#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/44/4314442.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_4314442
loop_
_publ_author_name
'Hari Pada Nayek'
'Werner Massa'
'Stefanie Dehnen'
_publ_contact_author
;
Dehnen, S.

Fachbereich Chemie der Philipps-Universitaet
Hans-Meerwein-Str.
D-35043 Marburg, Germany
;
_publ_contact_author_email       dehnen@chemie.uni-marburg.de
_publ_contact_author_fax         +6421-2825653
_publ_contact_author_phone       +6421-2825751
_publ_section_title
;
 Presence or Absence of a Central Se Atom in Silver Selenide/Selenolate
 Clusters with Halite Topology: Syntheses and Properties of
 [(Ph3PAg)8Ag6(μ6-Se)1-x/2(SePh)12]x+ (x= 0, 1)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              144
_journal_page_last               149
_journal_paper_doi               10.1021/ic901629k
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C258 H243 Ag14 Cl2 O6 P8 Se12.5 Sn'
_chemical_formula_weight         6374.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 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                 95.356(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.7467(19)
_cell_length_b                   26.8921(15)
_cell_length_c                   36.722(3)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.85
_cell_measurement_theta_min      2
_cell_volume                     24331(3)
_computing_cell_refinement       'XAREA 1.38 (Stoe 2006)'
_computing_data_collection       'XAREA 1.38 (Stoe 2006)'
_computing_data_reduction        'XAREA 1.38 (Stoe 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'IPDS-II (Stoe)'
_diffrn_measurement_method       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  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0719
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            114253
_diffrn_reflns_theta_full        25.91
_diffrn_reflns_theta_max         25.91
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.199
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             12504
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.173
_refine_diff_density_min         -2.722
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_hydrogen_treatment    calculated
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1380
_refine_ls_number_reflns         23438
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.837
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0668P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1080
_reflns_number_gt                14478
_reflns_number_total             23438
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901629k_si_003.cif
_cod_data_source_block           2a
_cod_original_cell_volume        24332(3)
_cod_original_formula_sum        'C258 H243 Ag14 Cl2 O6 P8 Se12.50 Sn'
_cod_database_code               4314442
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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
Sn1 Sn 0.7500 0.25416(3) 0.0000 0.04789(17) Uani 1 2 d S . .
Ag2 Ag 0.255695(16) 0.373887(17) 0.173347(13) 0.03436(11) Uani 1 1 d . . .
Ag4 Ag 0.392818(15) 0.235597(19) 0.191863(12) 0.03580(12) Uani 1 1 d . . .
Ag1 Ag 0.093258(16) 0.250533(18) 0.165322(12) 0.03435(11) Uani 1 1 d . . .
Ag3 Ag 0.269309(15) 0.394731(16) 0.312863(12) 0.02956(11) Uani 1 1 d . . .
Ag7 Ag 0.34791(2) 0.30335(2) 0.253258(15) 0.03963(15) Uani 0.9247(13) 1 d P . .
Ag7A Ag 0.3253(3) 0.3221(3) 0.2508(2) 0.03963(15) Uani 0.08 1 d P . .
Ag6 Ag 0.23035(2) 0.22633(2) 0.175063(15) 0.04105(15) Uani 0.9247(13) 1 d P . .
Ag6A Ag 0.2572(3) 0.2489(3) 0.17847(18) 0.04105(15) Uani 0.08 1 d P . .
Ag5 Ag 0.17545(4) 0.32855(3) 0.23737(5) 0.0884(4) Uani 0.9247(13) 1 d P . .
Ag5A Ag 0.1792(7) 0.3189(6) 0.2247(8) 0.0884(4) Uani 0.08 1 d P . .
Se2 Se 0.15447(2) 0.33324(3) 0.16834(3) 0.0818(4) Uani 1 1 d . . .
Se3 Se 0.29759(2) 0.38589(3) 0.243308(18) 0.03170(17) Uani 0.9247(13) 1 d P . .
Se3A Se 0.2842(3) 0.4085(4) 0.2394(3) 0.03170(17) Uani 0.08 1 d P . .
Se7 Se 0.30653(3) 0.28574(3) 0.163029(17) 0.03207(16) Uani 0.9247(13) 1 d P . .
Se7A Se 0.3335(4) 0.3043(3) 0.1608(2) 0.03207(16) Uani 0.08 1 d P . .
Se6 Se 0.15442(3) 0.16849(3) 0.153650(18) 0.03279(16) Uani 0.9247(13) 1 d P . .
Se6A Se 0.1804(4) 0.1882(4) 0.1584(2) 0.03279(16) Uani 0.08 1 d P . .
Se5 Se 0.43145(3) 0.24986(3) 0.262796(17) 0.03245(16) Uani 0.9247(13) 1 d P . .
Se5A Se 0.4074(4) 0.2682(4) 0.2603(2) 0.03245(16) Uani 0.08 1 d P . .
Se4 Se 0.16891(2) 0.35325(3) 0.30294(3) 0.0748(3) Uani 1 1 d . . .
Se1 Se 0.2500 0.2500 0.2500 0.0265(3) Uani 0.50 2 d SP . .
Cl1 Cl 0.83820(7) 0.25384(9) 0.04193(6) 0.0712(6) Uani 1 1 d . . .
P2 P 0.26086(6) 0.43791(6) 0.12639(4) 0.0350(4) Uani 1 1 d . . .
P4 P 0.47096(5) 0.22322(6) 0.15551(4) 0.0305(3) Uani 1 1 d . . .
P1 P 0.00629(5) 0.25285(6) 0.12615(4) 0.0270(3) Uani 1 1 d . . .
P3 P 0.28227(5) 0.47888(6) 0.34200(4) 0.0295(3) Uani 1 1 d . . .
C1 C 0.6600(3) 0.2299(4) 0.0501(3) 0.083(3) Uani 1 1 d . . .
H1 H 0.6428 0.2579 0.0382 0.099 Uiso 1 1 calc R . .
C2 C 0.6351(4) 0.2056(5) 0.0761(3) 0.106(4) Uani 1 1 d . . .
H2 H 0.6009 0.2170 0.0825 0.127 Uiso 1 1 calc R . .
C3 C 0.6583(4) 0.1652(4) 0.0930(3) 0.086(3) Uani 1 1 d . . .
H3 H 0.6402 0.1481 0.1109 0.104 Uiso 1 1 calc R . .
C4 C 0.7071(4) 0.1493(4) 0.0845(3) 0.085(3) Uani 1 1 d . . .
H4 H 0.7229 0.1206 0.0962 0.103 Uiso 1 1 calc R . .
C5 C 0.7344(3) 0.1742(3) 0.0589(2) 0.067(2) Uani 1 1 d . . .
H5 H 0.7697 0.1637 0.0539 0.081 Uiso 1 1 calc R . .
C6 C 0.7104(3) 0.2146(3) 0.0405(2) 0.0552(19) Uani 1 1 d . . .
C7 C 0.7500 0.3339(4) 0.0000 0.054(3) Uani 1 2 d S . .
C8 C 0.7523(4) 0.3606(3) 0.0322(2) 0.071(2) Uani 1 1 d . . .
H8 H 0.7538 0.3434 0.0549 0.085 Uiso 1 1 calc R . .
C9 C 0.7523(4) 0.4118(4) 0.0320(3) 0.083(3) Uani 1 1 d . . .
H9 H 0.7539 0.4295 0.0544 0.100 Uiso 1 1 calc R . .
C10 C 0.7500 0.4370(5) 0.0000 0.082(4) Uani 1 2 d S . .
H10 H 0.7500 0.4723 0.0000 0.098 Uiso 1 2 calc SR . .
C11 C 0.1048(2) 0.3889(3) 0.1619(2) 0.054(2) Uani 1 1 d . . .
C12 C 0.0889(3) 0.4049(3) 0.1269(3) 0.069(2) Uani 1 1 d . . .
H12 H 0.1010 0.3880 0.1065 0.083 Uiso 1 1 calc R . .
C13 C 0.0556(4) 0.4457(4) 0.1218(3) 0.084(3) Uani 1 1 d . . .
H13 H 0.0446 0.4570 0.0977 0.101 Uiso 1 1 calc R . .
C14 C 0.0382(3) 0.4700(3) 0.1515(3) 0.081(3) Uani 1 1 d . . .
H14 H 0.0150 0.4981 0.1477 0.098 Uiso 1 1 calc R . .
C15 C 0.0533(3) 0.4548(3) 0.1859(3) 0.067(2) Uani 1 1 d . . .
H15 H 0.0412 0.4723 0.2061 0.081 Uiso 1 1 calc R . .
C16 C 0.0866(2) 0.4134(3) 0.1918(3) 0.061(2) Uani 1 1 d . . .
H16 H 0.0969 0.4021 0.2159 0.073 Uiso 1 1 calc R . .
C21 C 0.3564(2) 0.4337(2) 0.24537(16) 0.0322(13) Uani 1 1 d . . .
C22 C 0.3609(3) 0.4677(3) 0.2181(2) 0.0509(18) Uani 1 1 d . . .
H22 H 0.3348 0.4683 0.1974 0.061 Uiso 1 1 calc R . .
C23 C 0.4041(3) 0.5016(3) 0.2209(2) 0.065(2) Uani 1 1 d . . .
H23 H 0.4078 0.5248 0.2017 0.078 Uiso 1 1 calc R . .
C24 C 0.4414(3) 0.5017(3) 0.2512(2) 0.0518(18) Uani 1 1 d . . .
H24 H 0.4713 0.5239 0.2526 0.062 Uiso 1 1 calc R . .
C25 C 0.4349(2) 0.4697(3) 0.27894(19) 0.0423(16) Uani 1 1 d . . .
H25 H 0.4594 0.4707 0.3005 0.051 Uiso 1 1 calc R . .
C26 C 0.3929(2) 0.4354(2) 0.27617(17) 0.0343(14) Uani 1 1 d . . .
H26 H 0.3891 0.4129 0.2957 0.041 Uiso 1 1 calc R . .
C31 C 0.3126(2) 0.2808(2) 0.11065(15) 0.0337(13) Uani 1 1 d . . .
C32 C 0.3557(2) 0.3030(2) 0.09600(18) 0.0425(15) Uani 1 1 d . . .
H32 H 0.3818 0.3211 0.1113 0.051 Uiso 1 1 calc R . .
C33 C 0.3611(3) 0.2989(3) 0.0586(2) 0.0516(18) Uani 1 1 d . . .
H33 H 0.3903 0.3150 0.0483 0.062 Uiso 1 1 calc R . .
C34 C 0.3241(3) 0.2716(3) 0.03679(18) 0.0491(17) Uani 1 1 d . . .
H34 H 0.3281 0.2678 0.0115 0.059 Uiso 1 1 calc R . .
C35 C 0.2807(3) 0.2496(3) 0.05194(18) 0.0499(17) Uani 1 1 d . . .
H35 H 0.2549 0.2309 0.0369 0.060 Uiso 1 1 calc R . .
C36 C 0.2749(3) 0.2547(3) 0.08879(17) 0.0415(15) Uani 1 1 d . . .
