#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:29:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180081 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/27/7052730.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_7052730
loop_
_publ_author_name
'Ahmar, Siawash'
'Nitschke, Christian'
'Vijayaratnam, Niranjan'
'MacDonald, Daniel G.'
'Fenske, Dieter'
'Corrigan, John F.'
_publ_section_title
;
 A ferrocenylmethylselenolate complex of Ag(i): preparation of the
 polyferrocenyl cluster [Ag8(SeCH2Fc)8(PPh3)4] from the new silylated
 reagent FcCH2SeSiMe3
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2013
_journal_paper_doi               10.1039/c1nj20183b
_journal_volume                  35
_journal_year                    2011
_chemical_formula_sum            'C169 H157 Ag8 Cl27 Fe8 P4 Se8'
_chemical_formula_weight         5210.42
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 130.4630(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.8840(6)
_cell_length_b                   44.2400(7)
_cell_length_c                   22.0150(5)
_cell_measurement_reflns_used    88895
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.04
_cell_volume                     22144.1(8)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Collect'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_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      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω scans + omega to complete'
_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  0.1081
_diffrn_reflns_av_sigmaI/netI    0.1052
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_k_min       -57
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            83259
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    2.906
_exptl_absorpt_correction_T_max  0.5303
_exptl_absorpt_correction_T_min  0.2745
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             10184
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.902
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     994
_refine_ls_number_reflns         25385
_refine_ls_number_restraints     105
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.1537
_refine_ls_R_factor_gt           0.0791
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1657P)²+38.3641P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2319
_refine_ls_wR_factor_ref         0.2922
_reflns_number_gt                13578
_reflns_number_total             25385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1nj20183b.txt
_cod_data_source_block           08030b
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7052730
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.61410(3) 0.075270(16) 0.44104(5) 0.0488(2) Uani 1 1 d . . .
Ag2 Ag 0.51341(3) 0.113127(15) 0.18021(4) 0.0448(2) Uani 1 1 d . . .
Ag3 Ag 0.59369(3) 0.171687(16) 0.22575(5) 0.0457(2) Uani 1 1 d . . .
Ag4 Ag 0.58766(3) 0.134607(15) 0.34345(4) 0.0433(2) Uani 1 1 d . . .
Se1 Se 0.59109(4) 0.07837(2) 0.30328(6) 0.0434(2) Uani 1 1 d . . .
Se2 Se 0.46421(4) 0.08548(2) 0.04460(6) 0.0479(3) Uani 1 1 d . . .
Se3 Se 0.67661(4) 0.16503(2) 0.37864(6) 0.0439(2) Uani 1 1 d . . .
Se4 Se 0.52003(4) 0.170258(19) 0.35201(6) 0.0412(2) Uani 1 1 d . . .
P1 P 0.71418(12) 0.05687(6) 0.55212(18) 0.0523(7) Uani 1 1 d . . .
P2 P 0.61413(13) 0.18755(6) 0.13752(17) 0.0505(7) Uani 1 1 d . . .
Fe1 Fe 0.74541(7) 0.07231(3) 0.28499(10) 0.0538(4) Uani 1 1 d . . .
Fe2 Fe 0.50470(6) -0.02046(3) 0.12807(8) 0.0477(4) Uani 1 1 d . . .
Fe3 Fe 0.62386(6) 0.27038(3) 0.37375(9) 0.0468(4) Uani 1 1 d . . .
Fe4 Fe 0.66845(7) 0.16721(3) 0.64241(9) 0.0554(4) Uani 1 1 d . . .
C1 C 0.6785(4) 0.0651(2) 0.2862(6) 0.044(2) Uani 1 1 d . . .
C2 C 0.7191(6) 0.0404(2) 0.3240(8) 0.065(3) Uani 1 1 d . . .
H2A H 0.7402 0.0340 0.3776 0.078 Uiso 1 1 calc R . .
C3 C 0.7226(7) 0.0272(3) 0.2694(11) 0.082(4) Uani 1 1 d . . .
H3A H 0.7469 0.0107 0.2791 0.098 Uiso 1 1 calc R . .
C4 C 0.6833(7) 0.0432(4) 0.1974(10) 0.091(5) Uani 1 1 d . . .
H4A H 0.6760 0.0388 0.1494 0.109 Uiso 1 1 calc R . .
C5 C 0.6558(5) 0.0671(3) 0.2066(7) 0.060(3) Uani 1 1 d . . .
H5A H 0.6280 0.0813 0.1674 0.073 Uiso 1 1 calc R . .
C6 C 0.7900(5) 0.1092(3) 0.3545(8) 0.068(3) Uani 1 1 d . . .
H6A H 0.7831 0.1197 0.3853 0.082 Uiso 1 1 calc R . .
C7 C 0.8267(5) 0.0857(3) 0.3796(8) 0.076(4) Uani 1 1 d . . .
H7A H 0.8503 0.0770 0.4314 0.092 Uiso 1 1 calc R . .
C8 C 0.8248(5) 0.0758(3) 0.3158(10) 0.074(4) Uani 1 1 d . . .
H8A H 0.8459 0.0594 0.3174 0.089 Uiso 1 1 calc R . .
C9 C 0.7868(7) 0.0946(3) 0.2522(10) 0.083(4) Uani 1 1 d . . .
H9A H 0.7776 0.0938 0.2021 0.100 Uiso 1 1 calc R . .
C10 C 0.7635(6) 0.1155(3) 0.2748(9) 0.071(4) Uani 1 1 d . . .
H10A H 0.7353 0.1308 0.2420 0.085 Uiso 1 1 calc R . .
C11 C 0.6663(5) 0.0868(3) 0.3254(7) 0.059(3) Uani 1 1 d . . .
H11A H 0.6645 0.1075 0.3067 0.071 Uiso 1 1 calc R . .
H11B H 0.6992 0.0862 0.3838 0.071 Uiso 1 1 calc R . .
C12 C 0.4725(5) 0.0210(2) 0.0769(6) 0.052(3) Uani 1 1 d . . .
C13 C 0.4583(5) 0.0136(3) 0.1272(7) 0.058(3) Uani 1 1 d . . .
H13A H 0.4701 0.0246 0.1726 0.069 Uiso 1 1 calc R . .
C14 C 0.4232(6) -0.0135(3) 0.0953(8) 0.074(4) Uani 1 1 d . . .
H14A H 0.4075 -0.0236 0.1159 0.089 Uiso 1 1 calc R . .
C15 C 0.4167(5) -0.0217(2) 0.0325(7) 0.055(3) Uani 1 1 d . . .
H15A H 0.3956 -0.0391 0.0011 0.066 Uiso 1 1 calc R . .
C16 C 0.4458(4) -0.0010(2) 0.0175(6) 0.048(2) Uani 1 1 d . . .
