Se2 Co2 79.80(5) . . ?
Co3 Se2 Zn2 75.07(4) . . ?
Co1 Se2 Zn2 148.57(5) . . ?
Co2 Se2 Zn2 78.39(4) . . ?
Co2 Se3 Co4 78.35(5) . . ?
Co2 Se3 Co3 75.09(5) . . ?
Co4 Se3 Co3 79.28(4) . . ?
Co2 Se3 Zn2 80.38(5) . . ?
Co4 Se3 Zn2 150.76(5) . . ?
Co3 Se3 Zn2 76.00(4) . . ?
Co5 Se4 Co3 78.94(5) . . ?
Co5 Se4 Co4 74.98(5) . . ?
Co3 Se4 Co4 79.29(5) . . ?
Co5 Se4 Zn3 80.28(5) . . ?
Co3 Se4 Zn3 152.07(6) . . ?
Co4 Se4 Zn3 77.44(5) . . ?
Co4 Se5 Co6 77.85(5) . . ?
Co4 Se5 Co5 75.14(5) . . ?
Co6 Se5 Co5 78.52(5) . . ?
Co4 Se5 Zn3 75.39(5) . . ?
Co6 Se5 Zn3 147.51(5) . . ?
Co5 Se5 Zn3 77.09(4) . . ?
Co5 Se6 Co1 78.03(5) . . ?
Co5 Se6 Co6 78.63(4) . . ?
Co1 Se6 Co6 75.65(4) . . ?
Co5 Se6 Zn1 150.12(5) . . ?
Co1 Se6 Zn1 78.38(5) . . ?
Co6 Se6 Zn1 77.98(4) . . ?
Co1 Se7 Co3 78.20(5) . . ?
Co1 Se7 Co5 78.15(5) . . ?
Co3 Se7 Co5 78.80(4) . . ?
Co4 Se8 Co6 78.17(4) . . ?
Co4 Se8 Co2 78.54(5) . . ?
Co6 Se8 Co2 78.04(5) . . ?
Co12 Se9 Co8 77.64(5) . . ?
Co12 Se9 Co7 75.03(5) . . ?
Co8 Se9 Co7 79.53(5) . . ?
Co12 Se9 Zn4 76.18(4) . . ?
Co8 Se9 Zn4 148.64(5) . . ?
Co7 Se9 Zn4 77.29(4) . . ?
Co9 Se10 Co7 77.34(5) . . ?
Co9 Se10 Co8 76.19(5) . . ?
Co7 Se10 Co8 79.61(5) . . ?
Co9 Se10 Zn5 78.48(4) . . ?
Co7 Se10 Zn5 150.38(5) . . ?
Co8 Se10 Zn5 78.22(4) . . ?
Co10 Se11 Co8 77.43(5) . . ?
Co10 Se11 Co9 79.09(5) . . ?
Co8 Se11 Co9 76.16(5) . . ?
Co10 Se11 Zn5 149.68(5) . . ?
Co8 Se11 Zn5 78.26(5) . . ?
Co9 Se11 Zn5 77.72(4) . . ?
Co11 Se12 Co9 78.30(5) . . ?
Co11 Se12 Co10 75.49(5) . . ?
Co9 Se12 Co10 79.00(5) . . ?
Co11 Se12 Zn6 74.65(5) . . ?
Co9 Se12 Zn6 148.05(6) . . ?
Co10 Se12 Zn6 78.03(5) . . ?
Co10 Se13 Co12 78.54(5) . . ?
Co10 Se13 Co11 75.45(5) . . ?
Co12 Se13 Co11 79.64(5) . . ?
Co10 Se13 Zn6 80.95(5) . . ?
Co12 Se13 Zn6 151.61(6) . . ?
Co11 Se13 Zn6 76.33(5) . . ?
Co7 Se14 Co11 78.10(5) . . ?
Co7 Se14 Co12 74.96(5) . . ?
Co11 Se14 Co12 79.72(5) . . ?
Co7 Se14 Zn4 79.07(5) . . ?
Co11 Se14 Zn4 150.91(5) . . ?
Co12 Se14 Zn4 77.12(4) . . ?
Co9 Se15 Co11 78.27(5) . . ?