H36 H 0.2448 0.2401 0.0989 0.050 Uiso 1 1 calc R . .
C41 C 0.1664(3) 0.1587(2) 0.10282(16) 0.0379(14) Uani 1 1 d . . .
C42 C 0.1245(3) 0.1668(3) 0.0761(2) 0.068(2) Uani 1 1 d . . .
H42 H 0.0915 0.1813 0.0823 0.081 Uiso 1 1 calc R . .
C43 C 0.1304(4) 0.1538(4) 0.0405(2) 0.085(3) Uani 1 1 d . . .
H43 H 0.1013 0.1596 0.0223 0.103 Uiso 1 1 calc R . .
C44 C 0.1774(3) 0.1327(3) 0.0308(2) 0.070(2) Uani 1 1 d . . .
H44 H 0.1810 0.1240 0.0061 0.084 Uiso 1 1 calc R . .
C45 C 0.2195(3) 0.1244(3) 0.0577(2) 0.0542(18) Uani 1 1 d . . .
H45 H 0.2520 0.1092 0.0514 0.065 Uiso 1 1 calc R . .
C46 C 0.2146(2) 0.1379(2) 0.09318(17) 0.0402(15) Uani 1 1 d . . .
H46 H 0.2441 0.1331 0.1113 0.048 Uiso 1 1 calc R . .
C51 C 0.5421(3) 0.2795(3) 0.2637(2) 0.059(2) Uani 1 1 d . . .
H51 H 0.5488 0.2458 0.2705 0.071 Uiso 1 1 calc R . .
C52 C 0.5847(3) 0.3117(3) 0.2598(3) 0.072(3) Uani 1 1 d . . .
H52 H 0.6209 0.2999 0.2642 0.087 Uiso 1 1 calc R . .
C53 C 0.5757(3) 0.3598(3) 0.2500(2) 0.059(2) Uani 1 1 d . . .
H53 H 0.6055 0.3813 0.2474 0.071 Uiso 1 1 calc R . .
C54 C 0.5240(3) 0.3774(3) 0.2437(2) 0.055(2) Uani 1 1 d . . .
H54 H 0.5179 0.4112 0.2370 0.067 Uiso 1 1 calc R . .
C55 C 0.4800(2) 0.3456(2) 0.24711(19) 0.0446(16) Uani 1 1 d . . .
H55 H 0.4439 0.3574 0.2422 0.053 Uiso 1 1 calc R . .
C56 C 0.4895(2) 0.2972(3) 0.25757(16) 0.0383(15) Uani 1 1 d . . .
C61 C 0.1315(2) 0.4164(2) 0.2973(2) 0.0442(17) Uani 1 1 d . . .
C62 C 0.1498(2) 0.4530(2) 0.2751(2) 0.0455(17) Uani 1 1 d . . .
H62 H 0.1788 0.4461 0.2606 0.055 Uiso 1 1 calc R . .
C63 C 0.1261(2) 0.4994(2) 0.27386(19) 0.0429(16) Uani 1 1 d . . .
H63 H 0.1390 0.5245 0.2586 0.052 Uiso 1 1 calc R . .
C64 C 0.0837(2) 0.5099(2) 0.29467(19) 0.0447(16) Uani 1 1 d . . .
H64 H 0.0679 0.5421 0.2941 0.054 Uiso 1 1 calc R . .
C65 C 0.0647(2) 0.4733(3) 0.3160(2) 0.0511(18) Uani 1 1 d . . .
H65 H 0.0349 0.4800 0.3297 0.061 Uiso 1 1 calc R . .
C66 C 0.0887(2) 0.4265(3) 0.3177(2) 0.0489(18) Uani 1 1 d . . .
H66 H 0.0756 0.4015 0.3329 0.059 Uiso 1 1 calc R . .
C111 C 0.3281(2) 0.4462(2) 0.11039(18) 0.0429(15) Uani 1 1 d . . .
C112 C 0.3367(3) 0.4710(3) 0.0785(2) 0.063(2) Uani 1 1 d . . .
H112 H 0.3069 0.4853 0.0640 0.075 Uiso 1 1 calc R . .
C113 C 0.3892(4) 0.4751(4) 0.0674(2) 0.080(3) Uani 1 1 d . . .
H113 H 0.3951 0.4917 0.0453 0.095 Uiso 1 1 calc R . .
C114 C 0.4329(3) 0.4544(4) 0.0893(3) 0.085(3) Uani 1 1 d . . .
H114 H 0.4687 0.4578 0.0823 0.102 Uiso 1 1 calc R . .
C115 C 0.4244(3) 0.4299(4) 0.1200(3) 0.073(3) Uani 1 1 d . . .
H115 H 0.4542 0.4152 0.1343 0.087 Uiso 1 1 calc R . .
C116 C 0.3725(2) 0.4256(3) 0.1310(2) 0.0494(17) Uani 1 1 d . . .
H116 H 0.3672 0.4084 0.1530 0.059 Uiso 1 1 calc R . .
C121 C 0.2258(3) 0.3846(3) 0.0651(2) 0.064(2) Uani 1 1 d . . .
H121 H 0.2514 0.3610 0.0754 0.077 Uiso 1 1 calc R . .
C122 C 0.1969(3) 0.3743(3) 0.0321(2) 0.076(3) Uani 1 1 d . . .
H122 H 0.2035 0.3444 0.0195 0.091 Uiso 1 1 calc R . .
C123 C 0.1586(3) 0.4073(3) 0.0176(2) 0.064(2) Uani 1 1 d . . .
H123 H 0.1384 0.4003 -0.0051 0.077 Uiso 1 1 calc R . .
C124 C 0.1497(4) 0.4499(3) 0.0357(2) 0.076(3) Uani 1 1 d . . .
H124 H 0.1226 0.4725 0.0259 0.091 Uiso 1 1 calc R . .
C125 C 0.1802(3) 0.4608(3) 0.0688(2) 0.063(2) Uani 1 1 d . . .
H125 H 0.1743 0.4910 0.0813 0.076 Uiso 1 1 calc R . .
C126 C 0.2187(2) 0.4277(2) 0.08314(17) 0.0385(14) Uani 1 1 d . . .
C131 C 0.2393(2) 0.4990(2) 0.14064(18) 0.0406(15) Uani 1 1 d . . .
C132 C 0.2649(3) 0.5431(3) 0.1330(2) 0.0561(19) Uani 1 1 d . . .
H132 H 0.2968 0.5424 0.1206 0.067 Uiso 1 1 calc R . .
C133 C 0.2440(4) 0.5885(3) 0.1436(3) 0.075(3) Uani 1 1 d . . .
H133 H 0.2622 0.6185 0.1386 0.090 Uiso 1 1 calc R . .
C134 C 0.1974(4) 0.5900(3) 0.1611(3) 0.071(2) Uani 1 1 d . . .
H134 H 0.1825 0.6210 0.1676 0.085 Uiso 1 1 calc R . .
C135 C 0.1727(3) 0.5467(3) 0.1692(2) 0.067(2) Uani 1 1 d . . .
H135 H 0.1406 0.5477 0.1815 0.080 Uiso 1 1 calc R . .
C136 C 0.1933(3) 0.5015(3) 0.1598(2) 0.0527(18) Uani 1 1 d . . .
H136 H 0.1761 0.4717 0.1664 0.063 Uiso 1 1 calc R . .
C211 C 0.5040(2) 0.2772(2) 0.13663(17) 0.0359(14) Uani 1 1 d . . .
C212 C 0.5275(3) 0.3119(3) 0.1602(2) 0.061(2) Uani 1 1 d . . .
H212 H 0.5262 0.3074 0.1858 0.074 Uiso 1 1 calc R . .
C213 C 0.5531(3) 0.3535(3) 0.1478(3) 0.074(3) Uani 1 1 d . . .
H213 H 0.5694 0.3770 0.1647 0.089 Uiso 1 1 calc R . .
C214 C 0.5549(3) 0.3607(3) 0.1115(3) 0.074(3) Uani 1 1 d . . .
H214 H 0.5732 0.3888 0.1029 0.089 Uiso 1 1 calc R . .
C215 C 0.5306(4) 0.3277(4) 0.0873(3) 0.081(3) Uani 1 1 d . . .
H215 H 0.5308 0.3332 0.0618 0.097 Uiso 1 1 calc R . .
C216 C 0.5051(3) 0.2850(3) 0.1002(2) 0.061(2) Uani 1 1 d . . .
H216 H 0.4887 0.2617 0.0833 0.074 Uiso 1 1 calc R . .
C221 C 0.5269(2) 0.1920(2) 0.18257(16) 0.0363(14) Uani 1 1 d . . .
C222 C 0.5812(2) 0.1973(3) 0.1768(2) 0.060(2) Uani 1 1 d . . .
H222 H 0.5914 0.2191 0.1583 0.071 Uiso 1 1 calc R . .
C223 C 0.6204(3) 0.1708(4) 0.1980(3) 0.078(3) Uani 1 1 d . . .
H223 H 0.6575 0.1742 0.1938 0.094 Uiso 1 1 calc R . .
C224 C 0.6061(4) 0.1401(4) 0.2245(3) 0.087(3) Uani 1 1 d . . .
H224 H 0.6333 0.1227 0.2395 0.105 Uiso 1 1 calc R . .
C225 C 0.5529(4) 0.1341(3) 0.2299(3) 0.081(3) Uani 1 1 d . . .
H225 H 0.5429 0.1113 0.2478 0.097 Uiso 1 1 calc R . .
C226 C 0.5137(3) 0.1605(3) 0.2096(2) 0.0532(18) Uani 1 1 d . . .
H226 H 0.4768 0.1569 0.2143 0.064 Uiso 1 1 calc R . .
C231 C 0.4559(2) 0.1826(2) 0.11588(16) 0.0322(13) Uani 1 1 d . . .
C232 C 0.4961(3) 0.1574(3) 0.09940(19) 0.0496(18) Uani 1 1 d . . .
H232 H 0.5330 0.1604 0.1090 0.060 Uiso 1 1 calc R . .
C233 C 0.4827(3) 0.1278(3) 0.06893(19) 0.0569(19) Uani 1 1 d . . .
H233 H 0.5104 0.1112 0.0575 0.068 Uiso 1 1 calc R . .
C234 C 0.4299(3) 0.1224(3) 0.0554(2) 0.0572(19) Uani 1 1 d . . .
H234 H 0.4208 0.1019 0.0346 0.069 Uiso 1 1 calc R . .
C235 C 0.3897(3) 0.1467(3) 0.0719(2) 0.058(2) Uani 1 1 d . . .
H235 H 0.3529 0.1429 0.0624 0.070 Uiso 1 1 calc R . .
C236 C 0.4024(2) 0.1766(2) 0.10213(18) 0.0430(16) Uani 1 1 d . . .
H236 H 0.3743 0.1929 0.1135 0.052 Uiso 1 1 calc R . .
C311 C -0.0374(2) 0.3068(2) 0.13186(17) 0.0333(13) Uani 1 1 d . . .
C312 C -0.0297(3) 0.3333(3) 0.1637(2) 0.0522(19) Uani 1 1 d . . .
