#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:07:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179094 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/56/4305681.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_4305681
loop_
_publ_author_name
'Philip W. Miller'
'Mark Nieuwenhuyzen'
'Jonathan P. H. Charmant'
'Stuart L. James'
_publ_section_title
;
The Cyclic "Silver-Diphos" Motif [Ag2(μ-diphosphine)2]2+ as a Synthon
for Building up Larger Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8367
_journal_page_last               8379
_journal_paper_doi               10.1021/ic800664f
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C122 H95.75 O0.75 P8 Sn'
_chemical_formula_weight         1940.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.612(3)
_cell_angle_beta                 90.887(4)
_cell_angle_gamma                101.688(3)
_cell_formula_units_Z            4
_cell_length_a                   16.871(3)
_cell_length_b                   22.880(4)
_cell_length_c                   28.654(5)
_cell_measurement_reflns_used    997
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.21
_cell_measurement_theta_min      2.61
_cell_volume                     10020(3)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.856
_diffrn_measured_fraction_theta_max 0.856
_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  0.0620
_diffrn_reflns_av_sigmaI/netI    0.1146
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            114597
_diffrn_reflns_theta_full        28.70
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         0.98
_exptl_absorpt_coefficient_mu    0.434
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.908
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             4015
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.385
_refine_diff_density_min         -1.244
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2389
_refine_ls_number_reflns         44347
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.939
_refine_ls_R_factor_all          0.1206
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0743P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                24156
_reflns_number_total             44347
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800664f-file002_3.cif
_cod_data_source_block           ophosm
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        10021(3)
_cod_database_code               4305681
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.413164(16) 0.195514(13) 0.422755(10) 0.02205(7) Uani 1 1 d . . .
C1A C 0.3595(2) 0.09731(19) 0.37567(16) 0.0270(10) Uani 1 1 d . . .
C2A C 0.2817(2) 0.0711(2) 0.38509(16) 0.0325(10) Uani 1 1 d . . .
H2AA H 0.2580 0.0950 0.4127 0.039 Uiso 1 1 calc R . .
C3A C 0.2391(3) 0.0091(2) 0.35332(17) 0.0365(11) Uani 1 1 d . . .
C4A C 0.2740(3) -0.0257(2) 0.31208(17) 0.0365(11) Uani 1 1 d . . .
H4AA H 0.2452 -0.0662 0.2905 0.044 Uiso 1 1 calc R . .
C5A C 0.3520(3) -0.0014(2) 0.30196(16) 0.0317(10) Uani 1 1 d . . .
C6A C 0.3942(2) 0.06034(19) 0.33429(16) 0.0286(10) Uani 1 1 d . . .
H6AA H 0.4461 0.0769 0.3280 0.034 Uiso 1 1 calc R . .
P1A P 0.13950(8) -0.03079(7) 0.36439(5) 0.0490(4) Uani 1 1 d . . .
C7A C 0.1686(3) -0.0626(2) 0.4107(2) 0.0481(14) Uani 1 1 d . . .
C8A C 0.1185(4) -0.1170(3) 0.4139(3) 0.078(2) Uani 1 1 d . . .
H8AA H 0.0696 -0.1356 0.3935 0.093 Uiso 1 1 calc R . .
C9A C 0.1395(5) -0.1441(3) 0.4467(3) 0.082(2) Uani 1 1 d . . .
H9AA H 0.1045 -0.1805 0.4479 0.099 Uiso 1 1 calc R . .
C10A C 0.2076(5) -0.1198(3) 0.4761(3) 0.080(2) Uani 1 1 d . . .
H10A H 0.2212 -0.1392 0.4975 0.096 Uiso 1 1 calc R . .
C11A C 0.2585(4) -0.0660(4) 0.4754(3) 0.099(3) Uani 1 1 d . . .
H11A H 0.3059 -0.0475 0.4973 0.118 Uiso 1 1 calc R . .
C12A C 0.2393(4) -0.0387(3) 0.4420(3) 0.095(3) Uani 1 1 d . . .
H12A H 0.2758 -0.0029 0.4409 0.114 Uiso 1 1 calc R . .
C13A C 0.1022(3) 0.0405(3) 0.40236(19) 0.0472(13) Uani 1 1 d . . .
C14A C 0.1052(4) 0.0648(3) 0.4545(2) 0.0749(19) Uani 1 1 d . . .
H14A H 0.1258 0.0438 0.4726 0.090 Uiso 1 1 calc R . .
C15A C 0.0776(5) 0.1201(3) 0.4798(3) 0.091(2) Uani 1 1 d . . .
H15A H 0.0793 0.1354 0.5148 0.109 Uiso 1 1 calc R . .
C16A C 0.0476(4) 0.1531(3) 0.4542(3) 0.0748(19) Uani 1 1 d . . .
H16A H 0.0296 0.1904 0.4716 0.090 Uiso 1 1 calc R . .
C17A C 0.0452(3) 0.1301(3) 0.4038(2) 0.0576(15) Uani 1 1 d . . .