Co9 Se15 Co7 77.58(5) . . ?
Co11 Se15 Co7 78.22(5) . . ?
Co12 Se16 Co8 78.34(5) . . ?
Co12 Se16 Co10 78.82(5) . . ?
Co8 Se16 Co10 77.31(5) . . ?
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 N1 1.484(10) . ?
C1 C2 1.545(13) . ?
C1 C3 1.557(14) . ?
C1 H1 1 . ?
C2 H2A 0.98 . ?
C2 H2B 0.98 . ?
C2 H2C 0.98 . ?
C3 H3A 0.98 . ?
C3 H3B 0.98 . ?
C3 H3C 0.98 . ?
C4 C5 1.364(13) . ?
C4 C9 1.428(11) . ?
C4 P1 1.837(8) . ?
C5 C6 1.395(12) . ?
C5 H5 0.95 . ?
C6 C7 1.414(14) . ?
C6 H6 0.95 . ?
C7 C8 1.326(15) . ?
C7 H7 0.95 . ?
C8 C9 1.389(12) . ?
C8 H8 0.95 . ?
C9 H9 0.95 . ?
C10 C15 1.391(12) . ?
C10 C11 1.414(13) . ?
C10 P1 1.808(9) . ?
C11 C12 1.395(13) . ?
C11 H11 0.95 . ?
C12 C13 1.389(16) . ?
C12 H12 0.95 . ?
C13 C14 1.397(17) . ?
C13 H13 0.95 . ?
C14 C15 1.417(14) . ?
C14 H14 0.95 . ?
C15 H15 0.95 . ?
C16 N2 1.473(11) . ?
C16 C18 1.525(13) . ?
C16 C17 1.558(12) . ?
C16 H16 1 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 C20 1.406(13) . ?
C19 C24 1.407(12) . ?
C19 P2 1.831(9) . ?
C20 C21 1.400(12) . ?
C20 H20 0.95 . ?
C21 C22 1.378(13) . ?
C21 H21 0.95 . ?
C22 C23 1.392(13) . ?
C22 H22 0.95 . ?
C23 C24 1.380(13) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C30 1.393(13) . ?
C25 C26 1.402(12) . ?
C25 P2 1.823(10) . ?
C26 C27 1.380(14) . ?
C26 H26 0.95 . ?
C27 C28 1.389(15) . ?
C27 H27 0.95 . ?
C28 C29 1.365(15) . ?
C28 H28 0.95 . ?
C29 C30 1.392(14) . ?
C29 H29 0.95 . ?
C30 H30 0.95 . ?
C31 N3 1.470(10) . ?
C31 C33 1.534(13) . ?
C31 C32 1.540(14) . ?
C31 H31 1 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C34 C35 1.347(12) . ?
C34 C39 1.392(13) . ?
C34 P3 1.851(9) . ?
C35 C36 1.429(12) . ?
C35 H35 0.95 . ?
C36 C37 1.389(13) . ?
C36 H36 0.95 . ?
C37 C38 1.410(13) . ?
C37 H37 0.95 . ?
C38 C39 1.368(13) . ?
C38 H38 0.95 . ?
C39 H39 0.95 . ?
C40 C45 1.361(11) . ?
C40 C41 1.409(11) . ?
C40 P3 1.851(8) . ?
C41 C42 1.391(10) . ?
C41 H41 0.95 . ?
C42 C43 1.386(12) . ?
C42 H42 0.95 . ?
C43 C44 1.388(13) . ?
C43 H43 0.95 . ?
C44 C45 1.403(11) . ?
C44 H44 0.95 . ?
C45 H45 0.95 . ?
C46 N4 1.485(11) . ?
C46 C47 1.496(13) . ?
C46 C48 1.524(12) . ?
C46 H46 1 . ?
C47 H47A 0.98 . ?
C47 H47B 0.98 . ?
C47 H47C 0.98 . ?
C48 H48A 0.98 . ?
C48 H48B 0.98 . ?
C48 H48C 0.98 . ?
C49 C54 1.390(12) . ?
C49 C50 1.419(12) . ?
C49 P4 1.845(9) . ?
C50 C51 1.365(12) . ?
C50 H50 0.95 . ?
C51 C52 1.363(14) . ?