H312 H -0.0033 0.3228 0.1826 0.063 Uiso 1 1 calc R . .
C313 C -0.0601(3) 0.3751(3) 0.1685(2) 0.077(3) Uani 1 1 d . . .
H313 H -0.0540 0.3936 0.1905 0.092 Uiso 1 1 calc R . .
C314 C -0.0985(3) 0.3906(3) 0.1423(2) 0.067(2) Uani 1 1 d . . .
H314 H -0.1196 0.4193 0.1461 0.080 Uiso 1 1 calc R . .
C315 C -0.1067(3) 0.3644(3) 0.1101(2) 0.057(2) Uani 1 1 d . . .
H315 H -0.1338 0.3749 0.0916 0.068 Uiso 1 1 calc R . .
C316 C -0.0758(2) 0.3230(3) 0.10443(19) 0.0434(16) Uani 1 1 d . . .
H316 H -0.0806 0.3056 0.0819 0.052 Uiso 1 1 calc R . .
C321 C -0.0363(2) 0.1980(2) 0.13090(15) 0.0311(13) Uani 1 1 d . . .
C322 C -0.0918(2) 0.1977(2) 0.12223(17) 0.0393(15) Uani 1 1 d . . .
H322 H -0.1101 0.2275 0.1145 0.047 Uiso 1 1 calc R . .
C323 C -0.1211(2) 0.1537(3) 0.1248(2) 0.0491(18) Uani 1 1 d . . .
H323 H -0.1592 0.1537 0.1188 0.059 Uiso 1 1 calc R . .
C324 C -0.0950(3) 0.1104(3) 0.1359(2) 0.0554(19) Uani 1 1 d . . .
H324 H -0.1149 0.0803 0.1373 0.066 Uiso 1 1 calc R . .
C325 C -0.0400(3) 0.1112(3) 0.1450(2) 0.061(2) Uani 1 1 d . . .
H325 H -0.0219 0.0816 0.1534 0.074 Uiso 1 1 calc R . .
C326 C -0.0105(2) 0.1541(2) 0.14218(19) 0.0424(16) Uani 1 1 d . . .
H326 H 0.0277 0.1537 0.1480 0.051 Uiso 1 1 calc R . .
C331 C 0.0156(2) 0.2548(2) 0.07711(15) 0.0318(13) Uani 1 1 d . . .
C332 C -0.0167(3) 0.2294(3) 0.05070(18) 0.0511(18) Uani 1 1 d . . .
H332 H -0.0464 0.2101 0.0574 0.061 Uiso 1 1 calc R . .
C333 C -0.0059(3) 0.2322(3) 0.0148(2) 0.066(2) Uani 1 1 d . . .
H333 H -0.0284 0.2147 -0.0033 0.079 Uiso 1 1 calc R . .
C334 C 0.0364(3) 0.2596(4) 0.0046(2) 0.068(2) Uani 1 1 d . . .
H334 H 0.0442 0.2606 -0.0203 0.081 Uiso 1 1 calc R . .
C335 C 0.0672(3) 0.2854(3) 0.0304(2) 0.069(2) Uani 1 1 d . . .
H335 H 0.0959 0.3056 0.0232 0.083 Uiso 1 1 calc R . .
C336 C 0.0580(3) 0.2832(3) 0.06702(19) 0.0491(17) Uani 1 1 d . . .
H336 H 0.0806 0.3011 0.0849 0.059 Uiso 1 1 calc R . .
C411 C 0.2472(2) 0.4879(2) 0.38299(17) 0.0365(14) Uani 1 1 d . . .
C412 C 0.1943(2) 0.4714(3) 0.3823(2) 0.0526(18) Uani 1 1 d . . .
H412 H 0.1779 0.4556 0.3609 0.063 Uiso 1 1 calc R . .
C413 C 0.1646(3) 0.4776(3) 0.4125(3) 0.070(2) Uani 1 1 d . . .
H413 H 0.1280 0.4666 0.4114 0.084 Uiso 1 1 calc R . .
C414 C 0.1882(4) 0.4992(4) 0.4432(3) 0.087(3) Uani 1 1 d . . .
H414 H 0.1683 0.5027 0.4640 0.105 Uiso 1 1 calc R . .
C415 C 0.2405(4) 0.5160(4) 0.4448(3) 0.093(3) Uani 1 1 d . . .
H415 H 0.2566 0.5315 0.4664 0.112 Uiso 1 1 calc R . .
C416 C 0.2701(3) 0.5102(3) 0.4142(2) 0.063(2) Uani 1 1 d . . .
H416 H 0.3064 0.5220 0.4152 0.075 Uiso 1 1 calc R . .
C421 C 0.2597(2) 0.5319(2) 0.31288(17) 0.0329(13) Uani 1 1 d . . .
C422 C 0.2323(2) 0.5722(2) 0.3253(2) 0.0439(16) Uani 1 1 d . . .
H422 H 0.2235 0.5730 0.3499 0.053 Uiso 1 1 calc R . .
C423 C 0.2175(3) 0.6116(3) 0.3021(2) 0.058(2) Uani 1 1 d . . .
H423 H 0.1983 0.6391 0.3108 0.070 Uiso 1 1 calc R . .
C424 C 0.2303(3) 0.6109(3) 0.2667(2) 0.0549(19) Uani 1 1 d . . .
H424 H 0.2205 0.6380 0.2509 0.066 Uiso 1 1 calc R . .
C425 C 0.2575(2) 0.5708(3) 0.2542(2) 0.0518(18) Uani 1 1 d . . .
H425 H 0.2668 0.5702 0.2297 0.062 Uiso 1 1 calc R . .
C426 C 0.2714(2) 0.5314(3) 0.27730(19) 0.0439(16) Uani 1 1 d . . .
H426 H 0.2895 0.5034 0.2683 0.053 Uiso 1 1 calc R . .
C431 C 0.3522(2) 0.4954(2) 0.35770(16) 0.0332(13) Uani 1 1 d . . .
C432 C 0.3770(2) 0.5389(3) 0.34815(19) 0.0432(16) Uani 1 1 d . . .
H432 H 0.3573 0.5618 0.3323 0.052 Uiso 1 1 calc R . .
C433 C 0.4299(3) 0.5496(3) 0.3612(2) 0.059(2) Uani 1 1 d . . .
H433 H 0.4465 0.5794 0.3540 0.071 Uiso 1 1 calc R . .
C434 C 0.4586(3) 0.5169(3) 0.3846(2) 0.055(2) Uani 1 1 d . . .
H434 H 0.4944 0.5248 0.3944 0.066 Uiso 1 1 calc R . .
C435 C 0.4353(3) 0.4737(3) 0.3936(2) 0.062(2) Uani 1 1 d . . .
H435 H 0.4555 0.4508 0.4091 0.075 Uiso 1 1 calc R . .
C436 C 0.3822(2) 0.4624(3) 0.3804(2) 0.0490(17) Uani 1 1 d . . .
H436 H 0.3664 0.4319 0.3870 0.059 Uiso 1 1 calc R . .
O1 O 0.5541(4) 0.4402(4) 0.0260(3) 0.149(4) Uani 1 1 d . . .
C511 C 0.5114(5) 0.4255(6) -0.0005(4) 0.134(5) Uani 1 1 d . . .
H51A H 0.4937 0.4550 -0.0125 0.161 Uiso 1 1 calc R . .
H51B H 0.4838 0.4059 0.0111 0.161 Uiso 1 1 calc R . .
C512 C 0.5370(5) 0.3949(6) -0.0273(4) 0.128(5) Uani 1 1 d . . .
H51C H 0.5142 0.3657 -0.0346 0.153 Uiso 1 1 calc R . .
H51D H 0.5425 0.4146 -0.0495 0.153 Uiso 1 1 calc R . .
C513 C 0.5872(6) 0.3799(6) -0.0093(3) 0.127(5) Uani 1 1 d . . .
H51E H 0.6159 0.3814 -0.0264 0.153 Uiso 1 1 calc R . .
H51F H 0.5847 0.3453 -0.0005 0.153 Uiso 1 1 calc R . .
C514 C 0.5998(4) 0.4126(5) 0.0206(4) 0.114(4) Uani 1 1 d . . .
H51G H 0.6115 0.3932 0.0429 0.137 Uiso 1 1 calc R . .
H51H H 0.6299 0.4350 0.0154 0.137 Uiso 1 1 calc R . .
O2 O 0.5530(7) 0.0413(9) 0.9776(7) 0.295(10) Uani 1 1 d . . .
C521 C 0.5564(8) 0.0888(9) 0.9670(6) 0.181(8) Uani 1 1 d . . .
H52A H 0.5238 0.1074 0.9729 0.218 Uiso 1 1 calc R . .
H52B H 0.5587 0.0905 0.9402 0.218 Uiso 1 1 calc R . .
C522 C 0.6026(8) 0.1093(6) 0.9854(6) 0.174(7) Uani 1 1 d . . .
H52C H 0.6314 0.1150 0.9689 0.209 Uiso 1 1 calc R . .
H52D H 0.5945 0.1410 0.9976 0.209 Uiso 1 1 calc R . .
C523 C 0.6161(10) 0.0733(10) 1.0097(8) 0.199(10) Uiso 1 1 d . . .
H52E H 0.6524 0.0610 1.0046 0.239 Uiso 1 1 calc R . .
H52F H 0.6207 0.0893 1.0341 0.239 Uiso 1 1 calc R . .
C524 C 0.5882(11) 0.0377(11) 1.0124(6) 0.223(14) Uani 1 1 d . . .
H52G H 0.5670 0.0400 1.0339 0.268 Uiso 1 1 calc R . .
H52H H 0.6097 0.0066 1.0139 0.268 Uiso 1 1 calc R . .
O3 O 0.7311(4) 0.2899(4) 0.1936(3) 0.147(4) Uani 1 1 d . . .
C531 C 0.7236(6) 0.2679(5) 0.1574(5) 0.141(6) Uani 1 1 d . . .
H53A H 0.7061 0.2349 0.1587 0.170 Uiso 1 1 calc R . .
H53B H 0.6997 0.2893 0.1409 0.170 Uiso 1 1 calc R . .
C532 C 0.7746(5) 0.2628(6) 0.1436(4) 0.124(5) Uani 1 1 d . . .
H53C H 0.7782 0.2872 0.1237 0.149 Uiso 1 1 calc R . .
H53D H 0.7786 0.2289 0.1336 0.149 Uiso 1 1 calc R . .
C533 C 0.8148(5) 0.2716(5) 0.1731(4) 0.119(4) Uani 1 1 d . . .
H53E H 0.8396 0.2984 0.1668 0.142 Uiso 1 1 calc R . .
H53F H 0.8364 0.2411 0.1787 0.142 Uiso 1 1 calc R . .
C534 C 0.7863(6) 0.2860(7) 0.2044(4) 0.166(7) Uani 1 1 d . . .
H53G H 0.7924 0.2607 0.2240 0.199 Uiso 1 1 calc R . .
H53H H 0.8004 0.3183 0.2142 0.199 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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'
Sn Sn -0.6537 1.4246 '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
C6 Sn1 C6 120.3(4) 2_655 . ?
