#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:42:28 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180351 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/20/7202021.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_7202021
loop_
_publ_author_name
'Panneerselvam, Arunkumar'
'Malik, Mohammad A.'
'O'Brien, Paul'
'Raftery, James'
_publ_section_title
;
 The CVD of silver sulfide and silver thin films from a homoleptic
 crystalline single-source precursor
;
_journal_issue                   27
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              3264
_journal_paper_doi               10.1039/b802616e
_journal_volume                  18
_journal_year                    2008
_chemical_formula_sum            'C73 H169 Ag6 Cl3 N6 P12 S12'
_chemical_formula_weight         2641.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.7220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.5883(13)
_cell_length_b                   14.0036(7)
_cell_length_c                   33.5098(17)
_cell_measurement_reflns_used    8696
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.979
_cell_measurement_theta_min      2.2155
_cell_volume                     11437.7(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0768
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            98100
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    1.502
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5416
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.004
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1057
_refine_ls_number_reflns         27238
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0156P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                20452
_reflns_number_total             27238
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802616e.txt
_cod_data_source_block           s2765m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7202021
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.918100(12) 0.80617(2) 0.077171(9) 0.02089(7) Uani 1 1 d . . .
Ag2 Ag 0.809444(13) 0.68910(2) 0.123256(9) 0.02194(7) Uani 1 1 d . . .
Ag3 Ag 0.900380(12) 0.90845(2) 0.186441(9) 0.01903(7) Uani 1 1 d . . .
Ag4 Ag 0.659828(12) 0.19274(2) 0.926671(9) 0.01814(7) Uani 1 1 d . . .
Ag5 Ag 0.555148(13) 0.41449(2) 0.892722(9) 0.02038(7) Uani 1 1 d . . .
Ag6 Ag 0.699241(13) 0.34434(2) 0.848128(9) 0.02399(8) Uani 1 1 d . . .
C1 C 0.98961(15) 0.6606(3) 0.00842(11) 0.0180(9) Uani 1 1 d . . .
H1 H 0.9938 0.5954 -0.0024 0.022 Uiso 1 1 calc R . .
C2 C 1.00979(16) 0.6554(3) 0.05621(11) 0.0250(10) Uani 1 1 d . . .
H2A H 1.0477 0.6323 0.0655 0.037 Uiso 1 1 calc R . .
H2B H 0.9865 0.6114 0.0660 0.037 Uiso 1 1 calc R . .
H2C H 1.0081 0.7191 0.0679 0.037 Uiso 1 1 calc R . .
C3 C 1.02632(16) 0.7277(3) -0.00691(13) 0.0279(10) Uani 1 1 d . . .
H3A H 1.0217 0.7932 0.0019 0.042 Uiso 1 1 calc R . .
H3B H 1.0161 0.7250 -0.0375 0.042 Uiso 1 1 calc R . .
H3C H 1.0647 0.7083 0.0051 0.042 Uiso 1 1 calc R . .
C4 C 0.90034(16) 0.6835(3) -0.06874(11) 0.0204(9) Uani 1 1 d . . .
H4 H 0.9267 0.7249 -0.0775 0.024 Uiso 1 1 calc R . .
C5 C 0.9076(2) 0.5813(3) -0.08211(13) 0.0408(13) Uani 1 1 d . . .
H5A H 0.8839 0.5383 -0.0723 0.061 Uiso 1 1 calc R . .
H5B H 0.9460 0.5619 -0.0699 0.061 Uiso 1 1 calc R . .
H5C H 0.8976 0.5781 -0.1127 0.061 Uiso 1 1 calc R . .
C6 C 0.84285(16) 0.7211(3) -0.09010(12) 0.0315(11) Uani 1 1 d . . .
H6A H 0.8348 0.7163 -0.1206 0.047 Uiso 1 1 calc R . .
H6B H 0.8405 0.7880 -0.0823 0.047 Uiso 1 1 calc R . .
H6C H 0.8161 0.6831 -0.0813 0.047 Uiso 1 1 calc R . .
C7 C 0.77843(15) 0.6208(3) 0.01269(12) 0.0219(9) Uani 1 1 d . . .
H7 H 0.7589 0.6008 0.0330 0.026 Uiso 1 1 calc R . .
C8 C 0.76961(17) 0.7276(3) 0.00517(13) 0.0324(11) Uani 1 1 d . . .
H8A H 0.7899 0.7495 -0.0136 0.049 Uiso 1 1 calc R . .
H8B H 0.7828 0.7616 0.0319 0.049 Uiso 1 1 calc R . .
H8C H 0.7304 0.7404 -0.0076 0.049 Uiso 1 1 calc R . .
C9 C 0.75407(17) 0.5643(3) -0.02802(12) 0.0350(12) Uani 1 1 d . . .
H9A H 0.7161 0.5848 -0.0414 0.052 Uiso 1 1 calc R . .
H9B H 0.7546 0.4960 -0.0216 0.052 Uiso 1 1 calc R . .
H9C H 0.7759 0.5761 -0.0470 0.052 Uiso 1 1 calc R . .
C10 C 0.85312(16) 0.4610(3) 0.04253(12) 0.0217(9) Uani 1 1 d . . .
H10 H 0.8409 0.4305 0.0142 0.026 Uiso 1 1 calc R . .
C11 C 0.91233(17) 0.4291(3) 0.06430(14) 0.0314(11) Uani 1 1 d . . .
H11A H 0.9248 0.4558 0.0927 0.047 Uiso 1 1 calc R . .
H11B H 0.9361 0.4518 0.0483 0.047 Uiso 1 1 calc R . .
H11C H 0.9138 0.3592 0.0659 0.047 Uiso 1 1 calc R . .
C12 C 0.81478(17) 0.4260(3) 0.06697(13) 0.0304(11) Uani 1 1 d . . .
H12A H 0.8174 0.3563 0.0698 0.046 Uiso 1 1 calc R . .
H12B H 0.7769 0.4440 0.0518 0.046 Uiso 1 1 calc R . .
H12C H 0.8256 0.4552 0.0949 0.046 Uiso 1 1 calc R . .
C13 C 0.72732(16) 0.5241(3) 0.17894(12) 0.0227(9) Uani 1 1 d . . .
H13 H 0.7214 0.5150 0.2068 0.027 Uiso 1 1 calc R . .
C14 C 0.78827(17) 0.5086(3) 0.18509(13) 0.0288(10) Uani 1 1 d . . .
H14A H 0.7992 0.4457 0.1976 0.043 Uiso 1 1 calc R . .
H14B H 0.8096 0.5582 0.2037 0.043 Uiso 1 1 calc R . .
H14C H 0.7952 0.5120 0.1579 0.043 Uiso 1 1 calc R . .
C15 C 0.69282(19) 0.4488(3) 0.14937(13) 0.0369(12) Uani 1 1 d . . .
H15A H 0.6967 0.4570 0.1214 0.055 Uiso 1 1 calc R . .
H15B H 0.6542 0.4562 0.1479 0.055 Uiso 1 1 calc R . .
H15C H 0.7055 0.3849 0.1599 0.055 Uiso 1 1 calc R . .
C16 C 0.63274(16) 0.6508(3) 0.15730(13) 0.0270(10) Uani 1 1 d . . .
H16 H 0.6130 0.6061 0.1344 0.032 Uiso 1 1 calc R . .
C17 C 0.60974(17) 0.7503(3) 0.14484(14) 0.0388(12) Uani 1 1 d . . .
H17A H 0.5697 0.7486 0.1377 0.058 Uiso 1 1 calc R . .
H17B H 0.6201 0.7721 0.1205 0.058 Uiso 1 1 calc R . .
H17C H 0.6246 0.7944 0.1683 0.058 Uiso 1 1 calc R . .
C18 C 0.62152(17) 0.6176(3) 0.19780(13) 0.0370(12) Uani 1 1 d . . .
H18A H 0.6437 0.6554 0.2215 0.055 Uiso 1 1 calc R . .
H18B H 0.6312 0.5499 0.2027 0.055 Uiso 1 1 calc R . .
H18C H 0.5826 0.6262 0.1950 0.055 Uiso 1 1 calc R . .
C19 C 0.76650(16) 0.9093(3) 0.20116(12) 0.0217(9) Uani 1 1 d . . .
H19 H 0.7994 0.9507 0.2131 0.026 Uiso 1 1 calc R . .
C20 C 0.74709(18) 0.9237(3) 0.15392(13) 0.0361(12) Uani 1 1 d . . .