C51 H51 0.95 . ?
C52 C53 1.387(14) . ?
C52 H52 0.95 . ?
C53 C54 1.383(13) . ?
C53 H53 0.95 . ?
C54 H54 0.95 . ?
C55 C56 1.391(12) . ?
C55 C60 1.411(12) . ?
C55 P4 1.831(8) . ?
C56 C57 1.386(13) . ?
C56 H56 0.95 . ?
C57 C58 1.396(14) . ?
C57 H57 0.95 . ?
C58 C59 1.352(14) . ?
C58 H58 0.95 . ?
C59 C60 1.360(14) . ?
C59 H59 0.95 . ?
C60 H60 0.95 . ?
C61 N5 1.491(10) . ?
C61 C63 1.524(12) . ?
C61 C62 1.525(13) . ?
C61 H61 1 . ?
C62 H62A 0.98 . ?
C62 H62B 0.98 . ?
C62 H62C 0.98 . ?
C63 H63A 0.98 . ?
C63 H63B 0.98 . ?
C63 H63C 0.98 . ?
C64 C65 1.350(12) . ?
C64 C69 1.420(11) . ?
C64 P5 1.835(8) . ?
C65 C66 1.379(13) . ?
C65 H65 0.95 . ?
C66 C67 1.387(12) . ?
C66 H66 0.95 . ?
C67 C68 1.349(12) . ?
C67 H67 0.95 . ?
C68 C69 1.399(11) . ?
C68 H68 0.95 . ?
C69 H69 0.95 . ?
C70 C71 1.374(11) . ?
C70 C75 1.409(10) . ?
C70 P5 1.860(8) . ?
C71 C72 1.383(11) . ?
C71 H71 0.95 . ?
C72 C73 1.387(11) . ?
C72 H72 0.95 . ?
C73 C74 1.393(11) . ?
C73 H73 0.95 . ?
C74 C75 1.404(10) . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 C77 1.485(16) . ?
C76 N6 1.486(12) . ?
C76 C78 1.569(17) . ?
C76 H76 1 . ?
C77 H77A 0.98 . ?
C77 H77B 0.98 . ?
C77 H77C 0.98 . ?
C78 H78A 0.98 . ?
C78 H78B 0.98 . ?
C78 H78C 0.98 . ?
C79 C84 1.396(11) . ?
C79 C80 1.410(12) . ?
C79 P6 1.839(9) . ?
C80 C81 1.361(13) . ?
C80 H80 0.95 . ?
C81 C82 1.377(12) . ?
C81 H81 0.95 . ?
C82 C83 1.398(13) . ?
C82 H82 0.95 . ?
C83 C84 1.380(13) . ?
C83 H83 0.95 . ?
C84 H84 0.95 . ?
C85 C90 1.382(12) . ?
C85 C86 1.409(12) . ?
C85 P6 1.840(8) . ?
C86 C87 1.377(12) . ?
C86 H86 0.95 . ?
C87 C88 1.375(13) . ?
C87 H87 0.95 . ?
C88 C89 1.393(14) . ?
C88 H88 0.95 . ?
C89 C90 1.397(12) . ?
C89 H89 0.95 . ?
C90 H90 0.95 . ?
C101 N7 1.469(10) . ?
C101 C102 1.498(12) . ?
C101 C103 1.498(12) . ?
C101 H101 1 . ?
C102 H10A 0.98 . ?
C102 H10B 0.98 . ?
C102 H10C 0.98 . ?
C103 H10D 0.98 . ?
C103 H10E 0.98 . ?
C103 H10F 0.98 . ?
C104 C105 1.372(14) . ?
C104 C109 1.408(13) . ?
C104 P7 1.860(12) . ?
C105 C106 1.367(13) . ?
C105 H105 0.95 . ?
C106 C107 1.336(14) . ?
C106 H106 0.95 . ?
C107 C108 1.364(15) . ?
C107 H107 0.95 . ?
C108 C109 1.393(14) . ?
C108 H108 0.95 . ?
C109 H109 0.95 . ?
C110 C111 1.323(16) . ?
C110 C115 1.440(15) . ?
C110 P7 1.826(9) . ?
C111 C112 1.447(14) . ?
C111 H111 0.95 . ?