C6 Sn1 C7 119.8(2) 2_655 . ?
C6 Sn1 C7 119.8(2) . . ?
C6 Sn1 Cl1 90.0(2) 2_655 2_655 ?
C6 Sn1 Cl1 89.8(2) . 2_655 ?
C7 Sn1 Cl1 90.20(6) . 2_655 ?
C6 Sn1 Cl1 89.8(2) 2_655 . ?
C6 Sn1 Cl1 90.0(2) . . ?
C7 Sn1 Cl1 90.20(6) . . ?
Cl1 Sn1 Cl1 179.61(12) 2_655 . ?
P2 Ag2 Se3A 111.9(2) . . ?
P2 Ag2 Se3 123.07(4) . . ?
Se3A Ag2 Se3 15.1(2) . . ?
P2 Ag2 Se2 110.05(4) . . ?
Se3A Ag2 Se2 111.72(19) . . ?
Se3 Ag2 Se2 112.43(3) . . ?
P2 Ag2 Se7 117.28(5) . . ?
Se3A Ag2 Se7 110.4(2) . . ?
Se3 Ag2 Se7 95.46(3) . . ?
Se2 Ag2 Se7 94.30(3) . . ?
P2 Ag2 Se7A 106.1(2) . . ?
Se3A Ag2 Se7A 105.3(3) . . ?
Se3 Ag2 Se7A 91.62(17) . . ?
Se2 Ag2 Se7A 111.6(2) . . ?
Se7 Ag2 Se7A 17.7(2) . . ?
P2 Ag2 Ag5A 145.3(3) . . ?
Se3A Ag2 Ag5A 75.0(4) . . ?
Se3 Ag2 Ag5A 71.7(4) . . ?
Se2 Ag2 Ag5A 41.8(4) . . ?
Se7 Ag2 Ag5A 89.2(3) . . ?
Se7A Ag2 Ag5A 104.4(3) . . ?
P2 Ag2 Ag6A 137.77(12) . . ?
Se3A Ag2 Ag6A 107.6(3) . . ?
Se3 Ag2 Ag6A 93.73(12) . . ?
Se2 Ag2 Ag6A 66.92(12) . . ?
Se7 Ag2 Ag6A 30.35(12) . . ?
Se7A Ag2 Ag6A 47.7(2) . . ?
Ag5A Ag2 Ag6A 60.2(3) . . ?
P4 Ag4 Se7A 107.5(2) . . ?
P4 Ag4 Se5A 120.8(2) . . ?
Se7A Ag4 Se5A 101.8(3) . . ?
P4 Ag4 Se7 119.50(4) . . ?
Se7A Ag4 Se7 18.5(2) . . ?
Se5A Ag4 Se7 104.0(2) . . ?
P4 Ag4 Se5 108.28(4) . . ?
Se7A Ag4 Se5 117.48(19) . . ?
Se5A Ag4 Se5 16.5(2) . . ?
Se7 Ag4 Se5 120.51(3) . . ?
P4 Ag4 Se4 111.97(5) . 7 ?
Se7A Ag4 Se4 110.2(2) . 7 ?
Se5A Ag4 Se4 103.91(18) . 7 ?
Se7 Ag4 Se4 92.08(2) . 7 ?
Se5 Ag4 Se4 101.35(3) . 7 ?
P4 Ag4 Ag7 143.40(4) . . ?
Se7A Ag4 Ag7 71.28(18) . . ?
Se5A Ag4 Ag7 33.4(2) . . ?
Se7 Ag4 Ag7 70.79(2) . . ?
Se5 Ag4 Ag7 49.77(2) . . ?
Se4 Ag4 Ag7 102.00(3) 7 . ?
P4 Ag4 Ag6A 139.02(12) . . ?
Se7A Ag4 Ag6A 48.4(3) . . ?
Se5A Ag4 Ag6A 98.6(2) . . ?
Se7 Ag4 Ag6A 30.16(13) . . ?
Se5 Ag4 Ag6A 112.45(12) . . ?
Se4 Ag4 Ag6A 64.28(14) 7 . ?
Ag7 Ag4 Ag6A 68.45(12) . . ?
P1 Ag1 Se2 117.35(4) . . ?
P1 Ag1 Se6 113.17(4) . . ?
Se2 Ag1 Se6 110.88(3) . . ?
P1 Ag1 Se6A 127.3(2) . . ?
Se2 Ag1 Se6A 93.7(2) . . ?
Se6 Ag1 Se6A 17.6(2) . . ?
P1 Ag1 Se5 107.29(4) . 7 ?
Se2 Ag1 Se5 97.92(3) . 7 ?
Se6 Ag1 Se5 108.78(3) . 7 ?
Se6A Ag1 Se5 109.24(17) . 7 ?
P1 Ag1 Se5A 119.41(19) . 7 ?
Se2 Ag1 Se5A 99.49(18) . 7 ?
Se6 Ag1 Se5A 93.5(2) . 7 ?
Se6A Ag1 Se5A 93.2(3) . 7 ?
Se5 Ag1 Se5A 16.0(2) 7 7 ?
P3 Ag3 Se6A 122.6(2) . 7 ?
P3 Ag3 Se4 120.40(4) . . ?
Se6A Ag3 Se4 95.4(2) 7 . ?
P3 Ag3 Se3 116.42(4) . . ?
Se6A Ag3 Se3 98.28(17) 7 . ?
Se4 Ag3 Se3 98.65(3) . . ?
P3 Ag3 Se6 108.19(4) . 7 ?
Se6A Ag3 Se6 17.7(2) 7 7 ?
Se4 Ag3 Se6 112.82(3) . 7 ?
Se3 Ag3 Se6 98.06(3) . 7 ?
P3 Ag3 Se3A 105.7(2) . . ?
Se6A Ag3 Se3A 112.9(3) 7 . ?
Se4 Ag3 Se3A 97.29(18) . . ?
Se3 Ag3 Se3A 14.6(2) . . ?
Se6 Ag3 Se3A 111.7(2) 7 . ?
P3 Ag3 Ag6 146.82(4) . 7 ?
Se6A Ag3 Ag6 30.6(2) 7 7 ?
Se4 Ag3 Ag6 66.550(19) . 7 ?
Se3 Ag3 Ag6 92.43(2) . 7 ?
Se6 Ag3 Ag6 48.14(2) 7 7 ?
Se3A Ag3 Ag6 105.3(2) . 7 ?
Ag7A Ag7 Se5A 170.7(6) . . ?
Ag7A Ag7 Se5 172.9(5) . . ?
Se5A Ag7 Se5 2.2(3) . . ?
Ag7A Ag7 Se3 18.9(5) . . ?
Se5A Ag7 Se3 152.0(3) . . ?
Se5 Ag7 Se3 154.14(3) . . ?
Ag7A Ag7 Se1 72.9(5) . . ?
Se5A Ag7 Se1 116.2(3) . . ?
Se5 Ag7 Se1 114.09(3) . . ?
Se3 Ag7 Se1 91.75(2) . . ?
Ag7A Ag7 Ag4 127.2(6) . . ?
Se5A Ag7 Ag4 56.6(3) . . ?
Se5 Ag7 Ag4 55.53(2) . . ?
Se3 Ag7 Ag4 126.48(3) . . ?
Se1 Ag7 Ag4 91.968(18) . . ?
Ag7 Ag7A Se3 153.6(7) . . ?
Ag7 Ag7A Se5A 6.5(4) . . ?
Se3 Ag7A Se5A 147.2(4) . . ?
Ag7 Ag7A Se3A 155.3(7) . . ?
Se3 Ag7A Se3A 2.0(2) . . ?
Se5A Ag7A Se3A 149.0(4) . . ?
Ag7 Ag7A Se1 91.5(6) . . ?
Se3 Ag7A Se1 114.8(3) . . ?
Se5A Ag7A Se1 98.0(3) . . ?
Se3A Ag7A Se1 112.9(3) . . ?
Ag6A Ag6 Se6A 166.5(5) . . ?
Ag6A Ag6 Se6 169.5(4) . . ?
Se6A Ag6 Se6 3.1(3) . . ?
Ag6A Ag6 Se7 18.2(4) . . ?
Se6A Ag6 Se7 148.7(3) . . ?
Se6 Ag6 Se7 151.82(3) . . ?
Ag6A Ag6 Se1 69.8(4) . . ?
Se6A Ag6 Se1 123.2(3) . . ?
Se6 Ag6 Se1 120.09(3) . . ?
Se7 Ag6 Se1 87.98(2) . . ?
Ag6A Ag6 Ag3 131.1(4) . 7 ?
Se6A Ag6 Ag3 55.6(3) . 7 ?
Se6 Ag6 Ag3 54.57(2) . 7 ?
Se7 Ag6 Ag3 130.83(2) . 7 ?
Se1 Ag6 Ag3 95.384(17) . 7 ?
Ag6 Ag6A Se7 152.3(6) . . ?
Ag6 Ag6A Se7A 156.6(6) . . ?
Se7 Ag6A Se7A 4.5(2) . . ?
Ag6 Ag6A Se6A 8.8(3) . . ?
Se7 Ag6A Se6A 143.9(4) . . ?
Se7A Ag6A Se6A 148.3(4) . . ?
Ag6 Ag6A Se1 91.6(5) . . ?
Se7 Ag6A Se1 116.0(4) . . ?
Se7A Ag6A Se1 111.6(3) . . ?
Se6A Ag6A Se1 100.1(3) . . ?
Ag6 Ag6A Ag5A 89.9(5) . . ?
Se7 Ag6A Ag5A 108.2(5) . . ?
Se7A Ag6A Ag5A 106.5(5) . . ?
Se6A Ag6A Ag5A 93.3(4) . . ?
Se1 Ag6A Ag5A 52.0(5) . . ?
Ag6 Ag6A Ag2 131.5(5) . . ?
Se7 Ag6A Ag2 53.7(2) . . ?
Se7A Ag6A Ag2 53.5(2) . . ?
Se6A Ag6A Ag2 128.1(3) . . ?
Se1 Ag6A Ag2 92.5(2) . . ?
Ag5A Ag6A Ag2 56.8(4) . . ?
Ag6 Ag6A Ag4 131.3(5) . . ?
Se7 Ag6A Ag4 51.42(18) . . ?
Se7A Ag6A Ag4 49.0(2) . . ?
Se6A Ag6A Ag4 132.6(3) . . ?
Se1 Ag6A Ag4 90.82(19) . . ?
Ag5A Ag6A Ag4 127.8(4) . . ?
Ag2 Ag6A Ag4 96.9(2) . . ?
Ag5A Ag5 Se4 166(2) . . ?
Ag5A Ag5 Se2 38(2) . . ?
Se4 Ag5 Se2 156.21(4) . . ?
Ag5A Ag5 Se1 68(2) . . ?
Se4 Ag5 Se1 98.06(5) . . ?
Se2 Ag5 Se1 105.73(4) . . ?
Ag5 Ag5A Se2 133(2) . . ?
Ag5 Ag5A Se1 101(3) . . ?
Se2 Ag5A Se1 125.7(9) . . ?