H20A H 0.7129 0.8881 0.1417 0.054 Uiso 1 1 calc R . .
H20B H 0.7752 0.9004 0.1420 0.054 Uiso 1 1 calc R . .
H20C H 0.7406 0.9918 0.1476 0.054 Uiso 1 1 calc R . .
C21 C 0.72187(17) 0.9408(3) 0.22025(14) 0.0323(11) Uani 1 1 d . . .
H21A H 0.7078 1.0035 0.2091 0.048 Uiso 1 1 calc R . .
H21B H 0.7375 0.9447 0.2508 0.048 Uiso 1 1 calc R . .
H21C H 0.6919 0.8942 0.2131 0.048 Uiso 1 1 calc R . .
C22 C 0.80929(16) 0.7790(3) 0.27123(11) 0.0252(10) Uani 1 1 d . . .
H22 H 0.7768 0.7945 0.2808 0.030 Uiso 1 1 calc R . .
C23 C 0.85398(18) 0.8519(4) 0.29139(13) 0.0470(14) Uani 1 1 d . . .
H23A H 0.8671 0.8415 0.3217 0.070 Uiso 1 1 calc R . .
H23B H 0.8390 0.9165 0.2856 0.070 Uiso 1 1 calc R . .
H23C H 0.8846 0.8443 0.2798 0.070 Uiso 1 1 calc R . .
C24 C 0.82638(18) 0.6776(3) 0.28509(12) 0.0384(13) Uani 1 1 d . . .
H24A H 0.8588 0.6604 0.2769 0.058 Uiso 1 1 calc R . .
H24B H 0.7963 0.6337 0.2717 0.058 Uiso 1 1 calc R . .
H24C H 0.8350 0.6730 0.3156 0.058 Uiso 1 1 calc R . .
C25 C 1.01391(16) 1.1269(3) 0.23988(11) 0.0234(10) Uani 1 1 d . . .
H25 H 1.0407 1.1717 0.2334 0.028 Uiso 1 1 calc R . .
C26 C 1.03676(17) 1.0264(3) 0.24039(12) 0.0301(11) Uani 1 1 d . . .
H26A H 1.0722 1.0219 0.2623 0.045 Uiso 1 1 calc R . .
H26B H 1.0417 1.0123 0.2131 0.045 Uiso 1 1 calc R . .
H26C H 1.0111 0.9803 0.2461 0.045 Uiso 1 1 calc R . .
C27 C 1.00962(17) 1.1542(3) 0.28289(12) 0.0337(11) Uani 1 1 d . . .
H27A H 0.9830 1.1124 0.2899 0.051 Uiso 1 1 calc R . .
H27B H 0.9976 1.2207 0.2824 0.051 Uiso 1 1 calc R . .
H27C H 1.0456 1.1469 0.3040 0.051 Uiso 1 1 calc R . .
C28 C 0.93326(17) 1.2678(3) 0.19798(13) 0.0263(10) Uani 1 1 d . . .
H28 H 0.9314 1.2853 0.2265 0.032 Uiso 1 1 calc R . .
C29 C 0.9786(2) 1.3282(3) 0.18925(15) 0.0456(14) Uani 1 1 d . . .
H29A H 0.9858 1.3048 0.1639 0.068 Uiso 1 1 calc R . .
H29B H 1.0122 1.3234 0.2130 0.068 Uiso 1 1 calc R . .
H29C H 0.9668 1.3951 0.1853 0.068 Uiso 1 1 calc R . .
C30 C 0.87807(19) 1.2905(3) 0.16669(13) 0.0386(12) Uani 1 1 d . . .
H30A H 0.8697 1.3583 0.1686 0.058 Uiso 1 1 calc R . .
H30B H 0.8496 1.2517 0.1729 0.058 Uiso 1 1 calc R . .
H30C H 0.8791 1.2763 0.1383 0.058 Uiso 1 1 calc R . .
C31 C 1.00528(14) 1.0717(3) 0.09522(11) 0.0156(8) Uani 1 1 d . . .
H31 H 0.9990 1.1396 0.0858 0.019 Uiso 1 1 calc R . .
C32 C 1.06171(15) 1.0676(3) 0.12764(12) 0.0261(10) Uani 1 1 d . . .
H32A H 1.0708 1.0013 0.1363 0.039 Uiso 1 1 calc R . .
H32B H 1.0616 1.1059 0.1521 0.039 Uiso 1 1 calc R . .
H32C H 1.0891 1.0931 0.1155 0.039 Uiso 1 1 calc R . .
C33 C 1.00370(16) 1.0124(3) 0.05657(11) 0.0232(9) Uani 1 1 d . . .
H33A H 1.0315 1.0362 0.0444 0.035 Uiso 1 1 calc R . .
H33B H 0.9673 1.0176 0.0359 0.035 Uiso 1 1 calc R . .
H33C H 1.0113 0.9454 0.0647 0.035 Uiso 1 1 calc R . .
C34 C 0.88652(14) 1.0494(3) 0.07706(11) 0.0145(8) Uani 1 1 d . . .
H34 H 0.8883 1.0038 0.0545 0.017 Uiso 1 1 calc R . .
C35 C 0.87768(16) 1.1494(3) 0.05784(12) 0.0203(9) Uani 1 1 d . . .
H35A H 0.8419 1.1523 0.0363 0.030 Uiso 1 1 calc R . .
H35B H 0.9066 1.1635 0.0452 0.030 Uiso 1 1 calc R . .
H35C H 0.8789 1.1964 0.0798 0.030 Uiso 1 1 calc R . .
C36 C 0.83782(14) 1.0203(3) 0.09177(11) 0.0206(9) Uani 1 1 d . . .
H36A H 0.8358 1.0625 0.1146 0.031 Uiso 1 1 calc R . .
H36B H 0.8426 0.9542 0.1018 0.031 Uiso 1 1 calc R . .
H36C H 0.8039 1.0256 0.0684 0.031 Uiso 1 1 calc R . .
C37 C 0.62802(16) 0.0045(3) 1.01055(12) 0.0203(9) Uani 1 1 d . . .
H37 H 0.6017 -0.0063 1.0269 0.024 Uiso 1 1 calc R . .
C38 C 0.59491(17) -0.0005(3) 0.96431(12) 0.0278(10) Uani 1 1 d . . .
H38A H 0.6199 0.0023 0.9472 0.042 Uiso 1 1 calc R . .
H38B H 0.5694 0.0535 0.9573 0.042 Uiso 1 1 calc R . .
H38C H 0.5742 -0.0604 0.9588 0.042 Uiso 1 1 calc R . .
C39 C 0.67054(18) -0.0760(3) 1.02233(13) 0.0330(11) Uani 1 1 d . . .
H39A H 0.6523 -0.1375 1.0137 0.049 Uiso 1 1 calc R . .
H39B H 0.6881 -0.0760 1.0527 0.049 Uiso 1 1 calc R . .
H39C H 0.6984 -0.0659 1.0081 0.049 Uiso 1 1 calc R . .
C40 C 0.69065(17) 0.1212(3) 1.08060(11) 0.0263(10) Uani 1 1 d . . .
H40 H 0.7172 0.0667 1.0866 0.032 Uiso 1 1 calc R . .
C41 C 0.7235(2) 0.2122(3) 1.09591(13) 0.0455(14) Uani 1 1 d . . .
H41A H 0.6984 0.2665 1.0924 0.068 Uiso 1 1 calc R . .
H41B H 0.7488 0.2232 1.0795 0.068 Uiso 1 1 calc R . .
H41C H 0.7445 0.2053 1.1256 0.068 Uiso 1 1 calc R . .
C42 C 0.64903(18) 0.1023(4) 1.10436(13) 0.0501(16) Uani 1 1 d . . .
H42A H 0.6674 0.1070 1.1346 0.075 Uiso 1 1 calc R . .
H42B H 0.6336 0.0381 1.0976 0.075 Uiso 1 1 calc R . .
H42C H 0.6195 0.1496 1.0961 0.075 Uiso 1 1 calc R . .
C43 C 0.50324(15) 0.2675(3) 0.98921(12) 0.0187(9) Uani 1 1 d . . .
H43 H 0.5062 0.2772 1.0194 0.022 Uiso 1 1 calc R . .
C44 C 0.47772(17) 0.1689(3) 0.97659(14) 0.0336(11) Uani 1 1 d . . .
H44A H 0.4414 0.1666 0.9806 0.050 Uiso 1 1 calc R . .