C112 C113 1.351(18) . ?
C112 H112 0.95 . ?
C113 C114 1.440(19) . ?
C113 H113 0.95 . ?
C114 C115 1.391(14) . ?
C114 H114 0.95 . ?
C115 H115 0.95 . ?
C116 N8 1.488(11) . ?
C116 C118 1.538(12) . ?
C116 C117 1.541(13) . ?
C116 H116 1 . ?
C117 H11A 0.98 . ?
C117 H11B 0.98 . ?
C117 H11C 0.98 . ?
C118 H11D 0.98 . ?
C118 H11E 0.98 . ?
C118 H11F 0.98 . ?
C119 C120 1.394(12) . ?
C119 C124 1.406(12) . ?
C119 P8 1.832(9) . ?
C120 C121 1.383(12) . ?
C120 H120 0.95 . ?
C121 C122 1.436(14) . ?
C121 H121 0.95 . ?
C122 C123 1.347(13) . ?
C122 H122 0.95 . ?
C123 C124 1.389(12) . ?
C123 H123 0.95 . ?
C124 H124 0.95 . ?
C125 C126 1.376(12) . ?
C125 C130 1.394(12) . ?
C125 P8 1.834(10) . ?
C126 C127 1.398(13) . ?
C126 H126 0.95 . ?
C127 C128 1.367(14) . ?
C127 H127 0.95 . ?
C128 C129 1.419(14) . ?
C128 H128 0.95 . ?
C129 C130 1.389(14) . ?
C129 H129 0.95 . ?
C130 H130 0.95 . ?
C131 C133 1.449(15) . ?
C131 N9 1.488(12) . ?
C131 C132 1.518(16) . ?
C131 H131 1 . ?
C132 H13A 0.98 . ?
C132 H13B 0.98 . ?
C132 H13C 0.98 . ?
C133 H13D 0.98 . ?
C133 H13E 0.98 . ?
C133 H13F 0.98 . ?
C134 C135 1.386(13) . ?
C134 C139 1.416(12) . ?
C134 P9 1.829(9) . ?
C135 C136 1.393(13) . ?
C135 H135 0.95 . ?
C136 C137 1.398(13) . ?
C136 H136 0.95 . ?
C137 C138 1.332(14) . ?
C137 H137 0.95 . ?
C138 C139 1.390(13) . ?
C138 H138 0.95 . ?
C139 H139 0.95 . ?
C140 C145 1.369(13) . ?
C140 C141 1.416(13) . ?
C140 P9 1.830(9) . ?
C141 C142 1.404(13) . ?
C141 H141 0.95 . ?
C142 C143 1.386(17) . ?
C142 H142 0.95 . ?
C143 C144 1.361(17) . ?
C143 H143 0.95 . ?
C144 C145 1.428(14) . ?
C144 H144 0.95 . ?
C145 H145 0.95 . ?
C146 N10 1.488(11) . ?
C146 C147 1.499(12) . ?
C146 C148 1.515(13) . ?
C146 H146 1 . ?
C147 H14A 0.98 . ?
C147 H14B 0.98 . ?
C147 H14C 0.98 . ?
C148 H14D 0.98 . ?
C148 H14E 0.98 . ?
C148 H14F 0.98 . ?
C149 C150 1.364(12) . ?
C149 C154 1.408(12) . ?
C149 P10 1.845(8) . ?
C150 C151 1.398(13) . ?
C150 H150 0.95 . ?
C151 C152 1.376(14) . ?
C151 H151 0.95 . ?
C152 C153 1.379(14) . ?
C152 H152 0.95 . ?
C153 C154 1.375(12) . ?
C153 H153 0.95 . ?
C154 H154 0.95 . ?
C155 C160 1.392(13) . ?
C155 C156 1.396(12) . ?
C155 P10 1.827(10) . ?
C156 C157 1.383(14) . ?
C156 H156 0.95 . ?
C157 C158 1.353(14) . ?
C157 H157 0.95 . ?
C158 C159 1.381(14) . ?
C158 H158 0.95 . ?
C159 C160 1.366(14) . ?
C159 H159 0.95 . ?
C160 H160 0.95 . ?
C161 N11 1.481(11) . ?