Ag5 Ag5A Se4 12(2) . . ?
Se2 Ag5A Se4 144.7(6) . . ?
Se1 Ag5A Se4 89.5(8) . . ?
Ag5 Ag5A Ag2 116(2) . . ?
Se2 Ag5A Ag2 58.1(6) . . ?
Se1 Ag5A Ag2 97.0(6) . . ?
Se4 Ag5A Ag2 121.8(5) . . ?
Ag5 Ag5A Ag6A 150(2) . . ?
Se2 Ag5A Ag6A 74.4(7) . . ?
Se1 Ag5A Ag6A 51.7(3) . . ?
Se4 Ag5A Ag6A 139.9(7) . . ?
Ag2 Ag5A Ag6A 63.0(5) . . ?
C11 Se2 Ag5A 112.3(5) . . ?
C11 Se2 Ag5 103.2(3) . . ?
Ag5A Se2 Ag5 9.1(4) . . ?
C11 Se2 Ag1 106.58(18) . . ?
Ag5A Se2 Ag1 90.0(5) . . ?
Ag5 Se2 Ag1 93.55(4) . . ?
C11 Se2 Ag2 105.51(19) . . ?
Ag5A Se2 Ag2 80.1(5) . . ?
Ag5 Se2 Ag2 81.47(4) . . ?
Ag1 Se2 Ag2 147.81(3) . . ?
Se3A Se3 Ag7A 172.7(8) . . ?
Se3A Se3 C21 76.8(7) . . ?
Ag7A Se3 C21 109.9(3) . . ?
Se3A Se3 Ag7 176.2(8) . . ?
Ag7A Se3 Ag7 7.5(2) . . ?
C21 Se3 Ag7 102.46(17) . . ?
Se3A Se3 Ag2 77.0(8) . . ?
Ag7A Se3 Ag2 97.7(2) . . ?
C21 Se3 Ag2 109.69(18) . . ?
Ag7 Se3 Ag2 99.85(3) . . ?
Se3A Se3 Ag3 87.7(8) . . ?
Ag7A Se3 Ag3 93.7(2) . . ?
C21 Se3 Ag3 99.41(17) . . ?
Ag7 Se3 Ag3 96.10(3) . . ?
Ag2 Se3 Ag3 142.61(3) . . ?
Se3 Se3A C21 82.2(7) . . ?
Se3 Se3A Ag7A 5.3(6) . . ?
C21 Se3A Ag7A 87.1(4) . . ?
Se3 Se3A Ag2 87.9(8) . . ?
C21 Se3A Ag2 113.6(4) . . ?
Ag7A Se3A Ag2 84.1(3) . . ?
Se3 Se3A Ag3 77.7(8) . . ?
C21 Se3A Ag3 98.2(4) . . ?
Ag7A Se3A Ag3 78.8(3) . . ?
Ag2 Se3A Ag3 142.9(4) . . ?
Se7A Se7 Ag6A 166.2(6) . . ?
Se7A Se7 C31 79.0(6) . . ?
Ag6A Se7 C31 114.3(3) . . ?
Se7A Se7 Ag6 174.5(6) . . ?
Ag6A Se7 Ag6 9.5(2) . . ?
C31 Se7 Ag6 104.83(19) . . ?
Se7A Se7 Ag4 74.0(5) . . ?
Ag6A Se7 Ag4 98.4(2) . . ?
C31 Se7 Ag4 103.06(16) . . ?
Ag6 Se7 Ag4 101.13(3) . . ?
Se7A Se7 Ag2 83.1(5) . . ?
Ag6A Se7 Ag2 96.0(2) . . ?
C31 Se7 Ag2 105.97(17) . . ?
Ag6 Se7 Ag2 99.38(3) . . ?
Ag4 Se7 Ag2 138.50(3) . . ?
Se7 Se7A C31 76.1(6) . . ?
Se7 Se7A Ag6A 9.2(4) . . ?
C31 Se7A Ag6A 85.1(4) . . ?
Se7 Se7A Ag4 87.5(6) . . ?
C31 Se7A Ag4 106.0(4) . . ?
Ag6A Se7A Ag4 82.7(3) . . ?
Se7 Se7A Ag2 79.2(5) . . ?
C31 Se7A Ag2 104.3(3) . . ?
Ag6A Se7A Ag2 78.8(3) . . ?
Ag4 Se7A Ag2 142.7(3) . . ?
Se6A Se6 C41 95.9(6) . . ?
Se6A Se6 Ag6 6.2(6) . . ?
C41 Se6 Ag6 102.06(19) . . ?
Se6A Se6 Ag1 83.3(5) . . ?
C41 Se6 Ag1 113.43(18) . . ?
Ag6 Se6 Ag1 81.94(3) . . ?
Se6A Se6 Ag3 79.4(5) . 7 ?
C41 Se6 Ag3 100.81(18) . 7 ?
Ag6 Se6 Ag3 77.29(2) . 7 ?
Ag1 Se6 Ag3 142.93(3) . 7 ?
Se6 Se6A Ag6 170.7(8) . . ?
Se6 Se6A C41 61.6(6) . . ?
Ag6 Se6A C41 127.5(5) . . ?
Se6 Se6A Ag6A 175.1(8) . . ?
Ag6 Se6A Ag6A 4.69(19) . . ?
C41 Se6A Ag6A 123.3(4) . . ?
Se6 Se6A Ag3 82.9(6) . 7 ?
Ag6 Se6A Ag3 93.8(3) . 7 ?
C41 Se6A Ag3 95.3(3) . 7 ?
Ag6A Se6A Ag3 96.4(3) . 7 ?
Se6 Se6A Ag1 79.2(5) . . ?
Ag6 Se6A Ag1 98.7(4) . . ?
C41 Se6A Ag1 104.4(3) . . ?
Ag6A Se6A Ag1 98.7(3) . . ?
Ag3 Se6A Ag1 142.7(3) 7 . ?
Se5A Se5 C56 97.9(7) . . ?
Se5A Se5 Ag7 5.0(6) . . ?
C56 Se5 Ag7 102.5(2) . . ?
Se5A Se5 Ag4 77.1(6) . . ?
C56 Se5 Ag4 101.25(17) . . ?
Ag7 Se5 Ag4 74.70(2) . . ?
Se5A Se5 Ag1 83.2(6) . 7 ?
C56 Se5 Ag1 109.17(17) . 7 ?
Ag7 Se5 Ag1 83.28(3) . 7 ?
Ag4 Se5 Ag1 145.64(3) . 7 ?
Se5 Se5A Ag7 172.8(9) . . ?
Se5 Se5A C56 61.7(6) . . ?
Ag7 Se5A C56 125.1(5) . . ?
Se5 Se5A Ag7A 175.6(9) . . ?
Ag7 Se5A Ag7A 2.80(19) . . ?
C56 Se5A Ag7A 122.4(5) . . ?
Se5 Se5A Ag4 86.4(7) . . ?
Ag7 Se5A Ag4 90.1(3) . . ?
C56 Se5A Ag4 96.9(3) . . ?
Ag7A Se5A Ag4 91.3(3) . . ?
Se5 Se5A Ag1 80.8(6) . 7 ?
Ag7 Se5A Ag1 99.2(4) . 7 ?
C56 Se5A Ag1 101.5(3) . 7 ?
Ag7A Se5A Ag1 99.3(3) . 7 ?
Ag4 Se5A Ag1 149.0(4) . 7 ?
C61 Se4 Ag5 101.7(2) . . ?
C61 Se4 Ag3 94.40(16) . . ?
Ag5 Se4 Ag3 95.57(4) . . ?
C61 Se4 Ag4 119.21(16) . 7 ?
Ag5 Se4 Ag4 85.73(4) . 7 ?
Ag3 Se4 Ag4 145.48(3) . 7 ?
C61 Se4 Ag5A 104.3(4) . . ?
Ag5 Se4 Ag5A 2.6(4) . . ?
Ag3 Se4 Ag5A 95.5(3) . . ?
Ag4 Se4 Ag5A 84.4(4) 7 . ?
Ag6A Se1 Ag6A 180.000(1) . 7 ?
Ag6A Se1 Ag5A 76.3(6) . . ?
Ag6A Se1 Ag5A 103.7(6) 7 . ?
Ag6A Se1 Ag5A 103.7(6) . 7 ?
Ag6A Se1 Ag5A 76.3(6) 7 7 ?
Ag5A Se1 Ag5A 180.0(12) . 7 ?
Ag6A Se1 Ag7A 95.3(2) . 7 ?
Ag6A Se1 Ag7A 84.7(2) 7 7 ?
Ag5A Se1 Ag7A 93.7(4) . 7 ?
Ag5A Se1 Ag7A 86.3(4) 7 7 ?
Ag6A Se1 Ag7A 84.7(2) . . ?
Ag6A Se1 Ag7A 95.3(2) 7 . ?
Ag5A Se1 Ag7A 86.3(4) . . ?
Ag5A Se1 Ag7A 93.7(4) 7 . ?
Ag7A Se1 Ag7A 180.0(2) 7 . ?
Ag6A Se1 Ag7 95.14(18) . 7 ?
Ag6A Se1 Ag7 84.86(18) 7 7 ?
Ag5A Se1 Ag7 78.6(4) . 7 ?
Ag5A Se1 Ag7 101.4(4) 7 7 ?
Ag7A Se1 Ag7 15.52(17) 7 7 ?
Ag7A Se1 Ag7 164.48(17) . 7 ?
Ag6A Se1 Ag7 84.86(18) . . ?
Ag6A Se1 Ag7 95.14(18) 7 . ?
Ag5A Se1 Ag7 101.4(4) . . ?
Ag5A Se1 Ag7 78.6(4) 7 . ?
Ag7A Se1 Ag7 164.48(17) 7 . ?
Ag7A Se1 Ag7 15.52(17) . . ?
Ag7 Se1 Ag7 180.00(2) 7 . ?
Ag6A Se1 Ag5 87.03(15) . . ?
Ag6A Se1 Ag5 92.97(15) 7 . ?
Ag5A Se1 Ag5 11.0(6) . . ?
Ag5A Se1 Ag5 169.0(6) 7 . ?
Ag7A Se1 Ag5 95.53(18) 7 . ?
Ag7A Se1 Ag5 84.48(18) . . ?
Ag7 Se1 Ag5 80.02(3) 7 . ?
Ag7 Se1 Ag5 99.98(3) . . ?
Ag6A Se1 Ag5 92.97(15) . 7 ?
Ag6A Se1 Ag5 87.03(15) 7 7 ?
Ag5A Se1 Ag5 169.0(6) . 7 ?
Ag5A Se1 Ag5 11.0(6) 7 7 ?
Ag7A Se1 Ag5 84.47(18) 7 7 ?
Ag7A Se1 Ag5 95.52(18) . 7 ?
Ag7 Se1 Ag5 99.98(3) 7 7 ?
Ag7 Se1 Ag5 80.02(3) . 7 ?
Ag5 Se1 Ag5 180.0 . 7 ?
Ag6A Se1 Ag6 18.59(18) . . ?
Ag6A Se1 Ag6 161.41(18) 7 . ?