H44B H 0.5013 0.1199 0.9940 0.050 Uiso 1 1 calc R . .
H44C H 0.4741 0.1570 0.9471 0.050 Uiso 1 1 calc R . .
C45 C 0.46600(16) 0.3463(3) 0.96424(12) 0.0261(10) Uani 1 1 d . . .
H45A H 0.4660 0.3440 0.9350 0.039 Uiso 1 1 calc R . .
H45B H 0.4796 0.4087 0.9763 0.039 Uiso 1 1 calc R . .
H45C H 0.4286 0.3368 0.9654 0.039 Uiso 1 1 calc R . .
C46 C 0.59736(15) 0.3927(3) 1.00084(11) 0.0174(8) Uani 1 1 d . . .
H46 H 0.5727 0.4388 0.9810 0.021 Uiso 1 1 calc R . .
C47 C 0.59494(18) 0.4148(3) 1.04501(11) 0.0283(10) Uani 1 1 d . . .
H47A H 0.6158 0.3664 1.0646 0.042 Uiso 1 1 calc R . .
H47B H 0.5567 0.4141 1.0450 0.042 Uiso 1 1 calc R . .
H47C H 0.6108 0.4779 1.0537 0.042 Uiso 1 1 calc R . .
C48 C 0.65577(15) 0.4068(3) 0.99838(12) 0.0240(9) Uani 1 1 d . . .
H48A H 0.6686 0.4711 1.0081 0.036 Uiso 1 1 calc R . .
H48B H 0.6558 0.3988 0.9693 0.036 Uiso 1 1 calc R . .
H48C H 0.6802 0.3593 1.0161 0.036 Uiso 1 1 calc R . .
C49 C 0.47872(16) 0.7290(3) 0.83023(12) 0.0214(9) Uani 1 1 d . . .
H49 H 0.4988 0.7870 0.8253 0.026 Uiso 1 1 calc R . .
C50 C 0.43491(16) 0.7623(3) 0.84971(12) 0.0262(10) Uani 1 1 d . . .
H50A H 0.4096 0.8064 0.8305 0.039 Uiso 1 1 calc R . .
H50B H 0.4526 0.7949 0.8763 0.039 Uiso 1 1 calc R . .
H50C H 0.4144 0.7069 0.8548 0.039 Uiso 1 1 calc R . .
C51 C 0.45266(17) 0.6812(3) 0.78775(12) 0.0310(11) Uani 1 1 d . . .
H51A H 0.4323 0.6245 0.7915 0.046 Uiso 1 1 calc R . .
H51B H 0.4815 0.6624 0.7756 0.046 Uiso 1 1 calc R . .
H51C H 0.4276 0.7261 0.7689 0.046 Uiso 1 1 calc R . .
C52 C 0.56460(16) 0.7149(3) 0.91115(12) 0.0223(9) Uani 1 1 d . . .
H52 H 0.5363 0.7463 0.9217 0.027 Uiso 1 1 calc R . .
C53 C 0.59840(18) 0.6483(3) 0.94547(13) 0.0389(12) Uani 1 1 d . . .
H53A H 0.6234 0.6107 0.9347 0.058 Uiso 1 1 calc R . .
H53B H 0.5738 0.6053 0.9543 0.058 Uiso 1 1 calc R . .
H53C H 0.6197 0.6863 0.9695 0.058 Uiso 1 1 calc R . .
C54 C 0.6007(2) 0.7928(3) 0.90178(15) 0.0534(15) Uani 1 1 d . . .
H54A H 0.6227 0.8221 0.9281 0.080 Uiso 1 1 calc R . .
H54B H 0.5775 0.8416 0.8839 0.080 Uiso 1 1 calc R . .
H54C H 0.6250 0.7649 0.8873 0.080 Uiso 1 1 calc R . .
C55 C 0.66284(14) 0.6086(3) 0.81242(11) 0.0160(8) Uani 1 1 d . . .
H55 H 0.6815 0.5595 0.7999 0.019 Uiso 1 1 calc R . .
C56 C 0.70553(17) 0.6498(3) 0.85047(13) 0.0340(11) Uani 1 1 d . . .
H56A H 0.7354 0.6783 0.8418 0.051 Uiso 1 1 calc R . .
H56B H 0.7202 0.5988 0.8708 0.051 Uiso 1 1 calc R . .
H56C H 0.6885 0.6989 0.8633 0.051 Uiso 1 1 calc R . .
C57 C 0.63981(16) 0.6843(3) 0.77929(12) 0.0251(10) Uani 1 1 d . . .
H57A H 0.6214 0.7339 0.7908 0.038 Uiso 1 1 calc R . .
H57B H 0.6134 0.6550 0.7548 0.038 Uiso 1 1 calc R . .
H57C H 0.6698 0.7131 0.7709 0.038 Uiso 1 1 calc R . .
C58 C 0.56712(15) 0.4874(3) 0.77900(11) 0.0171(8) Uani 1 1 d . . .
H58 H 0.5470 0.5380 0.7592 0.021 Uiso 1 1 calc R . .
C59 C 0.60094(17) 0.4317(3) 0.75620(12) 0.0299(11) Uani 1 1 d . . .
H59A H 0.6214 0.3809 0.7745 0.045 Uiso 1 1 calc R . .
H59B H 0.6267 0.4751 0.7489 0.045 Uiso 1 1 calc R . .
H59C H 0.5764 0.4034 0.7306 0.045 Uiso 1 1 calc R . .
C60 C 0.52358(17) 0.4225(3) 0.78738(12) 0.0284(10) Uani 1 1 d . . .
H60A H 0.5020 0.3924 0.7611 0.043 Uiso 1 1 calc R . .
H60B H 0.4993 0.4606 0.7988 0.043 Uiso 1 1 calc R . .
H60C H 0.5415 0.3731 0.8076 0.043 Uiso 1 1 calc R . .
C61 C 0.75343(15) 0.2111(3) 0.75548(11) 0.0198(9) Uani 1 1 d . . .
H61 H 0.7661 0.1466 0.7496 0.024 Uiso 1 1 calc R . .
C62 C 0.69262(16) 0.2030(3) 0.75081(12) 0.0309(11) Uani 1 1 d . . .
H62A H 0.6777 0.2667 0.7527 0.046 Uiso 1 1 calc R . .
H62B H 0.6876 0.1625 0.7732 0.046 Uiso 1 1 calc R . .
H62C H 0.6734 0.1746 0.7235 0.046 Uiso 1 1 calc R . .
C63 C 0.76284(18) 0.2803(3) 0.72268(12) 0.0319(11) Uani 1 1 d . . .
H63A H 0.7395 0.2619 0.6947 0.048 Uiso 1 1 calc R . .
H63B H 0.8014 0.2778 0.7235 0.048 Uiso 1 1 calc R . .
H63C H 0.7536 0.3454 0.7289 0.048 Uiso 1 1 calc R . .
C64 C 0.86503(15) 0.2470(3) 0.80702(11) 0.0199(9) Uani 1 1 d . . .
H64 H 0.8677 0.2983 0.7870 0.024 Uiso 1 1 calc R . .
C65 C 0.90382(16) 0.2733(3) 0.85019(12) 0.0290(10) Uani 1 1 d . . .
H65A H 0.9033 0.2227 0.8702 0.043 Uiso 1 1 calc R . .
H65B H 0.8919 0.3336 0.8595 0.043 Uiso 1 1 calc R . .
H65C H 0.9412 0.2807 0.8485 0.043 Uiso 1 1 calc R . .
C66 C 0.88153(16) 0.1528(3) 0.79125(12) 0.0251(10) Uani 1 1 d . . .
H66A H 0.9211 0.1529 0.7954 0.038 Uiso 1 1 calc R . .
H66B H 0.8618 0.1455 0.7614 0.038 Uiso 1 1 calc R . .
H66C H 0.8722 0.0997 0.8069 0.038 Uiso 1 1 calc R . .
C67 C 0.75482(17) -0.0076(3) 0.86460(12) 0.0248(10) Uani 1 1 d . . .
H67 H 0.7928 -0.0327 0.8694 0.030 Uiso 1 1 calc R . .
C68 C 0.73166(18) -0.0554(3) 0.89675(14) 0.0360(12) Uani 1 1 d . . .
H68A H 0.6946 -0.0314 0.8932 0.054 Uiso 1 1 calc R . .
H68B H 0.7553 -0.0407 0.9251 0.054 Uiso 1 1 calc R . .
H68C H 0.7303 -0.1247 0.8925 0.054 Uiso 1 1 calc R . .