C161 C162 1.496(13) . ?
C161 C163 1.505(13) . ?
C161 H161 1 . ?
C162 H16A 0.98 . ?
C162 H16B 0.98 . ?
C162 H16C 0.98 . ?
C163 H16D 0.98 . ?
C163 H16E 0.98 . ?
C163 H16F 0.98 . ?
C164 C165 1.379(11) . ?
C164 C169 1.417(11) . ?
C164 P11 1.861(8) . ?
C165 C166 1.405(10) . ?
C165 H165 0.95 . ?
C166 C167 1.394(11) . ?
C166 H166 0.95 . ?
C167 C168 1.374(12) . ?
C167 H167 0.95 . ?
C168 C169 1.386(11) . ?
C168 H168 0.95 . ?
C169 H169 0.95 . ?
C170 C171 1.357(10) . ?
C170 C175 1.399(12) . ?
C170 P11 1.827(8) . ?
C171 C172 1.385(11) . ?
C171 H171 0.95 . ?
C172 C173 1.395(12) . ?
C172 H172 0.95 . ?
C173 C174 1.356(12) . ?
C173 H173 0.95 . ?
C174 C175 1.398(11) . ?
C174 H174 0.95 . ?
C175 H175 0.95 . ?
C176 C178 1.474(13) . ?
C176 N12 1.492(11) . ?
C176 C177 1.530(14) . ?
C176 H176 1 . ?
C177 H17D 0.98 . ?
C177 H17E 0.98 . ?
C177 H17F 0.98 . ?
C178 H17G 0.98 . ?
C178 H17H 0.98 . ?
C178 H17I 0.98 . ?
C179 C184 1.385(11) . ?
C179 C180 1.397(11) . ?
C179 P12 1.820(8) . ?
C180 C181 1.365(10) . ?
C180 H180 0.95 . ?
C181 C182 1.411(13) . ?
C181 H181 0.95 . ?
C182 C183 1.355(12) . ?
C182 H182 0.95 . ?
C183 C184 1.420(11) . ?
C183 H183 0.95 . ?
C184 H184 0.95 . ?
C185 C186 1.395(13) . ?
C185 C190 1.437(11) . ?
C185 P12 1.822(9) . ?
C186 C187 1.383(12) . ?
C186 H186 0.95 . ?
C187 C188 1.371(12) . ?
C187 H187 0.95 . ?
C188 C189 1.373(14) . ?
C188 H188 0.95 . ?
C189 C190 1.354(12) . ?
C189 H189 0.95 . ?
C190 H190 0.95 . ?
N1 P1 1.649(7) . ?
N1 Zn1 1.881(7) . ?
N1 H1A 0.88 . ?
N2 P2 1.660(7) . ?
N2 Zn2 1.893(8) . ?
N2 H2 0.88 . ?
N3 P3 1.642(8) . ?
N3 Zn3 1.894(7) . ?
N3 H3 0.88 . ?
N4 P4 1.668(7) . ?
N4 Zn1 1.887(7) . ?
N4 H4 0.88 . ?
N5 P5 1.663(8) . ?
N5 Zn2 1.895(7) . ?
N5 H5A 0.88 . ?
N6 P6 1.671(8) . ?
N6 Zn3 1.879(6) . ?
N6 H6A 0.88 . ?
N7 P7 1.676(8) . ?
N7 Zn4 1.887(7) . ?
N7 H7A 0.88 . ?
N8 P8 1.659(7) . ?
N8 Zn5 1.899(7) . ?
N8 H8A 0.88 . ?
N9 P9 1.646(8) . ?
N9 Zn6 1.906(7) . ?
N9 H9A 0.88 . ?
N10 P10 1.673(7) . ?
N10 Zn4 1.890(7) . ?
N10 H10 0.88 . ?
N11 P11 1.663(8) . ?
N11 Zn5 1.931(7) . ?
N11 H11G 0.88 . ?
N12 P12 1.665(7) . ?
N12 Zn6 1.889(7) . ?
N12 H12A 0.88 . ?
P1 Co1 2.163(2) . ?
P2 Co3 2.148(3) . ?
P2 Zn2 2.914(2) . ?
P3 Co5 2.158(2) . ?
P4 Co6 2.164(3) . ?