Ag5A Se1 Ag6 76.6(5) . . ?
Ag5A Se1 Ag6 103.4(5) 7 . ?
Ag7A Se1 Ag6 76.71(15) 7 . ?
Ag7A Se1 Ag6 103.29(15) . . ?
Ag7 Se1 Ag6 76.928(18) 7 . ?
Ag7 Se1 Ag6 103.072(18) . . ?
Ag5 Se1 Ag6 87.59(3) . . ?
Ag5 Se1 Ag6 92.41(3) 7 . ?
Ag6A Se1 Ag6 161.41(18) . 7 ?
Ag6A Se1 Ag6 18.59(18) 7 7 ?
Ag5A Se1 Ag6 103.4(5) . 7 ?
Ag5A Se1 Ag6 76.6(5) 7 7 ?
Ag7A Se1 Ag6 103.29(15) 7 7 ?
Ag7A Se1 Ag6 76.71(15) . 7 ?
Ag7 Se1 Ag6 103.072(18) 7 7 ?
Ag7 Se1 Ag6 76.928(18) . 7 ?
Ag5 Se1 Ag6 92.41(3) . 7 ?
Ag5 Se1 Ag6 87.59(3) 7 7 ?
Ag6 Se1 Ag6 180.0 . 7 ?
C131 P2 C111 106.4(3) . . ?
C131 P2 C126 103.0(3) . . ?
C111 P2 C126 101.6(3) . . ?
C131 P2 Ag2 113.4(2) . . ?
C111 P2 Ag2 114.9(2) . . ?
C126 P2 Ag2 116.1(2) . . ?
C231 P4 C221 104.2(3) . . ?
C231 P4 C211 103.7(3) . . ?
C221 P4 C211 103.1(3) . . ?
C231 P4 Ag4 113.49(18) . . ?
C221 P4 Ag4 111.0(2) . . ?
C211 P4 Ag4 119.7(2) . . ?
C321 P1 C311 106.0(2) . . ?
C321 P1 C331 104.0(3) . . ?
C311 P1 C331 102.6(3) . . ?
C321 P1 Ag1 113.65(18) . . ?
C311 P1 Ag1 116.33(19) . . ?
C331 P1 Ag1 112.86(17) . . ?
C411 P3 C431 102.5(3) . . ?
C411 P3 C421 103.6(3) . . ?
C431 P3 C421 102.9(3) . . ?
C411 P3 Ag3 114.8(2) . . ?
C431 P3 Ag3 115.65(19) . . ?
C421 P3 Ag3 115.6(2) . . ?
C2 C1 C6 120.9(10) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.5 . . ?
C3 C2 C1 120.7(10) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C4 C3 C2 120.1(9) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.7(9) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 119.8(8) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 117.7(8) . . ?
C1 C6 Sn1 120.5(6) . . ?
C5 C6 Sn1 121.7(6) . . ?
C8 C7 C8 117.3(11) 2_655 . ?
C8 C7 Sn1 121.4(5) 2_655 . ?
C8 C7 Sn1 121.4(5) . . ?
C9 C8 C7 121.0(9) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C10 C9 C8 120.4(10) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C9 119.8(13) . 2_655 ?
C9 C10 H10 120.1 . . ?
C9 C10 H10 120.1 2_655 . ?
C12 C11 C16 120.1(7) . . ?
C12 C11 Se2 118.6(6) . . ?
C16 C11 Se2 121.2(6) . . ?
C13 C12 C11 119.6(8) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C12 C13 C14 119.9(9) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 121.2(8) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C16 119.9(8) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C11 C16 C15 119.2(8) . . ?
C11 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
C22 C21 C26 119.1(5) . . ?
C22 C21 Se3A 106.9(5) . . ?
C26 C21 Se3A 129.9(5) . . ?
C22 C21 Se3 121.7(5) . . ?
C26 C21 Se3 119.1(4) . . ?
Se3A C21 Se3 21.0(3) . . ?
C21 C22 C23 119.6(6) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C24 C23 C22 120.5(7) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 119.4(6) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 120.5(6) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C21 C26 C25 120.8(6) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C36 C31 C32 120.3(6) . . ?
C36 C31 Se7 120.3(5) . . ?
C32 C31 Se7 119.4(5) . . ?
C36 C31 Se7A 145.0(6) . . ?
C32 C31 Se7A 94.6(5) . . ?
Se7 C31 Se7A 24.9(3) . . ?
C31 C32 C33 119.9(6) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 119.8(7) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C33 C34 C35 119.5(6) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C36 C35 C34 120.4(6) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C31 C36 C35 120.0(6) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C42 C41 C46 119.2(6) . . ?
C42 C41 Se6 119.6(5) . . ?
C46 C41 Se6 120.8(5) . . ?
C42 C41 Se6A 130.7(5) . . ?
C46 C41 Se6A 108.5(5) . . ?
Se6 C41 Se6A 22.4(3) . . ?
C43 C42 C41 119.9(7) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C44 C43 C42 121.4(8) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
C43 C44 C45 118.8(7) . . ?
C43 C44 H44 120.6 . . ?
C45 C44 H44 120.6 . . ?
C46 C45 C44 120.5(7) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.7 . . ?
C45 C46 C41 120.2(6) . . ?
C45 C46 H46 119.9 . . ?
C41 C46 H46 119.9 . . ?
C52 C51 C56 118.8(7) . . ?
C52 C51 H51 120.6 . . ?
C56 C51 H51 120.6 . . ?
C53 C52 C51 121.2(7) . . ?
C53 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C54 C53 C52 120.4(6) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 119.8(7) . . ?
C53 C54 H54 120.1 . . ?
C55 C54 H54 120.1 . . ?
C56 C55 C54 119.4(6) . . ?
C56 C55 H55 120.3 . . ?
C54 C55 H55 120.3 . . ?
C55 C56 C51 120.4(6) . . ?
C55 C56 Se5 122.8(5) . . ?
C51 C56 Se5 116.8(5) . . ?
C55 C56 Se5A 102.4(5) . . ?
C51 C56 Se5A 137.1(6) . . ?
Se5 C56 Se5A 20.5(3) . . ?
C66 C61 C62 119.5(6) . . ?
C66 C61 Se4 119.9(5) . . ?
C62 C61 Se4 120.4(5) . . ?
C63 C62 C61 120.1(6) . . ?
C63 C62 H62 120.0 . . ?
C61 C62 H62 119.9 . . ?
C62 C63 C64 120.5(6) . . ?
C62 C63 H63 119.7 . . ?
C64 C63 H63 119.7 . . ?
C65 C64 C63 119.3(6) . . ?
C65 C64 H64 120.4 . . ?
C63 C64 H64 120.4 . . ?
C64 C65 C66 120.7(6) . . ?
C64 C65 H65 119.7 . . ?
C66 C65 H65 119.7 . . ?
C61 C66 C65 119.9(6) . . ?
C61 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
C112 C111 C116 118.6(6) . . ?
C112 C111 P2 123.2(5) . . ?
C116 C111 P2 118.2(5) . . ?
C113 C112 C111 120.1(8) . . ?
C113 C112 H112 119.9 . . ?
C111 C112 H112 119.9 . . ?
C112 C113 C114 119.4(8) . . ?
C112 C113 H113 120.3 . . ?
C114 C113 H113 120.3 . . ?
C115 C114 C113 120.3(8) . . ?
C115 C114 H114 119.8 . . ?
C113 C114 H114 119.9 . . ?
C114 C115 C116 120.5(9) . . ?
C114 C115 H115 119.8 . . ?
C116 C115 H115 119.7 . . ?
C111 C116 C115 121.0(8) . . ?
C111 C116 H116 119.5 . . ?
C115 C116 H116 119.5 . . ?
C126 C121 C122 121.5(7) . . ?
C126 C121 H121 119.2 . . ?
C122 C121 H121 119.2 . . ?
C123 C122 C121 119.7(8) . . ?
C123 C122 H122 120.1 . . ?
C121 C122 H122 120.1 . . ?
C124 C123 C122 119.8(7) . . ?
C124 C123 H123 120.1 . . ?
C122 C123 H123 120.1 . . ?
C123 C124 C125 120.2(7) . . ?
C123 C124 H124 119.9 . . ?
C125 C124 H124 119.9 . . ?
C126 C125 C124 119.7(7) . . ?
C126 C125 H125 120.2 . . ?
C124 C125 H125 120.2 . . ?
C121 C126 C125 119.0(6) . . ?
C121 C126 P2 117.4(5) . . ?
C125 C126 P2 123.5(5) . . ?
C132 C131 C136 118.0(7) . . ?
C132 C131 P2 124.3(6) . . ?
C136 C131 P2 117.6(5) . . ?
C131 C132 C133 120.4(8) . . ?
C131 C132 H132 119.8 . . ?
C133 C132 H132 119.8 . . ?
C134 C133 C132 120.4(8) . . ?
C134 C133 H133 119.8 . . ?
C132 C133 H133 119.8 . . ?
C135 C134 C133 119.3(8) . . ?
C135 C134 H134 120.4 . . ?
C133 C134 H134 120.4 . . ?
C134 C135 C136 121.2(8) . . ?
C134 C135 H135 119.4 . . ?
C136 C135 H135 119.4 . . ?
C135 C136 C131 120.7(7) . . ?
C135 C136 H136 119.7 . . ?
C131 C136 H136 119.7 . . ?
C216 C211 C212 118.1(7) . . ?
C216 C211 P4 123.2(5) . . ?
C212 C211 P4 118.7(5) . . ?
C211 C212 C213 121.7(7) . . ?
C211 C212 H212 119.2 . . ?
C213 C212 H212 119.2 . . ?
C214 C213 C212 119.9(8) . . ?
C214 C213 H213 120.0 . . ?
C212 C213 H213 120.0 . . ?
C213 C214 C215 119.9(8) . . ?
C213 C214 H214 120.0 . . ?
C215 C214 H214 120.0 . . ?
C214 C215 C216 119.8(8) . . ?
C214 C215 H215 120.1 . . ?
C216 C215 H215 120.1 . . ?
C211 C216 C215 120.6(8) . . ?
C211 C216 H216 119.7 . . ?
C215 C216 H216 119.7 . . ?
C226 C221 C222 118.4(6) . . ?
C226 C221 P4 117.2(5) . . ?
C222 C221 P4 124.4(5) . . ?
C221 C222 C223 120.1(8) . . ?
C221 C222 H222 119.9 . . ?
C223 C222 H222 120.0 . . ?
C224 C223 C222 120.2(8) . . ?
C224 C223 H223 119.9 . . ?
C222 C223 H223 119.9 . . ?
C223 C224 C225 120.0(8) . . ?
C223 C224 H224 120.0 . . ?
C225 C224 H224 120.0 . . ?
C224 C225 C226 120.5(9) . . ?
C224 C225 H225 119.7 . . ?
C226 C225 H225 119.7 . . ?
C225 C226 C221 120.7(8) . . ?
C225 C226 H226 119.6 . . ?
C221 C226 H226 119.6 . . ?
C236 C231 C232 119.0(6) . . ?