H17A H 0.0235 0.1505 0.3856 0.069 Uiso 1 1 calc R . .
C18A C 0.0751(3) 0.0754(3) 0.3786(2) 0.0512(14) Uani 1 1 d . . .
H18A H 0.0767 0.0622 0.3439 0.061 Uiso 1 1 calc R . .
P2A P 0.38720(7) -0.04796(6) 0.24210(4) 0.0334(3) Uani 1 1 d . . .
C19A C 0.3656(3) -0.1294(2) 0.24242(17) 0.0344(11) Uani 1 1 d . . .
C20A C 0.3594(3) -0.1452(2) 0.28470(19) 0.0436(12) Uani 1 1 d . . .
H20A H 0.3690 -0.1124 0.3166 0.052 Uiso 1 1 calc R . .
C21A C 0.3393(3) -0.2087(3) 0.2805(2) 0.0547(15) Uani 1 1 d . . .
H21A H 0.3340 -0.2181 0.3094 0.066 Uiso 1 1 calc R . .
C22A C 0.3272(3) -0.2580(3) 0.2338(3) 0.0590(16) Uani 1 1 d . . .
H22A H 0.3142 -0.3007 0.2312 0.071 Uiso 1 1 calc R . .
C23A C 0.3342(3) -0.2444(2) 0.1915(2) 0.0562(15) Uani 1 1 d . . .
H23A H 0.3268 -0.2778 0.1599 0.067 Uiso 1 1 calc R . .
C24A C 0.3524(3) -0.1806(2) 0.19519(19) 0.0415(12) Uani 1 1 d . . .
H24A H 0.3558 -0.1718 0.1660 0.050 Uiso 1 1 calc R . .
C25A C 0.4984(3) -0.0219(2) 0.25438(16) 0.0346(11) Uani 1 1 d . . .
C26A C 0.5367(3) 0.0300(2) 0.24239(18) 0.0422(12) Uani 1 1 d . . .
H26A H 0.5053 0.0518 0.2307 0.051 Uiso 1 1 calc R . .
C27A C 0.6209(3) 0.0496(3) 0.2476(2) 0.0586(16) Uani 1 1 d . . .
H27A H 0.6458 0.0847 0.2400 0.070 Uiso 1 1 calc R . .
C28A C 0.6677(3) 0.0164(3) 0.2643(2) 0.0570(16) Uani 1 1 d . . .
H28A H 0.7241 0.0290 0.2679 0.068 Uiso 1 1 calc R . .
C29A C 0.6302(3) -0.0350(3) 0.2756(2) 0.0552(15) Uani 1 1 d . . .
H29A H 0.6616 -0.0579 0.2859 0.066 Uiso 1 1 calc R . .
C30A C 0.5465(3) -0.0534(2) 0.27177(18) 0.0439(12) Uani 1 1 d . . .
H30A H 0.5222 -0.0873 0.2810 0.053 Uiso 1 1 calc R . .
C31A C 0.3577(2) 0.25455(18) 0.39476(14) 0.0225(9) Uani 1 1 d . . .
C32A C 0.4033(2) 0.30938(18) 0.38951(14) 0.0239(9) Uani 1 1 d . . .
H32A H 0.4595 0.3198 0.3969 0.029 Uiso 1 1 calc R . .
C33A C 0.3664(2) 0.34902(19) 0.37333(15) 0.0243(9) Uani 1 1 d . . .
C34A C 0.2822(2) 0.33189(19) 0.36125(14) 0.0246(9) Uani 1 1 d . . .
H34A H 0.2570 0.3576 0.3501 0.030 Uiso 1 1 calc R . .
C35A C 0.2355(2) 0.27700(18) 0.36560(15) 0.0232(9) Uani 1 1 d . . .
C36A C 0.2734(2) 0.23863(19) 0.38210(14) 0.0239(9) Uani 1 1 d . . .
H36A H 0.2423 0.2017 0.3848 0.029 Uiso 1 1 calc R . .
P3A P 0.12428(7) 0.25388(6) 0.35273(4) 0.0295(3) Uani 1 1 d . . .
C37A C 0.1070(3) 0.2974(2) 0.31269(16) 0.0309(10) Uani 1 1 d . . .
C38A C 0.0631(4) 0.3449(3) 0.3251(2) 0.0582(16) Uani 1 1 d . . .
H38A H 0.0438 0.3590 0.3567 0.070 Uiso 1 1 calc R . .
C39A C 0.0476(4) 0.3719(3) 0.2907(2) 0.077(2) Uani 1 1 d . . .
H39A H 0.0176 0.4036 0.2993 0.092 Uiso 1 1 calc R . .
C40A C 0.0763(4) 0.3519(3) 0.2437(2) 0.0653(18) Uani 1 1 d . . .
H40A H 0.0667 0.3707 0.2210 0.078 Uiso 1 1 calc R . .