H16A H 0.4467 -0.0021 -0.0249 0.057 Uiso 1 1 calc R . .
C17 C 0.5914(5) -0.0200(3) 0.1806(7) 0.065(3) Uani 1 1 d . . .
H17A H 0.6099 -0.0048 0.1732 0.078 Uiso 1 1 calc R . .
C18 C 0.5857(5) -0.0199(2) 0.2389(6) 0.056(3) Uani 1 1 d . . .
H18A H 0.5996 -0.0046 0.2778 0.067 Uiso 1 1 calc R . .
C19 C 0.5565(5) -0.0459(3) 0.2305(6) 0.062(3) Uani 1 1 d . . .
H19A H 0.5472 -0.0513 0.2630 0.075 Uiso 1 1 calc R . .
C20 C 0.5427(5) -0.0626(3) 0.1674(7) 0.063(3) Uani 1 1 d . . .
H20A H 0.5223 -0.0813 0.1486 0.076 Uiso 1 1 calc R . .
C21 C 0.5652(5) -0.0463(3) 0.1352(7) 0.060(3) Uani 1 1 d . . .
H21A H 0.5626 -0.0523 0.0916 0.072 Uiso 1 1 calc R . .
C22 C 0.5097(4) 0.0465(2) 0.0899(7) 0.059(3) Uani 1 1 d . . .
H22A H 0.5267 0.0418 0.0645 0.071 Uiso 1 1 calc R . .
H22B H 0.5426 0.0490 0.1479 0.071 Uiso 1 1 calc R . .
C23 C 0.6502(4) 0.2292(2) 0.3636(6) 0.043(2) Uani 1 1 d . . .
C24 C 0.5925(5) 0.2363(2) 0.2931(6) 0.054(3) Uani 1 1 d . . .
H24A H 0.5584 0.2245 0.2708 0.065 Uiso 1 1 calc R . .
C25 C 0.5941(5) 0.2641(2) 0.2609(7) 0.055(3) Uani 1 1 d . . .
H25A H 0.5617 0.2742 0.2142 0.066 Uiso 1 1 calc R . .
C26 C 0.6542(5) 0.2735(2) 0.3131(7) 0.059(3) Uani 1 1 d . . .
H26A H 0.6689 0.2912 0.3068 0.071 Uiso 1 1 calc R . .
C27 C 0.6878(4) 0.2525(2) 0.3749(6) 0.049(2) Uani 1 1 d . . .
H27A H 0.7290 0.2537 0.4177 0.059 Uiso 1 1 calc R . .
C28 C 0.6393(5) 0.2705(2) 0.4779(7) 0.056(3) Uani 1 1 d . . .
H28A H 0.6632 0.2563 0.5199 0.068 Uiso 1 1 calc R . .
C29 C 0.5807(5) 0.2674(3) 0.4161(7) 0.065(3) Uani 1 1 d . . .
H29A H 0.5567 0.2510 0.4078 0.079 Uiso 1 1 calc R . .
C30 C 0.5612(5) 0.2938(2) 0.3648(7) 0.054(3) Uani 1 1 d . . .
H30A H 0.5226 0.2979 0.3166 0.065 Uiso 1 1 calc R . .
C31 C 0.6109(5) 0.3117(2) 0.4011(7) 0.059(3) Uani 1 1 d . . .
H31A H 0.6116 0.3307 0.3814 0.070 Uiso 1 1 calc R . .
C32 C 0.6593(5) 0.2979(2) 0.4701(7) 0.060(3) Uani 1 1 d . . .
H32A H 0.6984 0.3054 0.5055 0.072 Uiso 1 1 calc R . .
C33 C 0.6657(5) 0.2031(2) 0.4158(6) 0.051(3) Uani 1 1 d . . .
H33A H 0.6342 0.2000 0.4185 0.061 Uiso 1 1 calc R . .
H33B H 0.7025 0.2076 0.4704 0.061 Uiso 1 1 calc R . .
C34 C 0.6158(4) 0.1743(2) 0.5221(6) 0.043(2) Uani 1 1 d . . .
C35 C 0.6624(5) 0.1538(3) 0.5490(7) 0.059(3) Uani 1 1 d . . .
H35A H 0.6569 0.1336 0.5305 0.071 Uiso 1 1 calc R . .
C36 C 0.7180(6) 0.1676(3) 0.6071(8) 0.070(3) Uani 1 1 d . . .
H36A H 0.7556 0.1589 0.6335 0.084 Uiso 1 1 calc R . .
C37 C 0.7052(5) 0.1984(3) 0.6177(7) 0.059(3) Uani 1 1 d . . .
H37A H 0.7332 0.2132 0.6540 0.070 Uiso 1 1 calc R . .
C38 C 0.6439(5) 0.2017(2) 0.5643(6) 0.055(3) Uani 1 1 d . . .
H38A H 0.6239 0.2198 0.5572 0.066 Uiso 1 1 calc R . .
C39 C 0.6511(7) 0.1303(3) 0.6809(8) 0.082(4) Uani 1 1 d . . .
H39A H 0.6390 0.1109 0.6567 0.099 Uiso 1 1 calc R . .
C40 C 0.7104(7) 0.1391(3) 0.7404(8) 0.089(5) Uani 1 1 d . . .
H40A H 0.7441 0.1270 0.7622 0.107 Uiso 1 1 calc R . .
C41 C 0.7105(8) 0.1695(4) 0.7616(8) 0.101(6) Uani 1 1 d . . .
H41A H 0.7436 0.1817 0.8001 0.122 Uiso 1 1 calc R . .
C42 C 0.6528(9) 0.1770(4) 0.7147(10) 0.099(5) Uani 1 1 d . . .
H42A H 0.6401 0.1964 0.7166 0.118 Uiso 1 1 calc R . .
C43 C 0.6125(7) 0.1537(3) 0.6622(8) 0.080(4) Uani 1 1 d . . .
H43A H 0.5707 0.1540 0.6247 0.096 Uiso 1 1 calc R . .
C44 C 0.5537(4) 0.1683(2) 0.4658(6) 0.048(2) Uani 1 1 d . . .
H44A H 0.5332 0.1832 0.4738 0.057 Uiso 1 1 calc R . .
H44B H 0.5463 0.1479 0.4764 0.057 Uiso 1 1 calc R . .
C45 C 0.7731(4) 0.0738(2) 0.5585(6) 0.050(2) Uani 1 1 d . . .
C46 C 0.8231(5) 0.0582(3) 0.5848(8) 0.067(3) Uani 1 1 d . . .
H46A H 0.8283 0.0378 0.6012 0.080 Uiso 1 1 calc R . .
C47 C 0.8655(5) 0.0724(3) 0.5872(9) 0.072(4) Uani 1 1 d . . .
H47A H 0.8989 0.0614 0.6030 0.086 Uiso 1 1 calc R . .