C69 C 0.72143(18) -0.0336(3) 0.81992(13) 0.0338(11) Uani 1 1 d . . .
H69A H 0.7217 -0.1030 0.8164 0.051 Uiso 1 1 calc R . .
H69B H 0.7376 -0.0029 0.8002 0.051 Uiso 1 1 calc R . .
H69C H 0.6836 -0.0115 0.8145 0.051 Uiso 1 1 calc R . .
C70 C 0.80047(16) 0.1449(3) 0.92496(11) 0.0207(9) Uani 1 1 d . . .
H70 H 0.7797 0.1186 0.9434 0.025 Uiso 1 1 calc R . .
C71 C 0.80827(16) 0.2515(3) 0.93388(12) 0.0249(10) Uani 1 1 d . . .
H71A H 0.8282 0.2613 0.9636 0.037 Uiso 1 1 calc R . .
H71B H 0.7723 0.2827 0.9271 0.037 Uiso 1 1 calc R . .
H71C H 0.8293 0.2791 0.9167 0.037 Uiso 1 1 calc R . .
C72 C 0.85566(16) 0.0928(3) 0.93586(12) 0.0275(10) Uani 1 1 d . . .
H72A H 0.8751 0.1113 0.9159 0.041 Uiso 1 1 calc R . .
H72B H 0.8494 0.0237 0.9343 0.041 Uiso 1 1 calc R . .
H72C H 0.8779 0.1102 0.9643 0.041 Uiso 1 1 calc R . .
C73 C 0.53354(19) 0.0709(3) 0.84451(13) 0.0358(12) Uani 1 1 d . . .
H73 H 0.5626 0.0893 0.8709 0.043 Uiso 1 1 calc R . .
Cl1 Cl 0.56156(5) -0.01080(9) 0.81732(4) 0.0493(3) Uani 1 1 d . . .
Cl2 Cl 0.47855(6) 0.01911(9) 0.85797(4) 0.0544(4) Uani 1 1 d . . .
Cl3 Cl 0.51181(6) 0.17406(8) 0.81452(3) 0.0429(3) Uani 1 1 d . . .
N1 N 0.88309(12) 0.6101(2) 0.00239(9) 0.0152(7) Uani 1 1 d . . .
N2 N 0.73624(12) 0.7171(2) 0.19816(9) 0.0148(7) Uani 1 1 d . . .
N3 N 0.95652(12) 1.1201(2) 0.15381(9) 0.0159(7) Uani 1 1 d . . .
N4 N 0.60750(12) 0.1969(2) 1.01669(9) 0.0159(7) Uani 1 1 d . . .
N5 N 0.57165(12) 0.6283(2) 0.83889(9) 0.0143(7) Uani 1 1 d . . .
N6 N 0.79087(12) 0.1597(2) 0.83964(9) 0.0186(7) Uani 1 1 d . . .
P1 P 0.91705(4) 0.69204(7) -0.01157(3) 0.0147(2) Uani 1 1 d . . .
P2 P 0.85062(4) 0.59001(7) 0.03500(3) 0.0155(2) Uani 1 1 d . . .
P3 P 0.70553(4) 0.64550(7) 0.16167(3) 0.0173(2) Uani 1 1 d . . .
P4 P 0.78694(4) 0.78624(7) 0.21425(3) 0.0144(2) Uani 1 1 d . . .
P5 P 0.94856(4) 1.14055(7) 0.19837(3) 0.0167(2) Uani 1 1 d . . .
P6 P 0.95175(4) 1.04129(7) 0.11915(3) 0.0128(2) Uani 1 1 d . . .
P7 P 0.65715(4) 0.12358(7) 1.02429(3) 0.0160(2) Uani 1 1 d . . .
P8 P 0.57237(4) 0.27256(7) 0.98494(3) 0.0136(2) Uani 1 1 d . . .
P9 P 0.52899(4) 0.64848(7) 0.86380(3) 0.0167(2) Uani 1 1 d . . .
P10 P 0.60759(4) 0.54859(7) 0.82661(3) 0.0132(2) Uani 1 1 d . . .
P11 P 0.79429(4) 0.24413(8) 0.80859(3) 0.0178(2) Uani 1 1 d . . .
P12 P 0.75986(4) 0.12222(7) 0.87068(3) 0.0169(2) Uani 1 1 d . . .
S1 S 0.90675(4) 0.82924(7) 0.00198(3) 0.0216(2) Uani 1 1 d . . .
S2 S 0.88268(4) 0.64825(7) 0.09333(3) 0.0181(2) Uani 1 1 d . . .
S3 S 0.71050(4) 0.66629(8) 0.10336(3) 0.0258(2) Uani 1 1 d . . .
S4 S 0.85463(4) 0.75707(7) 0.19567(3) 0.0167(2) Uani 1 1 d . . .
S5 S 0.88976(4) 1.06820(7) 0.21430(3) 0.0228(2) Uani 1 1 d . . .
S6 S 0.96223(4) 0.90279(7) 0.13995(3) 0.0149(2) Uani 1 1 d . . .
S7 S 0.71635(4) 0.14669(8) 0.99728(3) 0.0211(2) Uani 1 1 d . . .
S8 S 0.56582(4) 0.25245(7) 0.92297(3) 0.0155(2) Uani 1 1 d . . .
S9 S 0.48659(4) 0.54038(7) 0.87918(3) 0.0223(2) Uani 1 1 d . . .
S10 S 0.64139(4) 0.45366(7) 0.87325(3) 0.0187(2) Uani 1 1 d . . .
S11 S 0.77514(4) 0.37864(7) 0.82089(3) 0.0255(2) Uani 1 1 d . . .
S12 S 0.68113(4) 0.17170(7) 0.86035(3) 0.0191(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
S6 Ag1 S1 132.84(3) . . ?
S6 Ag1 S2 113.62(3) . . ?
S1 Ag1 S2 113.42(3) . . ?
S3 Ag2 S2 135.99(4) . . ?
S3 Ag2 S4 116.41(3) . . ?
S2 Ag2 S4 107.28(3) . . ?
S5 Ag3 S4 127.95(3) . . ?
S5 Ag3 S6 114.91(3) . . ?
S4 Ag3 S6 117.07(3) . . ?
S7 Ag4 S12 127.70(3) . . ?
S7 Ag4 S8 114.15(3) . . ?
S12 Ag4 S8 117.82(3) . . ?
S9 Ag5 S8 136.67(3) . . ?
S9 Ag5 S10 115.39(3) . . ?
S8 Ag5 S10 107.92(3) . . ?
S11 Ag6 S10 129.84(4) . . ?
S11 Ag6 S12 117.27(3) . . ?
S10 Ag6 S12 112.56(3) . . ?
C3 C1 C2 109.6(3) . . ?
C3 C1 P1 112.9(3) . . ?
C2 C1 P1 112.2(3) . . ?
C3 C1 H1 107.3 . . ?
C2 C1 H1 107.3 . . ?
P1 C1 H1 107.3 . . ?
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 . . ?
C6 C4 C5 111.9(3) . . ?
C6 C4 P1 110.7(3) . . ?
C5 C4 P1 110.9(3) . . ?
C6 C4 H4 107.7 . . ?
C5 C4 H4 107.7 . . ?
P1 C4 H4 107.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C9 111.1(3) . . ?
C8 C7 P2 112.4(3) . . ?
C9 C7 P2 109.2(3) . . ?
C8 C7 H7 108.0 . . ?
C9 C7 H7 108.0 . . ?
P2 C7 H7 108.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C12 110.6(3) . . ?
C11 C10 P2 110.0(3) . . ?
C12 C10 P2 112.9(3) . . ?
C11 C10 H10 107.7 . . ?
C12 C10 H10 107.7 . . ?
P2 C10 H10 107.7 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C15 110.8(3) . . ?
C14 C13 P3 112.1(3) . . ?
C15 C13 P3 112.1(3) . . ?
C14 C13 H13 107.2 . . ?
C15 C13 H13 107.2 . . ?
P3 C13 H13 107.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 111.0(3) . . ?
C17 C16 P3 111.1(3) . . ?
C18 C16 P3 112.1(3) . . ?
C17 C16 H16 107.5 . . ?
C18 C16 H16 107.5 . . ?
P3 C16 H16 107.5 . . ?
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 C21 110.3(3) . . ?
C20 C19 P4 110.9(3) . . ?
C21 C19 P4 111.6(3) . . ?
C20 C19 H19 108.0 . . ?