C236 C231 P4 118.5(5) . . ?
C232 C231 P4 122.5(4) . . ?
C231 C232 C233 120.2(6) . . ?
C231 C232 H232 119.9 . . ?
C233 C232 H232 119.9 . . ?
C234 C233 C232 120.3(7) . . ?
C234 C233 H233 119.8 . . ?
C232 C233 H233 119.8 . . ?
C233 C234 C235 119.8(7) . . ?
C233 C234 H234 120.1 . . ?
C235 C234 H234 120.1 . . ?
C234 C235 C236 120.7(7) . . ?
C234 C235 H235 119.6 . . ?
C236 C235 H235 119.6 . . ?
C235 C236 C231 119.9(6) . . ?
C235 C236 H236 120.0 . . ?
C231 C236 H236 120.1 . . ?
C312 C311 C316 119.3(6) . . ?
C312 C311 P1 118.2(4) . . ?
C316 C311 P1 122.4(5) . . ?
C311 C312 C313 120.0(6) . . ?
C311 C312 H312 120.0 . . ?
C313 C312 H312 120.0 . . ?
C314 C313 C312 121.2(7) . . ?
C314 C313 H313 119.4 . . ?
C312 C313 H313 119.4 . . ?
C313 C314 C315 119.4(7) . . ?
C313 C314 H314 120.3 . . ?
C315 C314 H314 120.3 . . ?
C314 C315 C316 120.2(7) . . ?
C314 C315 H315 119.9 . . ?
C316 C315 H315 119.9 . . ?
C315 C316 C311 119.7(6) . . ?
C315 C316 H316 120.2 . . ?
C311 C316 H316 120.1 . . ?
C322 C321 C326 118.9(6) . . ?
C322 C321 P1 123.5(5) . . ?
C326 C321 P1 117.5(4) . . ?
C321 C322 C323 120.1(6) . . ?
C321 C322 H322 120.0 . . ?
C323 C322 H322 120.0 . . ?
C324 C323 C322 120.5(6) . . ?
C324 C323 H323 119.8 . . ?
C322 C323 H323 119.8 . . ?
C325 C324 C323 119.0(7) . . ?
C325 C324 H324 120.5 . . ?
C323 C324 H324 120.5 . . ?
C324 C325 C326 121.2(7) . . ?
C324 C325 H325 119.4 . . ?
C326 C325 H325 119.4 . . ?
C325 C326 C321 120.3(6) . . ?
C325 C326 H326 119.9 . . ?
C321 C326 H326 119.8 . . ?
C332 C331 C336 119.5(6) . . ?
C332 C331 P1 123.9(5) . . ?
C336 C331 P1 116.7(5) . . ?
C331 C332 C333 119.8(7) . . ?
C331 C332 H332 120.1 . . ?
C333 C332 H332 120.1 . . ?
C334 C333 C332 121.2(7) . . ?
C334 C333 H333 119.4 . . ?
C332 C333 H333 119.4 . . ?
C333 C334 C335 118.9(7) . . ?
C333 C334 H334 120.6 . . ?
C335 C334 H334 120.5 . . ?
C334 C335 C336 121.7(7) . . ?
C334 C335 H335 119.2 . . ?
C336 C335 H335 119.1 . . ?
C331 C336 C335 118.9(7) . . ?
C331 C336 H336 120.5 . . ?
C335 C336 H336 120.5 . . ?
C416 C411 C412 118.3(6) . . ?
C416 C411 P3 123.9(5) . . ?
C412 C411 P3 117.8(5) . . ?
C411 C412 C413 121.1(7) . . ?
C411 C412 H412 119.5 . . ?
C413 C412 H412 119.5 . . ?
C414 C413 C412 119.7(8) . . ?
C414 C413 H413 120.1 . . ?
C412 C413 H413 120.1 . . ?
C413 C414 C415 120.7(8) . . ?
C413 C414 H414 119.7 . . ?
C415 C414 H414 119.7 . . ?
C414 C415 C416 119.5(9) . . ?
C414 C415 H415 120.3 . . ?
C416 C415 H415 120.3 . . ?
C411 C416 C415 120.7(7) . . ?
C411 C416 H416 119.6 . . ?
C415 C416 H416 119.6 . . ?
C426 C421 C422 118.7(6) . . ?
C426 C421 P3 118.0(5) . . ?
C422 C421 P3 123.3(5) . . ?
C421 C422 C423 120.5(7) . . ?
C421 C422 H422 119.8 . . ?
C423 C422 H422 119.8 . . ?
C424 C423 C422 120.1(7) . . ?
C424 C423 H423 120.0 . . ?
C422 C423 H423 120.0 . . ?
C423 C424 C425 119.6(7) . . ?
C423 C424 H424 120.2 . . ?
C425 C424 H424 120.2 . . ?
C424 C425 C426 120.0(7) . . ?
C424 C425 H425 120.0 . . ?
C426 C425 H425 120.0 . . ?
C421 C426 C425 121.1(7) . . ?
C421 C426 H426 119.5 . . ?
C425 C426 H426 119.4 . . ?
C432 C431 C436 118.0(5) . . ?
C432 C431 P3 123.8(5) . . ?
C436 C431 P3 118.3(5) . . ?
C431 C432 C433 121.2(7) . . ?
C431 C432 H432 119.4 . . ?
C433 C432 H432 119.4 . . ?
C434 C433 C432 119.9(7) . . ?
C434 C433 H433 120.1 . . ?
C432 C433 H433 120.1 . . ?
C435 C434 C433 119.6(6) . . ?
C435 C434 H434 120.2 . . ?
C433 C434 H434 120.2 . . ?
C434 C435 C436 120.9(7) . . ?
C434 C435 H435 119.5 . . ?
C436 C435 H435 119.5 . . ?
C431 C436 C435 120.3(7) . . ?
C431 C436 H436 119.8 . . ?
C435 C436 H436 119.8 . . ?
C514 O1 C511 108.4(9) . . ?
O1 C511 C512 106.1(10) . . ?
O1 C511 H51A 110.5 . . ?
C512 C511 H51A 110.5 . . ?
O1 C511 H51B 110.5 . . ?
C512 C511 H51B 110.5 . . ?
H51A C511 H51B 108.7 . . ?
C513 C512 C511 105.2(11) . . ?
C513 C512 H51C 110.7 . . ?
C511 C512 H51C 110.7 . . ?
C513 C512 H51D 110.7 . . ?
C511 C512 H51D 110.7 . . ?
H51C C512 H51D 108.8 . . ?
C512 C513 C514 107.8(11) . . ?
C512 C513 H51E 110.1 . . ?
C514 C513 H51E 110.1 . . ?
C512 C513 H51F 110.1 . . ?
C514 C513 H51F 110.2 . . ?
H51E C513 H51F 108.5 . . ?
O1 C514 C513 108.6(10) . . ?
O1 C514 H51G 109.9 . . ?
C513 C514 H51G 109.9 . . ?
O1 C514 H51H 110.0 . . ?
C513 C514 H51H 110.0 . . ?
H51G C514 H51H 108.3 . . ?
C521 O2 C524 105(2) . . ?
O2 C521 C522 108.0(17) . . ?
O2 C521 H52A 110.1 . . ?
C522 C521 H52A 110.1 . . ?
O2 C521 H52B 110.1 . . ?
C522 C521 H52B 110.1 . . ?
H52A C521 H52B 108.4 . . ?
C523 C522 C521 100.4(17) . . ?
C523 C522 H52C 111.7 . . ?
C521 C522 H52C 111.7 . . ?
C523 C522 H52D 111.7 . . ?
C521 C522 H52D 111.7 . . ?
H52C C522 H52D 109.5 . . ?
C524 C523 C522 122(3) . . ?
C524 C523 H52E 106.9 . . ?
C522 C523 H52E 106.9 . . ?
C524 C523 H52F 106.8 . . ?
C522 C523 H52F 106.9 . . ?
H52E C523 H52F 106.7 . . ?
C523 C524 O2 100.0(18) . . ?
C523 C524 H52G 111.9 . . ?
O2 C524 H52G 111.8 . . ?
C523 C524 H52H 111.7 . . ?
O2 C524 H52H 111.7 . . ?
H52G C524 H52H 109.5 . . ?
C534 O3 C531 105.5(10) . . ?
C532 C531 O3 109.2(11) . . ?
C532 C531 H53A 109.9 . . ?
O3 C531 H53A 109.9 . . ?
C532 C531 H53B 109.8 . . ?
O3 C531 H53B 109.8 . . ?
H53A C531 H53B 108.3 . . ?
C531 C532 C533 107.2(12) . . ?
C531 C532 H53C 110.3 . . ?
C533 C532 H53C 110.3 . . ?
C531 C532 H53D 110.2 . . ?
C533 C532 H53D 110.3 . . ?
H53C C532 H53D 108.5 . . ?
C532 C533 C534 106.9(11) . . ?
C532 C533 H53E 110.3 . . ?
C534 C533 H53E 110.4 . . ?
C532 C533 H53F 110.3 . . ?
C534 C533 H53F 110.3 . . ?
H53E C533 H53F 108.6 . . ?
O3 C534 C533 109.3(12) . . ?
O3 C534 H53G 109.9 . . ?
C533 C534 H53G 109.8 . . ?
O3 C534 H53H 109.8 . . ?
C533 C534 H53H 109.8 . . ?
H53G C534 H53H 108.3 . . ?
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
Sn1 C6 2.140(7) 2_655 ?
Sn1 C6 2.140(7) . ?
Sn1 C7 2.144(11) . ?
Sn1 Cl1 2.5509(17) 2_655 ?
Sn1 Cl1 2.5509(17) . ?
Ag2 P2 2.4485(17) . ?
Ag2 Se3A 2.631(9) . ?
Ag2 Se3 2.6985(8) . ?
Ag2 Se2 2.7235(8) . ?
Ag2 Se7 2.7266(8) . ?
Ag2 Se7A 2.756(8) . ?
Ag2 Ag5A 3.16(3) . ?
Ag2 Ag6A 3.365(8) . ?
Ag4 P4 2.4728(14) . ?
Ag4 Se7A 2.560(8) . ?
Ag4 Se5A 2.653(9) . ?
Ag4 Se7 2.6603(7) . ?
Ag4 Se5 2.7169(8) . ?
Ag4 Se4 2.8518(8) 7 ?
Ag4 Ag7 3.1789(8) . ?
Ag4 Ag6A 3.366(7) . ?
Ag1 P1 2.4754(14) . ?
Ag1 Se2 2.6874(8) . ?
Ag1 Se6 2.7320(8) . ?
Ag1 Se6A 2.762(8) . ?
Ag1 Se5 2.7646(8) 7 ?
Ag1 Se5A 2.781(8) 7 ?
Ag3 P3 2.5109(16) . ?
Ag3 Se6A 2.718(8) 7 ?
Ag3 Se4 2.7168(7) . ?
Ag3 Se3 2.7210(8) . ?
Ag3 Se6 2.7444(7) 7 ?
Ag3 Se3A 2.783(10) . ?
Ag3 Ag6 3.2856(8) 7 ?
Ag7 Ag7A 0.752(8) . ?