C48 C 0.8596(5) 0.1016(3) 0.5673(7) 0.067(3) Uani 1 1 d . . .
H48A H 0.8895 0.1113 0.5707 0.080 Uiso 1 1 calc R . .
C49 C 0.8084(5) 0.1187(3) 0.5408(7) 0.069(4) Uani 1 1 d . . .
H49A H 0.8044 0.1394 0.5266 0.083 Uiso 1 1 calc R . .
C50 C 0.7662(4) 0.1046(2) 0.5366(6) 0.056(3) Uani 1 1 d . . .
H50A H 0.7321 0.1153 0.5189 0.068 Uiso 1 1 calc R . .
C51 C 0.7234(4) 0.0168(2) 0.5442(7) 0.054(3) Uani 1 1 d . . .
C52 C 0.7063(5) 0.0068(2) 0.4711(7) 0.058(3) Uani 1 1 d . . .
H52A H 0.6896 0.0206 0.4283 0.069 Uiso 1 1 calc R . .
C53 C 0.7139(5) -0.0234(3) 0.4614(8) 0.072(4) Uani 1 1 d . . .
H53A H 0.7025 -0.0303 0.4122 0.086 Uiso 1 1 calc R . .
C54 C 0.7387(6) -0.0437(3) 0.5255(11) 0.095(5) Uani 1 1 d . . .
H54A H 0.7463 -0.0641 0.5208 0.114 Uiso 1 1 calc R . .
C55 C 0.7523(6) -0.0337(3) 0.5966(10) 0.087(4) Uani 1 1 d . . .
H55A H 0.7661 -0.0477 0.6384 0.104 Uiso 1 1 calc R . .
C56 C 0.7454(5) -0.0034(3) 0.6055(8) 0.067(3) Uani 1 1 d . . .
H56A H 0.7558 0.0034 0.6542 0.081 Uiso 1 1 calc R . .
C57 C 0.7394(5) 0.0602(2) 0.6533(7) 0.059(3) Uani 1 1 d . . .
C58 C 0.7003(5) 0.0544(2) 0.6654(7) 0.057(3) Uani 1 1 d . . .
H58A H 0.6606 0.0497 0.6210 0.069 Uiso 1 1 calc R . .
C59 C 0.7178(5) 0.0553(3) 0.7408(7) 0.068(3) Uani 1 1 d . . .
H59A H 0.6911 0.0508 0.7491 0.082 Uiso 1 1 calc R . .
C60 C 0.7763(6) 0.0631(3) 0.8046(7) 0.077(4) Uani 1 1 d . . .
H60A H 0.7894 0.0634 0.8571 0.092 Uiso 1 1 calc R . .
C61 C 0.8159(6) 0.0705(4) 0.7932(9) 0.098(5) Uani 1 1 d . . .
H61A H 0.8551 0.0763 0.8372 0.118 Uiso 1 1 calc R . .
C62 C 0.7979(6) 0.0692(3) 0.7200(8) 0.081(4) Uani 1 1 d . . .
H62A H 0.8245 0.0743 0.7119 0.098 Uiso 1 1 calc R . .
C63 C 0.6822(5) 0.2085(2) 0.1882(7) 0.057(3) Uani 1 1 d . . .
C64 C 0.7280(5) 0.2030(3) 0.2666(7) 0.062(3) Uani 1 1 d . . .
H64A H 0.7234 0.1886 0.2943 0.074 Uiso 1 1 calc R . .
C65 C 0.7802(6) 0.2176(4) 0.3063(9) 0.087(5) Uani 1 1 d . . .
H65A H 0.8120 0.2128 0.3606 0.105 Uiso 1 1 calc R . .
C66 C 0.7871(7) 0.2393(4) 0.2682(10) 0.093(5) Uani 1 1 d . . .
H66A H 0.8237 0.2495 0.2958 0.112 Uiso 1 1 calc R . .
C67 C 0.7424(7) 0.2458(3) 0.1929(10) 0.093(5) Uani 1 1 d . . .
H67A H 0.7463 0.2614 0.1669 0.111 Uiso 1 1 calc R . .
C68 C 0.6910(5) 0.2305(3) 0.1521(8) 0.067(3) Uani 1 1 d . . .
H68A H 0.6602 0.2349 0.0972 0.081 Uiso 1 1 calc R . .
C69 C 0.5594(4) 0.2117(2) 0.0537(7) 0.051(3) Uani 1 1 d . . .
C70 C 0.5369(6) 0.2360(3) 0.0663(8) 0.064(3) Uani 1 1 d . . .
H70A H 0.5508 0.2397 0.1185 0.077 Uiso 1 1 calc R . .
C71 C 0.4961(6) 0.2544(3) 0.0065(9) 0.073(4) Uani 1 1 d . . .
H71A H 0.4819 0.2708 0.0176 0.087 Uiso 1 1 calc R . .
C72 C 0.4751(6) 0.2503(3) -0.0674(9) 0.078(4) Uani 1 1 d . . .
H72A H 0.4459 0.2636 -0.1086 0.093 Uiso 1 1 calc R . .
C73 C 0.4958(6) 0.2263(3) -0.0851(8) 0.084(4) Uani 1 1 d . . .
H73A H 0.4816 0.2234 -0.1377 0.101 Uiso 1 1 calc R . .
C74 C 0.5365(6) 0.2071(3) -0.0252(7) 0.068(3) Uani 1 1 d . . .
H74A H 0.5498 0.1904 -0.0368 0.082 Uiso 1 1 calc R . .
C75 C 0.6199(5) 0.1567(2) 0.0880(6) 0.053(3) Uani 1 1 d . . .
C76 C 0.6626(6) 0.1547(3) 0.0805(8) 0.071(4) Uani 1 1 d . . .
H76A H 0.6912 0.1702 0.1021 0.085 Uiso 1 1 calc R . .
C77 C 0.6640(6) 0.1303(3) 0.0419(9) 0.077(4) Uani 1 1 d . . .
H77A H 0.6924 0.1298 0.0352 0.093 Uiso 1 1 calc R . .
C78 C 0.6253(7) 0.1074(3) 0.0139(8) 0.077(4) Uani 1 1 d . . .
H78A H 0.6272 0.0907 -0.0116 0.093 Uiso 1 1 calc R . .
C79 C 0.5818(6) 0.1076(3) 0.0218(7) 0.068(3) Uani 1 1 d . . .
H79A H 0.5541 0.0917 0.0015 0.081 Uiso 1 1 calc R . .
C80 C 0.5813(5) 0.1321(2) 0.0602(6) 0.054(3) Uani 1 1 d . . .
H80A H 0.5537 0.1324 0.0681 0.064 Uiso 1 1 calc R . .