C21 C19 H19 108.0 . . ?
P4 C19 H19 108.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 112.5(4) . . ?
C24 C22 P4 110.0(3) . . ?
C23 C22 P4 112.3(3) . . ?
C24 C22 H22 107.2 . . ?
C23 C22 H22 107.2 . . ?
P4 C22 H22 107.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C27 111.0(3) . . ?
C26 C25 P5 111.4(3) . . ?
C27 C25 P5 112.3(3) . . ?
C26 C25 H25 107.3 . . ?
C27 C25 H25 107.3 . . ?
P5 C25 H25 107.3 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 C28 C29 110.6(4) . . ?
C30 C28 P5 111.3(3) . . ?
C29 C28 P5 111.5(3) . . ?
C30 C28 H28 107.7 . . ?
C29 C28 H28 107.7 . . ?
P5 C28 H28 107.7 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C33 111.1(3) . . ?
C32 C31 P6 110.6(2) . . ?
C33 C31 P6 114.4(3) . . ?
C32 C31 H31 106.8 . . ?
C33 C31 H31 106.8 . . ?
P6 C31 H31 106.8 . . ?
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 . . ?
C36 C34 C35 110.4(3) . . ?
C36 C34 P6 112.1(2) . . ?
C35 C34 P6 111.4(3) . . ?
C36 C34 H34 107.6 . . ?
C35 C34 H34 107.6 . . ?
P6 C34 H34 107.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C39 111.1(3) . . ?
C38 C37 P7 110.8(3) . . ?
C39 C37 P7 113.8(3) . . ?
C38 C37 H37 106.9 . . ?
C39 C37 H37 106.9 . . ?
P7 C37 H37 106.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C42 111.6(4) . . ?
C41 C40 P7 111.8(3) . . ?
C42 C40 P7 111.0(3) . . ?
C41 C40 H40 107.4 . . ?
C42 C40 H40 107.4 . . ?
P7 C40 H40 107.4 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C45 C43 C44 110.9(3) . . ?
C45 C43 P8 112.8(3) . . ?
C44 C43 P8 110.9(3) . . ?
C45 C43 H43 107.3 . . ?
C44 C43 H43 107.3 . . ?
P8 C43 H43 107.3 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C48 110.7(3) . . ?
C47 C46 P8 110.8(3) . . ?
C48 C46 P8 111.3(3) . . ?
C47 C46 H46 108.0 . . ?
C48 C46 H46 108.0 . . ?
P8 C46 H46 108.0 . . ?
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 . . ?
C51 C49 C50 111.2(3) . . ?
C51 C49 P9 109.2(3) . . ?
C50 C49 P9 113.4(3) . . ?
C51 C49 H49 107.6 . . ?
C50 C49 H49 107.6 . . ?
P9 C49 H49 107.6 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C54 C52 C53 110.7(4) . . ?
C54 C52 P9 111.1(3) . . ?
C53 C52 P9 111.2(3) . . ?
C54 C52 H52 107.9 . . ?
C53 C52 H52 107.9 . . ?
P9 C52 H52 107.9 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 C57 111.6(3) . . ?
C56 C55 P10 111.8(3) . . ?
C57 C55 P10 110.6(3) . . ?
C56 C55 H55 107.5 . . ?
C57 C55 H55 107.5 . . ?
P10 C55 H55 107.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C60 C58 C59 110.1(3) . . ?
C60 C58 P10 111.6(3) . . ?
C59 C58 P10 114.7(3) . . ?
C60 C58 H58 106.6 . . ?
C59 C58 H58 106.6 . . ?
P10 C58 H58 106.6 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C63 110.6(3) . . ?
C62 C61 P11 112.6(3) . . ?
C63 C61 P11 111.6(3) . . ?
C62 C61 H61 107.3 . . ?
C63 C61 H61 107.3 . . ?
P11 C61 H61 107.3 . . ?
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 . . ?
C66 C64 C65 111.6(3) . . ?
C66 C64 P11 111.8(3) . . ?
C65 C64 P11 110.0(3) . . ?
C66 C64 H64 107.8 . . ?
C65 C64 H64 107.8 . . ?
P11 C64 H64 107.8 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C69 C67 C68 111.4(3) . . ?
C69 C67 P12 110.2(3) . . ?
C68 C67 P12 112.6(3) . . ?
C69 C67 H67 107.4 . . ?
C68 C67 H67 107.4 . . ?
P12 C67 H67 107.4 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 C72 111.3(3) . . ?
C71 C70 P12 111.5(3) . . ?
C72 C70 P12 111.0(3) . . ?
C71 C70 H70 107.6 . . ?
C72 C70 H70 107.6 . . ?
P12 C70 H70 107.6 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
Cl1 C73 Cl3 110.5(2) . . ?
Cl1 C73 Cl2 110.5(2) . . ?
Cl3 C73 Cl2 110.4(3) . . ?
Cl1 C73 H73 108.4 . . ?
Cl3 C73 H73 108.4 . . ?
Cl2 C73 H73 108.4 . . ?
P2 N1 P1 141.0(2) . . ?
P4 N2 P3 144.3(2) . . ?
P6 N3 P5 144.2(2) . . ?
P8 N4 P7 143.6(2) . . ?
P10 N5 P9 144.2(2) . . ?
P12 N6 P11 144.6(2) . . ?
N1 P1 C1 107.64(17) . . ?
N1 P1 C4 106.54(17) . . ?
C1 P1 C4 104.78(17) . . ?
N1 P1 S1 120.09(12) . . ?
C1 P1 S1 109.66(13) . . ?
C4 P1 S1 107.07(13) . . ?
N1 P2 C7 110.72(17) . . ?
N1 P2 C10 105.49(16) . . ?
C7 P2 C10 106.26(18) . . ?
N1 P2 S2 116.49(12) . . ?
C7 P2 S2 111.07(13) . . ?
C10 P2 S2 106.03(13) . . ?
N2 P3 C16 106.81(17) . . ?
N2 P3 C13 108.12(17) . . ?
C16 P3 C13 105.60(19) . . ?
N2 P3 S3 119.43(12) . . ?
C16 P3 S3 106.27(14) . . ?
C13 P3 S3 109.74(13) . . ?
N2 P4 C19 110.72(17) . . ?
N2 P4 C22 106.70(17) . . ?
C19 P4 C22 106.37(19) . . ?
N2 P4 S4 117.18(12) . . ?
C19 P4 S4 108.85(13) . . ?
C22 P4 S4 106.40(14) . . ?
N3 P5 C28 104.91(17) . . ?
N3 P5 C25 110.21(17) . . ?
C28 P5 C25 104.60(19) . . ?
N3 P5 S5 118.47(12) . . ?
C28 P5 S5 108.48(14) . . ?
C25 P5 S5 109.20(14) . . ?
N3 P6 C34 111.80(17) . . ?
N3 P6 C31 104.97(16) . . ?
C34 P6 C31 105.99(16) . . ?
N3 P6 S6 115.99(12) . . ?
C34 P6 S6 108.32(12) . . ?
C31 P6 S6 109.25(13) . . ?
N4 P7 C40 106.16(17) . . ?
N4 P7 C37 107.67(17) . . ?
C40 P7 C37 105.79(19) . . ?
N4 P7 S7 119.83(12) . . ?
C40 P7 S7 106.72(14) . . ?
C37 P7 S7 109.79(13) . . ?
N4 P8 C43 106.82(17) . . ?
N4 P8 C46 110.28(17) . . ?
C43 P8 C46 106.04(17) . . ?
N4 P8 S8 116.46(12) . . ?
C43 P8 S8 107.01(13) . . ?
C46 P8 S8 109.65(12) . . ?
N5 P9 C49 104.76(16) . . ?
N5 P9 C52 107.84(17) . . ?
C49 P9 C52 107.07(18) . . ?
N5 P9 S9 120.63(12) . . ?
C49 P9 S9 106.80(14) . . ?
C52 P9 S9 108.97(14) . . ?
N5 P10 C55 107.51(17) . . ?
N5 P10 C58 109.79(17) . . ?
C55 P10 C58 105.41(17) . . ?
N5 P10 S10 114.03(12) . . ?
C55 P10 S10 108.59(13) . . ?
C58 P10 S10 111.07(13) . . ?
N6 P11 C64 106.66(17) . . ?
N6 P11 C61 108.60(18) . . ?
C64 P11 C61 104.81(17) . . ?
N6 P11 S11 119.55(12) . . ?