P5 Co2 2.161(2) . ?
P6 Co4 2.155(2) . ?
P7 Co7 2.161(2) . ?
P8 Co9 2.160(3) . ?
P9 Co11 2.169(3) . ?
P9 Zn6 2.917(3) . ?
P10 Co12 2.161(3) . ?
P11 Co8 2.162(2) . ?
P12 Co10 2.164(2) . ?
Co1 Se7 2.3364(15) . ?
Co1 Se6 2.3604(14) . ?
Co1 Se2 2.3644(14) . ?
Co1 Se1 2.3693(15) . ?
Co1 Co6 2.9100(16) . ?
Co1 Co3 2.9494(16) . ?
Co1 Co5 2.9590(16) . ?
Co2 Se3 2.3436(15) . ?
Co2 Se8 2.3507(15) . ?
Co2 Se1 2.3613(14) . ?
Co2 Se2 2.3697(14) . ?
Co2 Co3 2.8742(16) . ?
Co2 Co6 2.9579(16) . ?
Co2 Co4 2.9691(16) . ?
Co3 Se2 2.3383(15) . ?
Co3 Se7 2.3401(13) . ?
Co3 Se4 2.3520(15) . ?
Co3 Se3 2.3726(13) . ?
Co3 Co5 2.9820(16) . ?
Co4 Se8 2.3401(15) . ?
Co4 Se5 2.3404(14) . ?
Co4 Se3 2.3564(14) . ?
Co4 Se4 2.3767(14) . ?
Co4 Co5 2.8703(14) . ?
Co4 Co6 2.9554(16) . ?
Co5 Se4 2.3389(14) . ?
Co5 Se6 2.3399(14) . ?
Co5 Se7 2.3579(14) . ?
Co5 Se5 2.3670(14) . ?
Co5 Co6 2.9934(16) . ?
Co6 Se8 2.3474(12) . ?
Co6 Se1 2.3501(15) . ?
Co6 Se5 2.3632(15) . ?
Co6 Se6 2.3846(13) . ?
Co7 Se14 2.3482(16) . ?
Co7 Se15 2.3545(15) . ?
Co7 Se10 2.3595(15) . ?
Co7 Se9 2.3714(14) . ?
Co7 Co12 2.8721(17) . ?
Co7 Co9 2.9435(16) . ?
Co7 Co11 2.9678(17) . ?
Co8 Se16 2.3394(15) . ?
Co8 Se11 2.3466(15) . ?
Co8 Se9 2.3621(14) . ?
Co8 Se10 2.3699(14) . ?
Co8 Co9 2.9128(16) . ?
Co8 Co10 2.9319(17) . ?
Co8 Co12 2.9505(16) . ?
Co9 Se15 2.3438(12) . ?
Co9 Se12 2.3495(15) . ?
Co9 Se10 2.3514(15) . ?
Co9 Se11 2.3760(13) . ?
Co9 Co11 2.9629(17) . ?
Co10 Se13 2.3398(14) . ?
Co10 Se11 2.3412(14) . ?
Co10 Se16 2.3543(14) . ?
Co10 Se12 2.3727(14) . ?
Co10 Co11 2.8868(15) . ?
Co10 Co12 2.9750(16) . ?
Co11 Se12 2.3432(14) . ?
Co11 Se15 2.3504(16) . ?
Co11 Se14 2.3624(15) . ?
Co11 Se13 2.3777(15) . ?
Co12 Se16 2.3319(13) . ?
Co12 Se9 2.3448(15) . ?
Co12 Se13 2.3602(16) . ?
Co12 Se14 2.3718(13) . ?
Zn1 Se6 2.6597(14) . ?
Zn1 Se1 2.7108(13) . ?
Zn2 Se3 2.6584(15) . ?
Zn2 Se2 2.7332(14) . ?
Zn3 Se4 2.6476(15) . ?
Zn3 Se5 2.7797(15) . ?
Zn4 Se14 2.6643(15) . ?
Zn4 Se9 2.7332(14) . ?
Zn5 Se10 2.6714(14) . ?
Zn5 Se11 2.6886(15) . ?
Zn6 Se13 2.6497(16) . ?
Zn6 Se12 2.7632(16) . ?