C1S C 0.8979(13) 0.1750(5) 0.9482(15) 0.28(3) Uani 1 1 d D . .
Cl1 Cl 0.8819(12) 0.1924(6) 0.9985(14) 0.548(18) Uani 1 1 d D . .
Cl2 Cl 0.8699(7) 0.1398(4) 0.9313(13) 0.417(11) Uani 1 1 d D . .
Cl3 Cl 0.8757(8) 0.1901(4) 0.8644(10) 0.395(9) Uani 1 1 d D . .
C2S C 0.8936(16) -0.0169(6) 0.467(3) 0.19(2) Uiso 0.50 1 d PD . .
Cl4 Cl 0.9148(12) 0.0183(7) 0.4775(17) 0.338(14) Uiso 0.50 1 d PD . .
Cl5 Cl 0.9321(9) -0.0485(5) 0.5149(12) 0.235(8) Uiso 0.50 1 d PD . .
Cl6 Cl 0.8506(6) -0.0073(3) 0.4875(8) 0.158(4) Uiso 0.50 1 d PD . .
C3S C 0.7029(7) -0.1270(3) 0.3792(10) 0.167(11) Uani 1 1 d D . .
Cl7 Cl 0.7713(5) -0.1130(3) 0.4544(7) 0.273(5) Uani 1 1 d D . .
Cl8 Cl 0.6932(6) -0.15931(19) 0.4106(6) 0.267(6) Uani 1 1 d D . .
Cl9 Cl 0.6542(4) -0.10005(17) 0.3510(4) 0.225(4) Uani 1 1 d D . .
C4S C 0.9164(7) 0.1433(3) 0.4110(9) 0.120(7) Uani 1 1 d D . .
Cl10 Cl 0.9312(8) 0.1663(2) 0.3675(10) 0.407(11) Uani 1 1 d D . .
Cl11 Cl 0.9155(3) 0.16233(13) 0.4768(4) 0.151(2) Uani 1 1 d D . .
Cl12 Cl 0.9684(3) 0.1166(2) 0.4520(8) 0.331(9) Uani 1 1 d D . .
C5S C 0.9378(13) 0.1133(6) 0.769(2) 0.18(2) Uiso 0.50 1 d PD . .
Cl13 Cl 0.8990(9) 0.1370(5) 0.7766(13) 0.237(8) Uiso 0.50 1 d PD . .
Cl14 Cl 0.9892(8) 0.1298(4) 0.7712(12) 0.211(7) Uiso 0.50 1 d PD . .
Cl15 Cl 0.9658(7) 0.0840(4) 0.8315(10) 0.190(6) Uiso 0.50 1 d PD . .
C6S C 0.4800 0.1556 -0.2617 0.250 Uiso 0.50 1 d P A -1
Cl16 Cl 0.5085 0.1494 -0.3092 0.217(7) Uiso 0.50 1 d P A -1
Cl17 Cl 0.5225 0.1424 -0.1690 0.170(5) Uiso 0.50 1 d P A -1
Cl18 Cl 0.4696 0.1942 -0.2773 0.264(10) Uiso 0.50 1 d P A -1
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
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
P1 Ag1 Se2 123.02(9) . 2_655
P1 Ag1 Se1 113.56(8) . .
Se2 Ag1 Se1 123.16(4) 2_655 .
P1 Ag1 Ag4 123.82(7) . .
Se2 Ag1 Ag4 95.23(3) 2_655 .
Se1 Ag1 Ag4 53.90(3) . .
P1 Ag1 Ag2 166.74(8) . 2_655
Se2 Ag1 Ag2 50.34(3) 2_655 2_655
Se1 Ag1 Ag2 75.27(3) . 2_655
Ag4 Ag1 Ag2 52.31(2) . 2_655
Se2 Ag2 Se1 111.58(4) . .
Se2 Ag2 Se4 107.81(4) . 2_655
Se1 Ag2 Se4 139.72(4) . 2_655
Se2 Ag2 Ag4 101.60(4) . 2_655
Se1 Ag2 Ag4 120.05(4) . 2_655
Se4 Ag2 Ag4 57.63(3) 2_655 2_655
Se2 Ag2 Ag4 167.89(4) . .
Se1 Ag2 Ag4 57.38(3) . .
Se4 Ag2 Ag4 82.58(3) 2_655 .
Ag4 Ag2 Ag4 89.15(3) 2_655 .
Se2 Ag2 Ag3 118.97(4) . .
Se1 Ag2 Ag3 99.70(3) . .
Se4 Ag2 Ag3 52.30(3) 2_655 .
Ag4 Ag2 Ag3 105.89(3) 2_655 .
Ag4 Ag2 Ag3 62.18(2) . .
Se2 Ag2 Ag1 49.67(3) . 2_655
Se1 Ag2 Ag1 108.36(3) . 2_655
Se4 Ag2 Ag1 103.16(3) 2_655 2_655
Ag4 Ag2 Ag1 60.21(2) 2_655 2_655
Ag4 Ag2 Ag1 135.32(3) . 2_655
Ag3 Ag2 Ag1 151.94(3) . 2_655
P2 Ag3 Se3 122.25(8) . .
P2 Ag3 Se4 111.51(8) . 2_655
Se3 Ag3 Se4 125.73(5) . 2_655
P2 Ag3 Ag4 163.38(7) . .
Se3 Ag3 Ag4 52.68(3) . .
Se4 Ag3 Ag4 77.58(3) 2_655 .
P2 Ag3 Ag2 119.70(7) . .
Se3 Ag3 Ag2 101.78(3) . .
Se4 Ag3 Ag2 52.50(3) 2_655 .
Ag4 Ag3 Ag2 53.95(2) . .
Se3 Ag4 Se1 109.21(4) . .
Se3 Ag4 Se4 110.31(4) . .
Se1 Ag4 Se4 140.38(4) . .
Se3 Ag4 Ag2 166.71(4) . 2_655
Se1 Ag4 Ag2 83.88(3) . 2_655
Se4 Ag4 Ag2 56.79(3) . 2_655
Se3 Ag4 Ag2 110.50(4) . .
Se1 Ag4 Ag2 56.32(3) . .
Se4 Ag4 Ag2 106.04(3) . .
Ag2 Ag4 Ag2 78.34(3) 2_655 .
Se3 Ag4 Ag1 118.10(4) . .
Se1 Ag4 Ag1 53.25(3) . .
Se4 Ag4 Ag1 108.12(4) . .
Ag2 Ag4 Ag1 67.48(2) 2_655 .
Ag2 Ag4 Ag1 102.94(3) . .
Se3 Ag4 Ag3 52.27(3) . .
Se1 Ag4 Ag3 100.21(4) . .
Se4 Ag4 Ag3 101.51(3) . .
Ag2 Ag4 Ag3 129.33(3) 2_655 .
Ag2 Ag4 Ag3 63.88(2) . .