C64 P11 S11 106.83(14) . . ?
C61 P11 S11 109.40(13) . . ?
N6 P12 C70 110.52(18) . . ?
N6 P12 C67 106.85(17) . . ?
C70 P12 C67 106.44(18) . . ?
N6 P12 S12 116.11(12) . . ?
C70 P12 S12 109.88(13) . . ?
C67 P12 S12 106.48(14) . . ?
P1 S1 Ag1 97.05(5) . . ?
P2 S2 Ag2 110.51(5) . . ?
P2 S2 Ag1 102.19(5) . . ?
Ag2 S2 Ag1 104.73(4) . . ?
P3 S3 Ag2 96.92(5) . . ?
P4 S4 Ag3 109.94(5) . . ?
P4 S4 Ag2 100.61(5) . . ?
Ag3 S4 Ag2 107.22(4) . . ?
P5 S5 Ag3 100.26(5) . . ?
P6 S6 Ag1 104.50(5) . . ?
P6 S6 Ag3 97.91(4) . . ?
Ag1 S6 Ag3 109.37(4) . . ?
P7 S7 Ag4 99.93(5) . . ?
P8 S8 Ag5 104.74(5) . . ?
P8 S8 Ag4 102.34(5) . . ?
Ag5 S8 Ag4 108.11(4) . . ?
P9 S9 Ag5 100.26(5) . . ?
P10 S10 Ag6 107.73(5) . . ?
P10 S10 Ag5 97.98(5) . . ?
Ag6 S10 Ag5 127.98(4) . . ?
P11 S11 Ag6 99.41(5) . . ?
P12 S12 Ag4 111.27(5) . . ?
P12 S12 Ag6 97.55(5) . . ?
Ag4 S12 Ag6 97.71(3) . . ?
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
Ag1 S6 2.4667(10) . ?
Ag1 S1 2.4681(10) . ?
Ag1 S2 2.5108(10) . ?
Ag2 S3 2.4350(11) . ?
Ag2 S2 2.4471(10) . ?
Ag2 S4 2.5343(10) . ?
Ag3 S5 2.4708(11) . ?
Ag3 S4 2.4859(10) . ?
Ag3 S6 2.5375(9) . ?
Ag4 S7 2.4542(10) . ?
Ag4 S12 2.4619(10) . ?
Ag4 S8 2.5139(10) . ?
Ag5 S9 2.4305(10) . ?
Ag5 S8 2.4662(10) . ?
Ag5 S10 2.5442(10) . ?
Ag6 S11 2.4320(11) . ?
Ag6 S10 2.4501(10) . ?
Ag6 S12 2.5185(11) . ?
C1 C3 1.525(5) . ?
C1 C2 1.527(5) . ?
C1 P1 1.826(4) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C6 1.521(5) . ?
C4 C5 1.528(5) . ?
C4 P1 1.835(4) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.522(5) . ?
C7 C9 1.536(5) . ?
C7 P2 1.821(4) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.534(5) . ?
C10 C12 1.537(5) . ?
C10 P2 1.823(4) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.525(5) . ?
C13 C15 1.530(5) . ?
C13 P3 1.828(4) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.521(6) . ?
C16 C18 1.542(5) . ?
C16 P3 1.825(4) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.521(5) . ?
C19 C21 1.534(5) . ?
C19 P4 1.815(4) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.517(6) . ?
C22 C23 1.528(5) . ?
C22 P4 1.821(4) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.522(5) . ?
C25 C27 1.527(5) . ?
C25 P5 1.831(4) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.515(6) . ?
C28 C29 1.535(6) . ?
C28 P5 1.823(4) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.521(5) . ?
C31 C33 1.528(5) . ?
C31 P6 1.835(3) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.528(5) . ?
C34 C35 1.529(5) . ?
C34 P6 1.832(4) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.525(5) . ?
C37 C39 1.532(5) . ?
C37 P7 1.827(4) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.527(6) . ?
C40 C42 1.535(5) . ?
C40 P7 1.820(4) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C45 1.530(5) . ?
C43 C44 1.531(5) . ?
C43 P8 1.819(4) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.531(5) . ?
C46 C48 1.534(5) . ?
C46 P8 1.821(4) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.530(5) . ?
C49 C50 1.532(5) . ?
C49 P9 1.820(4) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C54 1.522(6) . ?
C52 C53 1.528(5) . ?
C52 P9 1.825(4) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.518(5) . ?
C55 C57 1.519(5) . ?
C55 P10 1.828(4) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C60 1.528(5) . ?
C58 C59 1.531(5) . ?
C58 P10 1.829(4) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.520(5) . ?
C61 C63 1.539(5) . ?
C61 P11 1.828(4) . ?
C61 H61 1.0000 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C66 1.527(5) . ?
C64 C65 1.530(5) . ?
C64 P11 1.827(4) . ?
C64 H64 1.0000 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C69 1.525(5) . ?
C67 C68 1.532(5) . ?
C67 P12 1.830(4) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.523(5) . ?
C70 C72 1.531(5) . ?
C70 P12 1.827(4) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 Cl1 1.747(4) . ?
C73 Cl3 1.751(4) . ?
C73 Cl2 1.760(5) . ?
C73 H73 1.0000 . ?
N1 P2 1.586(3) . ?
N1 P1 1.594(3) . ?
N2 P4 1.577(3) . ?
N2 P3 1.592(3) . ?
N3 P6 1.580(3) . ?
N3 P5 1.593(3) . ?
N4 P8 1.575(3) . ?
N4 P7 1.592(3) . ?
N5 P10 1.578(3) . ?
N5 P9 1.589(3) . ?
N6 P12 1.578(3) . ?
N6 P11 1.594(3) . ?
P1 S1 2.0101(14) . ?
P2 S2 2.0452(13) . ?
P3 S3 2.0175(14) . ?
P4 S4 2.0521(13) . ?
P5 S5 2.0160(14) . ?
P6 S6 2.0508(13) . ?
P7 S7 2.0130(14) . ?
P8 S8 2.0512(13) . ?
P9 S9 2.0186(14) . ?
P10 S10 2.0335(13) . ?
P11 S11 2.0202(15) . ?
P12 S12 2.0576(14) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 N1 P1 C1 105.1(3) . . . . ?
P2 N1 P1 C4 -142.9(3) . . . . ?
P2 N1 P1 S1 -21.2(4) . . . . ?
C3 C1 P1 N1 173.6(3) . . . . ?
C2 C1 P1 N1 -61.9(3) . . . . ?
C3 C1 P1 C4 60.5(3) . . . . ?
C2 C1 P1 C4 -175.0(3) . . . . ?
C3 C1 P1 S1 -54.2(3) . . . . ?
C2 C1 P1 S1 70.4(3) . . . . ?
C6 C4 P1 N1 73.9(3) . . . . ?
C5 C4 P1 N1 -50.9(3) . . . . ?
C6 C4 P1 C1 -172.2(3) . . . . ?
C5 C4 P1 C1 63.0(3) . . . . ?
C6 C4 P1 S1 -55.8(3) . . . . ?
C5 C4 P1 S1 179.4(3) . . . . ?
P1 N1 P2 C7 90.9(3) . . . . ?
P1 N1 P2 C10 -154.5(3) . . . . ?
P1 N1 P2 S2 -37.2(4) . . . . ?
C8 C7 P2 N1 -66.8(3) . . . . ?
C9 C7 P2 N1 57.0(3) . . . . ?
C8 C7 P2 C10 179.1(3) . . . . ?
C9 C7 P2 C10 -57.1(3) . . . . ?
C8 C7 P2 S2 64.3(3) . . . . ?
C9 C7 P2 S2 -172.0(2) . . . . ?
C11 C10 P2 N1 66.5(3) . . . . ?
C12 C10 P2 N1 -169.4(3) . . . . ?
C11 C10 P2 C7 -175.9(3) . . . . ?
C12 C10 P2 C7 -51.8(3) . . . . ?
C11 C10 P2 S2 -57.6(3) . . . . ?
C12 C10 P2 S2 66.4(3) . . . . ?
P4 N2 P3 C16 -149.5(3) . . . . ?
P4 N2 P3 C13 97.3(4) . . . . ?
P4 N2 P3 S3 -29.1(4) . . . . ?
C17 C16 P3 N2 62.6(3) . . . . ?
C18 C16 P3 N2 -62.2(3) . . . . ?
C17 C16 P3 C13 177.5(3) . . . . ?
C18 C16 P3 C13 52.8(3) . . . . ?