Ag7 Se5A 1.748(10) . ?
Ag7 Se5 2.5161(10) . ?
Ag7 Se3 2.5549(10) . ?
Ag7 Se1 2.8088(5) . ?
Ag7A Se3 1.859(8) . ?
Ag7A Se5A 2.493(12) . ?
Ag7A Se3A 2.557(13) . ?
Ag7A Se1 2.686(7) . ?
Ag6 Ag6A 0.900(8) . ?
Ag6 Se6A 1.677(10) . ?
Ag6 Se6 2.5086(10) . ?
Ag6 Se7 2.5411(10) . ?
Ag6 Se1 2.8221(6) . ?
Ag6 Ag3 3.2856(8) 7 ?
Ag6A Se7 1.710(8) . ?
Ag6A Se7A 2.537(13) . ?
Ag6A Se6A 2.560(13) . ?
Ag6A Se1 2.649(7) . ?
Ag6A Ag5A 3.28(2) . ?
Ag5 Ag5A 0.55(2) . ?
Ag5 Se4 2.518(2) . ?
Ag5 Se2 2.543(2) . ?
Ag5 Se1 2.8144(9) . ?
Ag5A Se2 2.14(3) . ?
Ag5A Se1 2.658(18) . ?
Ag5A Se4 3.05(3) . ?
Se2 C11 1.937(7) . ?
Se3 Se3A 0.702(10) . ?
Se3 C21 1.939(6) . ?
Se3A C21 1.905(10) . ?
Se7 Se7A 0.844(10) . ?
Se7 C31 1.948(6) . ?
Se7A C31 1.969(10) . ?
Se6 Se6A 0.839(10) . ?
Se6 C41 1.935(6) . ?
Se6 Ag3 2.7444(7) 7 ?
Se6A C41 2.187(11) . ?
Se6A Ag3 2.718(8) 7 ?
Se5 Se5A 0.772(10) . ?
Se5 C56 1.942(6) . ?
Se5 Ag1 2.7646(8) 7 ?
Se5A C56 2.186(10) . ?
Se5A Ag1 2.781(8) 7 ?
Se4 C61 1.936(6) . ?
Se4 Ag4 2.8518(8) 7 ?
Se1 Ag6A 2.649(7) 7 ?
Se1 Ag5A 2.658(18) 7 ?
Se1 Ag7A 2.686(7) 7 ?
Se1 Ag7 2.8088(5) 7 ?
Se1 Ag5 2.8144(9) 7 ?
Se1 Ag6 2.8221(6) 7 ?
P2 C131 1.819(7) . ?
P2 C111 1.830(6) . ?
P2 C126 1.838(6) . ?
P4 C231 1.830(6) . ?
P4 C221 1.832(6) . ?
P4 C211 1.833(6) . ?
P1 C321 1.830(6) . ?
P1 C311 1.834(6) . ?
P1 C331 1.837(6) . ?
P3 C411 1.822(6) . ?
P3 C431 1.827(5) . ?
P3 C421 1.837(6) . ?
C1 C2 1.353(13) . ?
C1 C6 1.390(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.353(14) . ?
C2 H2 0.9500 . ?
C3 C4 1.345(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(11) . ?
C5 H5 0.9500 . ?
C7 C8 1.380(10) 2_655 ?
C7 C8 1.380(10) . ?
C8 C9 1.376(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.352(12) . ?
C9 H9 0.9500 . ?
C10 C9 1.352(12) 2_655 ?
C10 H10 0.9500 . ?
C11 C12 1.376(12) . ?
C11 C16 1.391(11) . ?
C12 C13 1.373(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(13) . ?
C13 H13 0.9500 . ?
C14 C15 1.345(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(10) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C22 1.368(9) . ?
C21 C26 1.380(8) . ?
C22 C23 1.404(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(10) . ?
C23 H23 0.9500 . ?
C24 C25 1.355(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(8) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.366(9) . ?
C31 C32 1.375(9) . ?
C32 C33 1.395(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.373(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.381(9) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.376(9) . ?
C41 C46 1.393(8) . ?
C42 C43 1.372(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.372(11) . ?
C43 H43 0.9500 . ?
C44 C45 1.383(10) . ?
C44 H44 0.9500 . ?
C45 C46 1.370(9) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.381(10) . ?
C51 C56 1.386(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.357(11) . ?
C52 H52 0.9500 . ?
C53 C54 1.362(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.401(9) . ?
C54 H54 0.9500 . ?
C55 C56 1.371(9) . ?
C55 H55 0.9500 . ?
C61 C66 1.379(9) . ?
C61 C62 1.382(9) . ?
C62 C63 1.380(9) . ?
C62 H62 0.9500 . ?
C63 C64 1.384(9) . ?
C63 H63 0.9500 . ?
C64 C65 1.366(9) . ?
C64 H64 0.9500 . ?
C65 C66 1.391(9) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C111 C112 1.382(10) . ?
C111 C116 1.389(9) . ?
C112 C113 1.403(11) . ?
C112 H112 0.9500 . ?
C113 C114 1.399(14) . ?
C113 H113 0.9500 . ?
C114 C115 1.341(13) . ?
C114 H114 0.9500 . ?
C115 C116 1.387(10) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C126 1.354(10) . ?
C121 C122 1.376(10) . ?
C121 H121 0.9500 . ?
C122 C123 1.369(11) . ?
C122 H122 0.9500 . ?
C123 C124 1.354(11) . ?
C123 H123 0.9500 . ?
C124 C125 1.403(10) . ?
C124 H124 0.9500 . ?
C125 C126 1.372(9) . ?
C125 H125 0.9500 . ?
C131 C132 1.384(9) . ?
C131 C136 1.394(9) . ?
C132 C133 1.393(11) . ?
C132 H132 0.9500 . ?
C133 C134 1.376(12) . ?
C133 H133 0.9500 . ?
C134 C135 1.361(12) . ?
C134 H134 0.9500 . ?
C135 C136 1.374(10) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
C211 C216 1.357(9) . ?
C211 C212 1.365(9) . ?
C212 C213 1.385(11) . ?
C212 H212 0.9500 . ?
C213 C214 1.351(12) . ?
C213 H213 0.9500 . ?
C214 C215 1.356(12) . ?
C214 H214 0.9500 . ?
C215 C216 1.411(11) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C221 C226 1.368(9) . ?
C221 C222 1.386(8) . ?
C222 C223 1.382(11) . ?
C222 H222 0.9500 . ?
C223 C224 1.350(14) . ?
C223 H223 0.9500 . ?
C224 C225 1.358(14) . ?
C224 H224 0.9500 . ?
C225 C226 1.366(10) . ?
C225 H225 0.9500 . ?
C226 H226 0.9500 . ?
C231 C236 1.383(8) . ?
C231 C232 1.388(8) . ?
C232 C233 1.388(10) . ?
C232 H232 0.9500 . ?
C233 C234 1.361(10) . ?
C233 H233 0.9500 . ?
C234 C235 1.376(10) . ?
C234 H234 0.9500 . ?
C235 C236 1.382(9) . ?
C235 H235 0.9500 . ?
C236 H236 0.9500 . ?
C311 C312 1.369(9) . ?
C311 C316 1.387(8) . ?
C312 C313 1.372(10) . ?
C312 H312 0.9500 . ?
C313 C314 1.353(10) . ?
C313 H313 0.9500 . ?
C314 C315 1.376(11) . ?
C314 H314 0.9500 . ?
C315 C316 1.379(9) . ?
C315 H315 0.9500 . ?
C316 H316 0.9500 . ?
C321 C322 1.382(7) . ?
C321 C326 1.385(8) . ?
C322 C323 1.394(9) . ?
C322 H322 0.9500 . ?
C323 C324 1.375(10) . ?
C323 H323 0.9500 . ?
C324 C325 1.372(9) . ?
C324 H324 0.9500 . ?
C325 C326 1.374(9) . ?
C325 H325 0.9500 . ?
C326 H326 0.9500 . ?
C331 C332 1.379(9) . ?
C331 C336 1.376(8) . ?
C332 C333 1.373(10) . ?
C332 H332 0.9500 . ?
C333 C334 1.361(11) . ?
C333 H333 0.9500 . ?
C334 C335 1.351(11) . ?
C334 H334 0.9500 . ?
C335 C336 1.388(10) . ?
C335 H335 0.9500 . ?
C336 H336 0.9500 . ?
C411 C416 1.369(9) . ?
C411 C412 1.379(8) . ?
C412 C413 1.395(10) . ?
C412 H412 0.9500 . ?
C413 C414 1.354(13) . ?
C413 H413 0.9500 . ?
C414 C415 1.366(13) . ?
C414 H414 0.9500 . ?
C415 C416 1.407(11) . ?
C415 H415 0.9500 . ?
C416 H416 0.9500 . ?
C421 C426 1.365(9) . ?
C421 C422 1.379(8) . ?
C422 C423 1.388(10) . ?
C422 H422 0.9500 . ?
C423 C424 1.368(11) . ?
C423 H423 0.9500 . ?
C424 C425 1.370(10) . ?
C424 H424 0.9500 . ?
C425 C426 1.382(9) . ?
C425 H425 0.9500 . ?
C426 H426 0.9500 . ?
C431 C432 1.381(9) . ?
C431 C436 1.385(9) . ?
C432 C433 1.382(8) . ?
C432 H432 0.9500 . ?
C433 C434 1.379(11) . ?
C433 H433 0.9500 . ?
C434 C435 1.351(11) . ?
C434 H434 0.9500 . ?
C435 C436 1.391(9) . ?
C435 H435 0.9500 . ?
C436 H436 0.9500 . ?
O1 C514 1.384(13) . ?
O1 C511 1.424(13) . ?
C511 C512 1.470(16) . ?
C511 H51A 0.9900 . ?
C511 H51B 0.9900 . ?
C512 C513 1.411(16) . ?
C512 H51C 0.9900 . ?
C512 H51D 0.9900 . ?
C513 C514 1.420(15) . ?
C513 H51E 0.9900 . ?
C513 H51F 0.9900 . ?
C514 H51G 0.9900 . ?
C514 H51H 0.9900 . ?
O2 C521 1.34(2) . ?
O2 C524 1.48(3) . ?
C521 C522 1.39(2) . ?
C521 H52A 0.9900 . ?
C521 H52B 0.9900 . ?
C522 C523 1.34(3) . ?
C522 H52C 0.9900 . ?
C522 H52D 0.9900 . ?
C523 H52E 0.9900 . ?
C523 H52F 0.9900 . ?
C524 H52G 0.9900 . ?
C524 H52H 0.9900 . ?
O3 C534 1.391(14) . ?
O3 C531 1.453(16) . ?
C531 C532 1.410(17) . ?
C531 H53A 0.9900 . ?
C531 H53B 0.9900 . ?
C532 C533 1.422(16) . ?
C532 H53C 0.9900 . ?
C532 H53D 0.9900 . ?
C533 C534 1.457(17) . ?
C533 H53E 0.9900 . ?
C533 H53F 0.9900 . ?
C534 H53G 0.9900 . ?
C534 H53H 0.9900 . ?