Ag1 Ag4 Ag3 150.07(3) . .
C11 Se1 Ag2 104.0(4) . .
C11 Se1 Ag1 108.4(3) . .
Ag2 Se1 Ag1 127.62(4) . .
C11 Se1 Ag4 91.3(3) . .
Ag2 Se1 Ag4 66.30(3) . .
Ag1 Se1 Ag4 72.84(3) . .
C22 Se2 Ag1 99.4(3) . 2_655
C22 Se2 Ag2 97.8(3) . .
Ag1 Se2 Ag2 79.99(4) 2_655 .
C33 Se3 Ag3 99.4(3) . .
C33 Se3 Ag4 98.7(3) . .
Ag3 Se3 Ag4 75.05(3) . .
C44 Se4 Ag3 101.7(3) . 2_655
C44 Se4 Ag2 95.1(3) . 2_655
Ag3 Se4 Ag2 75.19(3) 2_655 2_655
C44 Se4 Ag4 105.9(3) . .
Ag3 Se4 Ag4 133.34(4) 2_655 .
Ag2 Se4 Ag4 65.59(3) 2_655 .
C51 P1 C45 102.0(5) . .
C51 P1 C57 103.1(5) . .
C45 P1 C57 104.9(5) . .
C51 P1 Ag1 112.8(3) . .
C45 P1 Ag1 115.3(3) . .
C57 P1 Ag1 117.0(4) . .
C63 P2 C69 103.6(5) . .
C63 P2 C75 104.4(5) . .
C69 P2 C75 101.9(5) . .
C63 P2 Ag3 114.1(4) . .
C69 P2 Ag3 116.3(4) . .
C75 P2 Ag3 114.9(3) . .
C8 Fe1 C7 42.0(5) . .
C8 Fe1 C6 68.2(5) . .
C7 Fe1 C6 38.8(5) . .
C8 Fe1 C10 67.9(5) . .
C7 Fe1 C10 66.9(5) . .
C6 Fe1 C10 40.5(5) . .
C8 Fe1 C1 163.9(6) . .
C7 Fe1 C1 124.7(5) . .
C6 Fe1 C1 106.6(5) . .
C10 Fe1 C1 118.8(5) . .
C8 Fe1 C4 121.2(6) . .
C7 Fe1 C4 155.8(7) . .
C6 Fe1 C4 165.1(7) . .
C10 Fe1 C4 129.1(7) . .
C1 Fe1 C4 67.4(5) . .
C8 Fe1 C9 39.5(6) . .
C7 Fe1 C9 67.7(6) . .
C6 Fe1 C9 68.1(5) . .
C10 Fe1 C9 40.9(5) . .
C1 Fe1 C9 154.4(6) . .
C4 Fe1 C9 110.9(6) . .
C8 Fe1 C5 154.9(6) . .
C7 Fe1 C5 161.3(6) . .
C6 Fe1 C5 125.7(5) . .
C10 Fe1 C5 108.0(5) . .
C1 Fe1 C5 40.3(4) . .
C4 Fe1 C5 41.0(5) . .
C9 Fe1 C5 121.1(6) . .
C8 Fe1 C2 127.0(6) . .
C7 Fe1 C2 107.7(6) . .
C6 Fe1 C2 118.6(5) . .
C10 Fe1 C2 153.0(5) . .
C1 Fe1 C2 40.8(4) . .
C4 Fe1 C2 66.6(6) . .
C9 Fe1 C2 164.1(6) . .
C5 Fe1 C2 68.2(5) . .
C8 Fe1 C3 108.8(5) . .
C7 Fe1 C3 120.4(6) . .
C6 Fe1 C3 152.3(7) . .
C10 Fe1 C3 166.1(6) . .
C1 Fe1 C3 68.3(5) . .
C4 Fe1 C3 40.0(6) . .
C9 Fe1 C3 128.1(6) . .
C5 Fe1 C3 69.0(5) . .
C2 Fe1 C3 39.8(5) . .
C18 Fe2 C12 114.9(4) . .
C18 Fe2 C13 105.9(4) . .
C12 Fe2 C13 41.8(4) . .
C18 Fe2 C17 40.2(5) . .
C12 Fe2 C17 106.0(5) . .
C13 Fe2 C17 127.2(5) . .
C18 Fe2 C15 165.9(5) . .
C12 Fe2 C15 67.9(4) . .
C13 Fe2 C15 66.2(5) . .
C17 Fe2 C15 153.8(5) . .
C18 Fe2 C16 148.7(5) . .
C12 Fe2 C16 39.8(4) . .
C13 Fe2 C16 67.9(4) . .
C17 Fe2 C16 117.7(5) . .
C15 Fe2 C16 41.3(4) . .
C18 Fe2 C19 39.4(4) . .
C12 Fe2 C19 148.1(4) . .
C13 Fe2 C19 116.0(5) . .
C17 Fe2 C19 66.9(5) . .
C15 Fe2 C19 131.8(5) . .
C16 Fe2 C19 171.3(4) . .
C18 Fe2 C21 67.2(4) . .
C12 Fe2 C21 128.3(5) . .
C13 Fe2 C21 165.9(5) . .
C17 Fe2 C21 39.8(5) . .
C15 Fe2 C21 123.0(5) . .
C16 Fe2 C21 111.0(5) . .
C19 Fe2 C21 67.2(5) . .
C18 Fe2 C20 66.7(4) . .
C12 Fe2 C20 168.9(5) . .
C13 Fe2 C20 149.3(5) . .
C17 Fe2 C20 67.5(5) . .
C15 Fe2 C20 113.5(4) . .
C16 Fe2 C20 133.9(4) . .
C19 Fe2 C20 39.3(4) . .
C21 Fe2 C20 41.1(5) . .
C18 Fe2 C14 129.1(5) . .
C12 Fe2 C14 69.2(5) . .
C13 Fe2 C14 41.0(5) . .
C17 Fe2 C14 166.5(6) . .
C15 Fe2 C14 37.4(5) . .
C16 Fe2 C14 67.3(5) . .
C19 Fe2 C14 110.1(5) . .
C21 Fe2 C14 152.7(5) . .
C20 Fe2 C14 119.2(5) . .
C28 Fe3 C29 39.1(4) . .
C28 Fe3 C30 68.1(5) . .
C29 Fe3 C30 42.1(5) . .
C28 Fe3 C24 128.8(4) . .
C29 Fe3 C24 106.4(5) . .
C30 Fe3 C24 114.8(4) . .
C28 Fe3 C31 67.1(5) . .
C29 Fe3 C31 67.9(5) . .
C30 Fe3 C31 39.9(4) . .
C24 Fe3 C31 148.6(4) . .
C28 Fe3 C25 167.8(4) . .
C29 Fe3 C25 130.2(5) . .