C17 C16 P3 S3 -65.9(3) . . . . ?
C18 C16 P3 S3 169.3(3) . . . . ?
C14 C13 P3 N2 -64.7(3) . . . . ?
C15 C13 P3 N2 170.1(3) . . . . ?
C14 C13 P3 C16 -178.7(3) . . . . ?
C15 C13 P3 C16 56.0(3) . . . . ?
C14 C13 P3 S3 67.1(3) . . . . ?
C15 C13 P3 S3 -58.1(3) . . . . ?
P3 N2 P4 C19 99.1(4) . . . . ?
P3 N2 P4 C22 -145.6(3) . . . . ?
P3 N2 P4 S4 -26.5(4) . . . . ?
C20 C19 P4 N2 -64.6(3) . . . . ?
C21 C19 P4 N2 58.8(3) . . . . ?
C20 C19 P4 C22 179.8(3) . . . . ?
C21 C19 P4 C22 -56.8(3) . . . . ?
C20 C19 P4 S4 65.6(3) . . . . ?
C21 C19 P4 S4 -171.1(3) . . . . ?
C24 C22 P4 N2 60.9(3) . . . . ?
C23 C22 P4 N2 -173.0(3) . . . . ?
C24 C22 P4 C19 179.1(3) . . . . ?
C23 C22 P4 C19 -54.7(4) . . . . ?
C24 C22 P4 S4 -65.0(3) . . . . ?
C23 C22 P4 S4 61.2(3) . . . . ?
P6 N3 P5 C28 -152.3(4) . . . . ?
P6 N3 P5 C25 95.6(4) . . . . ?
P6 N3 P5 S5 -31.2(4) . . . . ?
C30 C28 P5 N3 67.4(3) . . . . ?
C29 C28 P5 N3 -56.7(3) . . . . ?
C30 C28 P5 C25 -176.6(3) . . . . ?
C29 C28 P5 C25 59.4(3) . . . . ?
C30 C28 P5 S5 -60.1(3) . . . . ?
C29 C28 P5 S5 175.8(3) . . . . ?
C26 C25 P5 N3 -59.8(3) . . . . ?
C27 C25 P5 N3 175.0(3) . . . . ?
C26 C25 P5 C28 -172.1(3) . . . . ?
C27 C25 P5 C28 62.7(3) . . . . ?
C26 C25 P5 S5 72.0(3) . . . . ?
C27 C25 P5 S5 -53.2(3) . . . . ?
P5 N3 P6 C34 96.7(4) . . . . ?
P5 N3 P6 C31 -148.9(3) . . . . ?
P5 N3 P6 S6 -28.2(4) . . . . ?
C36 C34 P6 N3 -69.4(3) . . . . ?
C35 C34 P6 N3 54.9(3) . . . . ?
C36 C34 P6 C31 176.8(3) . . . . ?
C35 C34 P6 C31 -58.9(3) . . . . ?
C36 C34 P6 S6 59.6(3) . . . . ?
C35 C34 P6 S6 -176.1(2) . . . . ?
C32 C31 P6 N3 61.3(3) . . . . ?
C33 C31 P6 N3 -172.3(3) . . . . ?
C32 C31 P6 C34 179.8(3) . . . . ?
C33 C31 P6 C34 -53.9(3) . . . . ?
C32 C31 P6 S6 -63.7(3) . . . . ?
C33 C31 P6 S6 62.6(3) . . . . ?
P8 N4 P7 C40 147.5(3) . . . . ?
P8 N4 P7 C37 -99.6(4) . . . . ?
P8 N4 P7 S7 26.7(4) . . . . ?
C41 C40 P7 N4 -73.3(3) . . . . ?
C42 C40 P7 N4 52.0(4) . . . . ?
C41 C40 P7 C37 172.5(3) . . . . ?
C42 C40 P7 C37 -62.2(3) . . . . ?
C41 C40 P7 S7 55.6(3) . . . . ?
C42 C40 P7 S7 -179.1(3) . . . . ?
C38 C37 P7 N4 62.6(3) . . . . ?
C39 C37 P7 N4 -171.4(3) . . . . ?
C38 C37 P7 C40 175.7(3) . . . . ?
C39 C37 P7 C40 -58.3(3) . . . . ?
C38 C37 P7 S7 -69.5(3) . . . . ?
C39 C37 P7 S7 56.5(3) . . . . ?
P7 N4 P8 C43 147.2(3) . . . . ?
P7 N4 P8 C46 -98.0(4) . . . . ?
P7 N4 P8 S8 27.7(4) . . . . ?
C45 C43 P8 N4 172.6(3) . . . . ?
C44 C43 P8 N4 -62.3(3) . . . . ?
C45 C43 P8 C46 54.9(3) . . . . ?
C44 C43 P8 C46 -179.9(3) . . . . ?
C45 C43 P8 S8 -62.1(3) . . . . ?
C44 C43 P8 S8 63.1(3) . . . . ?
C47 C46 P8 N4 -58.5(3) . . . . ?
C48 C46 P8 N4 65.1(3) . . . . ?
C47 C46 P8 C43 56.7(3) . . . . ?
C48 C46 P8 C43 -179.7(3) . . . . ?
C47 C46 P8 S8 172.0(2) . . . . ?
C48 C46 P8 S8 -64.4(3) . . . . ?
P10 N5 P9 C49 -139.3(3) . . . . ?
P10 N5 P9 C52 106.9(4) . . . . ?
P10 N5 P9 S9 -19.1(4) . . . . ?
C51 C49 P9 N5 58.6(3) . . . . ?
C50 C49 P9 N5 -176.8(3) . . . . ?
C51 C49 P9 C52 172.9(3) . . . . ?
C50 C49 P9 C52 -62.5(3) . . . . ?
C51 C49 P9 S9 -70.5(3) . . . . ?
C50 C49 P9 S9 54.1(3) . . . . ?
C54 C52 P9 N5 43.2(4) . . . . ?
C53 C52 P9 N5 -80.5(3) . . . . ?
C54 C52 P9 C49 -69.1(3) . . . . ?
C53 C52 P9 C49 167.2(3) . . . . ?
C54 C52 P9 S9 175.8(3) . . . . ?
C53 C52 P9 S9 52.0(3) . . . . ?
P9 N5 P10 C55 -158.9(3) . . . . ?
P9 N5 P10 C58 86.9(4) . . . . ?
P9 N5 P10 S10 -38.5(4) . . . . ?
C56 C55 P10 N5 72.1(3) . . . . ?
C57 C55 P10 N5 -53.0(3) . . . . ?
C56 C55 P10 C58 -170.8(3) . . . . ?
C57 C55 P10 C58 64.1(3) . . . . ?
C56 C55 P10 S10 -51.8(3) . . . . ?
C57 C55 P10 S10 -176.9(2) . . . . ?
C60 C58 P10 N5 -72.2(3) . . . . ?
C59 C58 P10 N5 161.7(3) . . . . ?
C60 C58 P10 C55 172.3(3) . . . . ?
C59 C58 P10 C55 46.2(3) . . . . ?
C60 C58 P10 S10 54.9(3) . . . . ?
C59 C58 P10 S10 -71.2(3) . . . . ?
P12 N6 P11 C64 152.9(4) . . . . ?
P12 N6 P11 C61 -94.6(4) . . . . ?
P12 N6 P11 S11 31.8(4) . . . . ?
C66 C64 P11 N6 60.0(3) . . . . ?
C65 C64 P11 N6 -64.5(3) . . . . ?
C66 C64 P11 C61 -55.1(3) . . . . ?
C65 C64 P11 C61 -179.6(3) . . . . ?
C66 C64 P11 S11 -171.1(2) . . . . ?
C65 C64 P11 S11 64.4(3) . . . . ?
C62 C61 P11 N6 65.1(3) . . . . ?
C63 C61 P11 N6 -169.9(3) . . . . ?
C62 C61 P11 C64 178.8(3) . . . . ?
C63 C61 P11 C64 -56.2(3) . . . . ?
C62 C61 P11 S11 -66.9(3) . . . . ?
C63 C61 P11 S11 58.1(3) . . . . ?
P11 N6 P12 C70 -101.4(4) . . . . ?
P11 N6 P12 C67 143.2(4) . . . . ?
P11 N6 P12 S12 24.6(4) . . . . ?
C71 C70 P12 N6 63.6(3) . . . . ?
C72 C70 P12 N6 -61.1(3) . . . . ?
C71 C70 P12 C67 179.3(3) . . . . ?