C30 Fe3 C25 107.8(4) . .
C24 Fe3 C25 41.3(4) . .
C31 Fe3 C25 117.7(4) . .
C28 Fe3 C32 40.5(4) . .
C29 Fe3 C32 67.5(5) . .
C30 Fe3 C32 67.8(4) . .
C24 Fe3 C32 168.5(5) . .
C31 Fe3 C32 39.7(4) . .
C25 Fe3 C32 150.0(5) . .
C28 Fe3 C26 150.1(5) . .
C29 Fe3 C26 170.7(5) . .
C30 Fe3 C26 132.2(5) . .
C24 Fe3 C26 68.3(5) . .
C31 Fe3 C26 112.4(5) . .
C25 Fe3 C26 40.8(4) . .
C32 Fe3 C26 119.1(5) . .
C28 Fe3 C27 117.4(5) . .
C29 Fe3 C27 146.5(5) . .
C30 Fe3 C27 171.2(4) . .
C24 Fe3 C27 67.9(4) . .
C31 Fe3 C27 134.0(4) . .
C25 Fe3 C27 68.3(4) . .
C32 Fe3 C27 111.4(4) . .
C26 Fe3 C27 39.8(4) . .
C28 Fe3 C23 107.7(4) . .
C29 Fe3 C23 113.3(4) . .
C30 Fe3 C23 146.6(4) . .
C24 Fe3 C23 40.5(4) . .
C31 Fe3 C23 170.8(4) . .
C25 Fe3 C23 69.0(4) . .
C32 Fe3 C23 131.6(4) . .
C26 Fe3 C23 68.0(4) . .
C27 Fe3 C23 40.6(4) . .
C42 Fe4 C35 165.1(7) . .
C42 Fe4 C34 128.7(6) . .
C35 Fe4 C34 41.0(4) . .
C42 Fe4 C37 121.0(6) . .
C35 Fe4 C37 68.8(5) . .
C34 Fe4 C37 69.3(4) . .
C42 Fe4 C38 111.8(6) . .
C35 Fe4 C38 67.6(5) . .
C34 Fe4 C38 40.8(4) . .
C37 Fe4 C38 40.0(4) . .
C42 Fe4 C41 39.3(7) . .
C35 Fe4 C41 152.7(7) . .
C34 Fe4 C41 165.7(6) . .
C37 Fe4 C41 108.6(6) . .
C38 Fe4 C41 128.9(6) . .
C42 Fe4 C39 65.6(6) . .
C35 Fe4 C39 107.7(5) . .
C34 Fe4 C39 117.9(5) . .
C37 Fe4 C39 165.6(6) . .
C38 Fe4 C39 152.9(5) . .
C41 Fe4 C39 67.6(6) . .
C42 Fe4 C40 65.8(7) . .
C35 Fe4 C40 118.5(6) . .
C34 Fe4 C40 151.7(5) . .
C37 Fe4 C40 128.1(6) . .
C38 Fe4 C40 166.1(5) . .
C41 Fe4 C40 40.4(6) . .
C39 Fe4 C40 40.1(6) . .
C42 Fe4 C43 41.3(6) . .
C35 Fe4 C43 125.1(5) . .
C34 Fe4 C43 105.6(5) . .
C37 Fe4 C43 153.8(5) . .
C38 Fe4 C43 119.6(5) . .
C41 Fe4 C43 69.6(6) . .
C39 Fe4 C43 39.6(5) . .
C40 Fe4 C43 68.4(6) . .
C42 Fe4 C36 154.3(7) . .
C35 Fe4 C36 40.4(4) . .
C34 Fe4 C36 69.5(4) . .
C37 Fe4 C36 41.9(4) . .
C38 Fe4 C36 68.4(5) . .
C41 Fe4 C36 119.1(7) . .
C39 Fe4 C36 126.5(6) . .
C40 Fe4 C36 107.5(6) . .
C43 Fe4 C36 162.3(5) . .
C5 C1 C2 108.3(10) . .
C5 C1 C11 125.3(10) . .
C2 C1 C11 126.2(10) . .
C5 C1 Fe1 70.1(6) . .
C2 C1 Fe1 70.1(6) . .
C11 C1 Fe1 121.1(7) . .
C3 C2 C1 109.0(12) . .
C3 C2 Fe1 70.4(7) . .
C1 C2 Fe1 69.1(6) . .
C2 C3 C4 106.6(12) . .
C2 C3 Fe1 69.9(7) . .
C4 C3 Fe1 69.3(7) . .
C3 C4 C5 110.3(13) . .
C3 C4 Fe1 70.7(8) . .
C5 C4 Fe1 69.8(7) . .
C1 C5 C4 105.8(11) . .
C1 C5 Fe1 69.5(6) . .
C4 C5 Fe1 69.2(7) . .
C7 C6 C10 108.4(12) . .
C7 C6 Fe1 69.6(7) . .
C10 C6 Fe1 69.9(6) . .
C6 C7 C8 109.3(12) . .
C6 C7 Fe1 71.7(7) . .
C8 C7 Fe1 69.0(7) . .
C9 C8 C7 107.2(12) . .
C9 C8 Fe1 71.8(7) . .
C7 C8 Fe1 69.0(7) . .
C8 C9 C10 107.8(14) . .
C8 C9 Fe1 68.8(8) . .
C10 C9 Fe1 69.3(7) . .
C6 C10 C9 107.4(13) . .
C6 C10 Fe1 69.6(7) . .
C9 C10 Fe1 69.8(7) . .
C1 C11 Se1 113.4(7) . .
C16 C12 C13 106.7(10) . .
C16 C12 C22 127.9(11) . .
C13 C12 C22 125.4(10) . .
C16 C12 Fe2 70.6(6) . .
C13 C12 Fe2 69.2(6) . .
C22 C12 Fe2 123.6(7) . .
C14 C13 C12 107.2(10) . .
C14 C13 Fe2 70.5(7) . .
C12 C13 Fe2 69.0(6) . .
C15 C14 C13 107.9(11) . .
C15 C14 Fe2 70.2(7) . .
C13 C14 Fe2 68.5(7) . .
C14 C15 C16 111.4(11) . .
C14 C15 Fe2 72.3(7) . .
C16 C15 Fe2 69.8(6) . .
C12 C16 C15 106.8(10) . .
C12 C16 Fe2 69.5(6) . .
C15 C16 Fe2 68.9(6) . .
C21 C17 C18 108.3(11) . .
C21 C17 Fe2 70.7(7) . .
C18 C17 Fe2 69.8(7) . .
C19 C18 C17 108.5(10) . .
C19 C18 Fe2 70.9(6) . .
C17 C18 Fe2 70.0(6) . .
C18 C19 C20 109.3(11) . .
C18 C19 Fe2 69.7(6) . .