C72 C70 P12 C67 54.5(3) . . . . ?
C71 C70 P12 S12 -65.8(3) . . . . ?
C72 C70 P12 S12 169.5(2) . . . . ?
C69 C67 P12 N6 -61.8(3) . . . . ?
C68 C67 P12 N6 173.1(3) . . . . ?
C69 C67 P12 C70 -179.9(3) . . . . ?
C68 C67 P12 C70 55.0(3) . . . . ?
C69 C67 P12 S12 62.9(3) . . . . ?
C68 C67 P12 S12 -62.2(3) . . . . ?
N1 P1 S1 Ag1 50.13(14) . . . . ?
C1 P1 S1 Ag1 -75.24(13) . . . . ?
C4 P1 S1 Ag1 171.61(13) . . . . ?
S6 Ag1 S1 P1 142.33(5) . . . . ?
S2 Ag1 S1 P1 -33.29(6) . . . . ?
N1 P2 S2 Ag2 148.09(13) . . . . ?
C7 P2 S2 Ag2 20.09(15) . . . . ?
C10 P2 S2 Ag2 -94.93(14) . . . . ?
N1 P2 S2 Ag1 37.08(14) . . . . ?
C7 P2 S2 Ag1 -90.92(14) . . . . ?
C10 P2 S2 Ag1 154.06(13) . . . . ?
S3 Ag2 S2 P2 5.94(8) . . . . ?
S4 Ag2 S2 P2 178.89(5) . . . . ?
S3 Ag2 S2 Ag1 115.30(5) . . . . ?
S4 Ag2 S2 Ag1 -71.75(4) . . . . ?
S6 Ag1 S2 P2 -179.42(4) . . . . ?
S1 Ag1 S2 P2 -2.93(6) . . . . ?
S6 Ag1 S2 Ag2 65.27(4) . . . . ?
S1 Ag1 S2 Ag2 -118.23(4) . . . . ?
N2 P3 S3 Ag2 47.75(14) . . . . ?
C16 P3 S3 Ag2 168.45(15) . . . . ?
C13 P3 S3 Ag2 -77.83(14) . . . . ?
S2 Ag2 S3 P3 144.05(5) . . . . ?
S4 Ag2 S3 P3 -28.43(6) . . . . ?
N2 P4 S4 Ag3 146.21(13) . . . . ?
C19 P4 S4 Ag3 19.67(15) . . . . ?
C22 P4 S4 Ag3 -94.59(15) . . . . ?
N2 P4 S4 Ag2 33.36(14) . . . . ?
C19 P4 S4 Ag2 -93.18(14) . . . . ?
C22 P4 S4 Ag2 152.56(14) . . . . ?
S5 Ag3 S4 P4 18.10(7) . . . . ?
S6 Ag3 S4 P4 -158.55(5) . . . . ?
S5 Ag3 S4 Ag2 126.61(4) . . . . ?
S6 Ag3 S4 Ag2 -50.04(5) . . . . ?
S3 Ag2 S4 P4 -5.72(6) . . . . ?
S2 Ag2 S4 P4 179.74(5) . . . . ?
S3 Ag2 S4 Ag3 -120.63(4) . . . . ?
S2 Ag2 S4 Ag3 64.83(4) . . . . ?
N3 P5 S5 Ag3 40.09(14) . . . . ?
C28 P5 S5 Ag3 159.42(14) . . . . ?
C25 P5 S5 Ag3 -87.14(14) . . . . ?
S4 Ag3 S5 P5 172.65(5) . . . . ?
S6 Ag3 S5 P5 -10.64(6) . . . . ?
N3 P6 S6 Ag1 159.16(13) . . . . ?
C34 P6 S6 Ag1 32.53(13) . . . . ?
C31 P6 S6 Ag1 -82.50(13) . . . . ?
N3 P6 S6 Ag3 46.72(14) . . . . ?
C34 P6 S6 Ag3 -79.91(12) . . . . ?
C31 P6 S6 Ag3 165.06(12) . . . . ?
S1 Ag1 S6 P6 31.78(7) . . . . ?
S2 Ag1 S6 P6 -152.61(4) . . . . ?
S1 Ag1 S6 Ag3 135.76(4) . . . . ?
S2 Ag1 S6 Ag3 -48.62(5) . . . . ?
S5 Ag3 S6 P6 -26.50(5) . . . . ?
S4 Ag3 S6 P6 150.59(4) . . . . ?
S5 Ag3 S6 Ag1 -134.97(4) . . . . ?
S4 Ag3 S6 Ag1 42.11(5) . . . . ?
N4 P7 S7 Ag4 -43.82(14) . . . . ?
C40 P7 S7 Ag4 -164.30(14) . . . . ?
C37 P7 S7 Ag4 81.50(14) . . . . ?
S12 Ag4 S7 P7 -151.47(5) . . . . ?
S8 Ag4 S7 P7 21.79(6) . . . . ?
N4 P8 S8 Ag5 -150.33(13) . . . . ?
C43 P8 S8 Ag5 90.32(13) . . . . ?
C46 P8 S8 Ag5 -24.26(14) . . . . ?
N4 P8 S8 Ag4 -37.59(14) . . . . ?
C43 P8 S8 Ag4 -156.94(13) . . . . ?
C46 P8 S8 Ag4 88.48(13) . . . . ?
S9 Ag5 S8 P8 -66.58(7) . . . . ?
S10 Ag5 S8 P8 111.80(5) . . . . ?
S9 Ag5 S8 Ag4 -175.15(4) . . . . ?
S10 Ag5 S8 Ag4 3.23(4) . . . . ?
S7 Ag4 S8 P8 12.59(6) . . . . ?
S12 Ag4 S8 P8 -173.43(4) . . . . ?
S7 Ag4 S8 Ag5 122.80(4) . . . . ?
S12 Ag4 S8 Ag5 -63.22(5) . . . . ?
N5 P9 S9 Ag5 34.94(15) . . . . ?
C49 P9 S9 Ag5 154.15(13) . . . . ?
C52 P9 S9 Ag5 -90.51(14) . . . . ?
S8 Ag5 S9 P9 169.77(5) . . . . ?
S10 Ag5 S9 P9 -8.52(6) . . . . ?
N5 P10 S10 Ag6 -176.56(13) . . . . ?
C55 P10 S10 Ag6 -56.72(14) . . . . ?
C58 P10 S10 Ag6 58.75(14) . . . . ?
N5 P10 S10 Ag5 49.24(13) . . . . ?
C55 P10 S10 Ag5 169.09(13) . . . . ?
C58 P10 S10 Ag5 -75.45(13) . . . . ?
S11 Ag6 S10 P10 55.79(7) . . . . ?
S12 Ag6 S10 P10 -131.20(5) . . . . ?
S11 Ag6 S10 Ag5 171.54(4) . . . . ?
S12 Ag6 S10 Ag5 -15.45(6) . . . . ?
S9 Ag5 S10 P10 -27.82(6) . . . . ?
S8 Ag5 S10 P10 153.41(4) . . . . ?
S9 Ag5 S10 Ag6 -147.79(5) . . . . ?
S8 Ag5 S10 Ag6 33.44(6) . . . . ?
N6 P11 S11 Ag6 -37.53(15) . . . . ?
C64 P11 S11 Ag6 -158.58(13) . . . . ?
C61 P11 S11 Ag6 88.50(14) . . . . ?
S10 Ag6 S11 P11 -179.40(5) . . . . ?
S12 Ag6 S11 P11 7.86(6) . . . . ?
N6 P12 S12 Ag4 -145.49(14) . . . . ?
C70 P12 S12 Ag4 -19.16(15) . . . . ?
C67 P12 S12 Ag4 95.72(14) . . . . ?
N6 P12 S12 Ag6 -44.14(14) . . . . ?
C70 P12 S12 Ag6 82.19(14) . . . . ?
C67 P12 S12 Ag6 -162.93(14) . . . . ?
S7 Ag4 S12 P12 -6.84(8) . . . . ?
S8 Ag4 S12 P12 -179.89(5) . . . . ?
S7 Ag4 S12 Ag6 -108.08(4) . . . . ?
S8 Ag4 S12 Ag6 78.87(4) . . . . ?
S11 Ag6 S12 P12 27.26(6) . . . . ?
S10 Ag6 S12 P12 -146.70(4) . . . . ?
S11 Ag6 S12 Ag4 140.05(4) . . . . ?
S10 Ag6 S12 Ag4 -33.92(4) . . . . ?