C20 C19 Fe2 70.6(7) . .
C19 C20 C21 107.3(11) . .
C19 C20 Fe2 70.1(6) . .
C21 C20 Fe2 69.4(6) . .
C17 C21 C20 106.7(11) . .
C17 C21 Fe2 69.4(6) . .
C20 C21 Fe2 69.5(6) . .
C12 C22 Se2 112.1(7) . .
C24 C23 C27 107.0(9) . .
C24 C23 C33 124.7(9) . .
C27 C23 C33 128.3(9) . .
C24 C23 Fe3 69.1(5) . .
C27 C23 Fe3 69.6(6) . .
C33 C23 Fe3 124.0(7) . .
C23 C24 C25 108.9(9) . .
C23 C24 Fe3 70.4(5) . .
C25 C24 Fe3 69.6(6) . .
C26 C25 C24 106.2(9) . .
C26 C25 Fe3 69.8(6) . .
C24 C25 Fe3 69.1(6) . .
C27 C26 C25 108.9(9) . .
C27 C26 Fe3 70.2(6) . .
C25 C26 Fe3 69.4(6) . .
C26 C27 C23 109.0(9) . .
C26 C27 Fe3 70.0(6) . .
C23 C27 Fe3 69.9(5) . .
C29 C28 C32 109.8(11) . .
C29 C28 Fe3 70.6(8) . .
C32 C28 Fe3 70.6(7) . .
C28 C29 C30 107.6(10) . .
C28 C29 Fe3 70.3(7) . .
C30 C29 Fe3 69.2(7) . .
C31 C30 C29 105.8(10) . .
C31 C30 Fe3 70.3(6) . .
C29 C30 Fe3 68.7(6) . .
C32 C31 C30 110.0(10) . .
C32 C31 Fe3 70.4(6) . .
C30 C31 Fe3 69.8(6) . .
C31 C32 C28 106.9(10) . .
C31 C32 Fe3 69.9(6) . .
C28 C32 Fe3 68.9(6) . .
C23 C33 Se3 113.3(7) . .
C38 C34 C35 105.4(9) . .
C38 C34 C44 127.2(9) . .
C35 C34 C44 127.4(9) . .
C38 C34 Fe4 69.7(6) . .
C35 C34 Fe4 69.1(6) . .
C44 C34 Fe4 124.6(7) . .
C36 C35 C34 111.0(10) . .
C36 C35 Fe4 71.3(7) . .
C34 C35 Fe4 70.0(6) . .
C35 C36 C37 105.5(10) . .
C35 C36 Fe4 68.3(7) . .
C37 C36 Fe4 68.0(7) . .
C38 C37 C36 107.3(10) . .
C38 C37 Fe4 70.1(6) . .
C36 C37 Fe4 70.1(7) . .
C37 C38 C34 110.7(9) . .
C37 C38 Fe4 69.9(6) . .
C34 C38 Fe4 69.5(6) . .
C43 C39 C40 111.5(12) . .
C43 C39 Fe4 70.8(7) . .
C40 C39 Fe4 70.2(7) . .
C39 C40 C41 107.5(14) . .
C39 C40 Fe4 69.6(7) . .
C41 C40 Fe4 69.2(7) . .
C42 C41 C40 104.5(15) . .
C42 C41 Fe4 67.4(9) . .
C40 C41 Fe4 70.4(8) . .
C41 C42 C43 115.3(16) . .
C41 C42 Fe4 73.3(10) . .
C43 C42 Fe4 72.9(9) . .
C39 C43 C42 101.2(14) . .
C39 C43 Fe4 69.6(8) . .
C42 C43 Fe4 65.8(9) . .
C34 C44 Se4 112.9(7) . .
C46 C45 C50 120.0(10) . .
C46 C45 P1 123.6(8) . .
C50 C45 P1 116.5(8) . .
C47 C46 C45 120.3(10) . .
C48 C47 C46 120.1(11) . .
C47 C48 C49 121.0(10) . .
C50 C49 C48 118.8(10) . .
C49 C50 C45 119.8(10) . .
C56 C51 C52 120.2(11) . .
C56 C51 P1 122.9(10) . .
C52 C51 P1 116.9(8) . .
C53 C52 C51 120.2(11) . .
C52 C53 C54 119.2(14) . .
C53 C54 C55 119.8(14) . .
C56 C55 C54 119.8(13) . .
C51 C56 C55 120.5(14) . .
C58 C57 C62 118.5(12) . .
C58 C57 P1 119.1(9) . .
C62 C57 P1 122.4(10) . .
C57 C58 C59 121.3(11) . .
C58 C59 C60 117.8(13) . .
C59 C60 C61 121.9(13) . .
C62 C61 C60 118.8(13) . .
C61 C62 C57 121.5(13) . .
C64 C63 C68 116.4(11) . .
C64 C63 P2 119.6(9) . .
C68 C63 P2 124.1(10) . .
C63 C64 C65 121.5(12) . .
C64 C65 C66 120.2(14) . .
C67 C66 C65 119.1(14) . .
C66 C67 C68 120.8(15) . .
C67 C68 C63 121.8(14) . .
C70 C69 C74 116.5(11) . .
C70 C69 P2 119.1(9) . .
C74 C69 P2 124.4(9) . .
C71 C70 C69 121.6(12) . .
C72 C71 C70 121.9(12) . .
C71 C72 C73 120.0(12) . .
C74 C73 C72 118.7(13) . .
C73 C74 C69 121.3(12) . .
C76 C75 C80 117.1(10) . .
C76 C75 P2 124.5(8) . .
C80 C75 P2 118.2(8) . .
C77 C76 C75 121.0(11) . .
C78 C77 C76 120.3(12) . .
C77 C78 C79 121.3(12) . .
C80 C79 C78 117.1(12) . .
C79 C80 C75 123.0(11) . .
Cl3 C1S Cl1 119(2) . .
Cl3 C1S Cl2 110.2(16) . .
Cl1 C1S Cl2 105.2(16) . .
Cl4 C2S Cl6 90.7(16) . .
Cl4 C2S Cl5 131(3) . .
Cl6 C2S Cl5 112.0(18) . .
C2S Cl4 Cl6 45.2(9) . .
C2S Cl6 Cl4 44.1(9) . .
Cl9 C3S Cl8 114.7(10) . .
Cl9 C3S Cl7 107.9(9) . .
Cl8 C3S Cl7 109.0(11) . .
Cl10 C4S Cl12 104.0(11) . .
Cl10 C4S Cl11 110.7(9) . .
Cl12 C4S Cl11 114.5(10) . .
Cl13 C5S Cl14 114.3(18) . .
Cl13 C5S Cl15 114.6(19) . .
Cl14 C5S Cl15 110.8(16) . .
Cl14 Cl14 C5S 140(2) 2_756 .
Cl17 C6S Cl18 119.1 . .
Cl17 C6S Cl16 113.544(3) . .
Cl18 C6S Cl16 97.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P1 2.469(3) .
Ag1 Se2 2.5963(14) 2_655
Ag1 Se1 2.6423(14) .
Ag1 Ag4 3.1508(10) .
Ag1 Ag2 3.3539(10) 2_655
Ag2 Se2 2.6217(12) .
Ag2 Se1 2.6327(12) .
Ag2 Se4 2.6401(11) 2_655
Ag2 Ag4 2.8733(11) 2_655
Ag2 Ag4 2.8968(10) .
Ag2 Ag3 3.2171(10) .
Ag2 Ag1 3.3539(10) 2_655
Ag3 P2 2.486(3) .
Ag3 Se3 2.5943(12) .
Ag3 Se4 2.6330(12) 2_655
Ag3 Ag4 3.1690(11) .
Ag4 Se3 2.6086(12) .
Ag4 Se1 2.6645(11) .
Ag4 Se4 2.6650(12) .
Ag4 Ag2 2.8733(11) 2_655
Se1 C11 2.001(11) .
Se2 C22 2.014(10) .
Se2 Ag1 2.5963(14) 2_655
Se3 C33 1.987(9) .
Se4 C44 2.007(10) .
Se4 Ag3 2.6330(12) 2_655
Se4 Ag2 2.6401(11) 2_655
P1 C51 1.820(11) .
P1 C45 1.833(11) .
P1 C57 1.836(13) .
P2 C63 1.815(11) .
P2 C69 1.818(11) .
P2 C75 1.824(11) .
Fe1 C8 2.006(12) .
Fe1 C7 2.006(12) .
Fe1 C6 2.033(11) .
Fe1 C10 2.037(12) .
Fe1 C1 2.043(10) .
Fe1 C4 2.044(11) .
Fe1 C9 2.044(14) .
Fe1 C5 2.051(11) .
Fe1 C2 2.056(12) .
Fe1 C3 2.062(12) .
Fe2 C18 2.036(10) .
Fe2 C12 2.037(10) .
Fe2 C13 2.039(10) .
Fe2 C17 2.039(12) .
Fe2 C15 2.040(10) .
Fe2 C16 2.051(9) .
Fe2 C19 2.052(10) .
Fe2 C21 2.056(10) .
Fe2 C20 2.058(11) .
Fe2 C14 2.065(12) .
Fe3 C28 2.024(12) .
Fe3 C29 2.028(13) .
Fe3 C30 2.034(10) .
Fe3 C24 2.037(10) .
Fe3 C31 2.040(10) .
Fe3 C25 2.043(11) .
Fe3 C32 2.047(11) .
Fe3 C26 2.048(11) .
Fe3 C27 2.051(10) .
Fe3 C23 2.055(9) .
Fe4 C42 1.976(16) .
Fe4 C35 2.032(12) .
Fe4 C34 2.044(10) .
Fe4 C37 2.044(11) .
Fe4 C38 2.047(10) .
Fe4 C41 2.049(14) .
Fe4 C39 2.056(12) .
Fe4 C40 2.064(11) .
Fe4 C43 2.071(15) .
Fe4 C36 2.072(14) .
C1 C5 1.411(15) .
C1 C2 1.430(15) .
C1 C11 1.488(14) .
C2 C3 1.401(18) .
C3 C4 1.40(2) .
C4 C5 1.433(19) .
C6 C7 1.341(18) .
C6 C10 1.408(18) .
C7 C8 1.437(19) .
C8 C9 1.37(2) .
C9 C10 1.426(18) .
C12 C16 1.393(13) .
C12 C13 1.455(15) .
C12 C22 1.477(15) .
C13 C14 1.438(18) .
C14 C15 1.317(16) .
C15 C16 1.443(15) .
C17 C21 1.394(16) .
C17 C18 1.401(16) .
C18 C19 1.378(16) .
C19 C20 1.381(16) .
C20 C21 1.444(17) .
C23 C24 1.416(14) .
C23 C27 1.423(13) .
C23 C33 1.476(13) .
C24 C25 1.438(15) .
C25 C26 1.427(16) .
C26 C27 1.396(15) .
C28 C29 1.357(15) .
C28 C32 1.410(15) .
C29 C30 1.458(16) .
C30 C31 1.390(14) .
C31 C32 1.387(15) .
C34 C38 1.426(13) .
C34 C35 1.427(14) .
C34 C44 1.436(13) .
C35 C36 1.419(16) .
C36 C37 1.472(16) .
C37 C38 1.401(15) .
C39 C43 1.40(2) .
C39 C40 1.413(19) .
C40 C41 1.42(2) .
C41 C42 1.36(2) .
C42 C43 1.43(2) .
C45 C46 1.385(14) .
C45 C50 1.415(14) .
C46 C47 1.382(15) .
C47 C48 1.338(16) .
C48 C49 1.448(17) .
C49 C50 1.354(15) .
C51 C56 1.379(15) .
C51 C52 1.407(16) .
C52 C53 1.395(16) .
C53 C54 1.410(19) .
C54 C55 1.41(2) .
C55 C56 1.390(17) .
C57 C58 1.380(16) .
C57 C62 1.427(16) .
C58 C59 1.380(16) .
C59 C60 1.398(16) .
C60 C61 1.399(19) .
C61 C62 1.329(18) .
C63 C64 1.358(16) .
C63 C68 1.385(16) .
C64 C65 1.357(16) .
C65 C66 1.38(2) .
C66 C67 1.32(2) .
C67 C68 1.353(17) .
C69 C70 1.388(15) .
C69 C74 1.408(15) .
C70 C71 1.342(17) .
C71 C72 1.321(18) .
C72 C73 1.407(19) .
C73 C74 1.361(17) .
C75 C76 1.393(16) .
C75 C80 1.401(14) .
C76 C77 1.392(17) .
C77 C78 1.351(17) .
C78 C79 1.420(18) .
C79 C80 1.379(15) .
C1S Cl3 1.643(14) .
C1S Cl1 1.657(15) .
C1S Cl2 1.690(14) .
C2S Cl4 1.642(15) .
C2S Cl6 1.672(15) .
C2S Cl5 1.678(15) .
Cl4 Cl6 2.36(3) .
C3S Cl9 1.659(13) .
C3S Cl8 1.692(12) .
C3S Cl7 1.706(13) .
C4S Cl10 1.642(12) .
C4S Cl12 1.676(12) .
C4S Cl11 1.691(12) .
C5S Cl13 1.655(15) .
C5S Cl14 1.670(15) .
C5S Cl15 1.670(15) .
Cl14 Cl14 1.44(3) 2_756
C6S Cl17 1.6596 .
C6S Cl18 1.7302 .
C6S Cl16 1.7462 .