C41A C 0.1190(3) 0.3044(2) 0.23087(18) 0.0440(12) Uani 1 1 d . . .
H41A H 0.1384 0.2906 0.1993 0.053 Uiso 1 1 calc R . .
C42A C 0.1334(3) 0.2769(2) 0.26494(17) 0.0350(11) Uani 1 1 d . . .
H42A H 0.1615 0.2439 0.2556 0.042 Uiso 1 1 calc R . .
C43A C 0.0931(3) 0.3014(2) 0.41295(17) 0.0342(11) Uani 1 1 d . . .
C44A C 0.1470(3) 0.3419(2) 0.45506(18) 0.0448(13) Uani 1 1 d . . .
H44A H 0.2027 0.3481 0.4523 0.054 Uiso 1 1 calc R . .
C45A C 0.1195(4) 0.3726(3) 0.5004(2) 0.0594(16) Uani 1 1 d . . .
H45A H 0.1569 0.3987 0.5280 0.071 Uiso 1 1 calc R . .
C46A C 0.0381(4) 0.3655(3) 0.5058(2) 0.0671(17) Uani 1 1 d . . .
H46A H 0.0200 0.3870 0.5367 0.081 Uiso 1 1 calc R . .
C47A C -0.0163(4) 0.3262(3) 0.4649(2) 0.0695(18) Uani 1 1 d . . .
H47A H -0.0718 0.3218 0.4678 0.083 Uiso 1 1 calc R . .
C48A C 0.0104(3) 0.2932(3) 0.4197(2) 0.0528(14) Uani 1 1 d . . .
H48A H -0.0274 0.2649 0.3930 0.063 Uiso 1 1 calc R . .
P4A P 0.43080(7) 0.42241(5) 0.37065(4) 0.0300(3) Uani 1 1 d . . .
C49A C 0.3658(3) 0.4386(2) 0.32723(16) 0.0322(10) Uani 1 1 d . . .
C50A C 0.3075(3) 0.4756(2) 0.34131(19) 0.0459(13) Uani 1 1 d . . .
H50A H 0.3005 0.4949 0.3753 0.055 Uiso 1 1 calc R . .
C51A C 0.2594(3) 0.4841(3) 0.3051(2) 0.0560(15) Uani 1 1 d . . .
H51A H 0.2207 0.5089 0.3153 0.067 Uiso 1 1 calc R . .
C52A C 0.2689(3) 0.4563(2) 0.2548(2) 0.0524(14) Uani 1 1 d . . .
H52A H 0.2374 0.4625 0.2309 0.063 Uiso 1 1 calc R . .
C53A C 0.3259(3) 0.4188(2) 0.24017(18) 0.0464(13) Uani 1 1 d . . .
H53A H 0.3320 0.3988 0.2061 0.056 Uiso 1 1 calc R . .
C54A C 0.3739(3) 0.4110(2) 0.27630(17) 0.0384(11) Uani 1 1 d . . .
H54A H 0.4127 0.3864 0.2659 0.046 Uiso 1 1 calc R . .
C55A C 0.4191(2) 0.4823(2) 0.43206(16) 0.0307(10) Uani 1 1 d . . .
C56A C 0.3840(3) 0.4667(2) 0.47084(17) 0.0378(11) Uani 1 1 d . . .
H56A H 0.3625 0.4237 0.4654 0.045 Uiso 1 1 calc R . .
C57A C 0.3806(3) 0.5138(2) 0.51713(18) 0.0479(13) Uani 1 1 d . . .
H57A H 0.3577 0.5022 0.5427 0.058 Uiso 1 1 calc R . .
C58A C 0.4106(3) 0.5774(2) 0.52573(19) 0.0439(13) Uani 1 1 d . . .
H58A H 0.4071 0.6093 0.5567 0.053 Uiso 1 1 calc R . .
C59A C 0.4464(3) 0.5936(2) 0.4877(2) 0.0460(13) Uani 1 1 d . . .
H59A H 0.4671 0.6368 0.4932 0.055 Uiso 1 1 calc R . .
C60A C 0.4516(3) 0.5473(2) 0.44231(18) 0.0400(12) Uani 1 1 d . . .
H60A H 0.4773 0.5592 0.4176 0.048 Uiso 1 1 calc R . .
C61A C 0.5419(2) 0.22271(19) 0.42155(15) 0.0252(9) Uani 1 1 d . . .
C62A C 0.5775(2) 0.22342(19) 0.37799(15) 0.0273(10) Uani 1 1 d . . .
H62A H 0.5443 0.2113 0.3482 0.033 Uiso 1 1 calc R . .
C63A C 0.6612(2) 0.2418(2) 0.37804(15) 0.0273(9) Uani 1 1 d . . .
C64A C 0.7103(2) 0.26061(19) 0.42302(15) 0.0287(10) Uani 1 1 d . . .
H64A H 0.7664 0.2727 0.4233 0.034 Uiso 1 1 calc R . .
C65A C 0.6771(2) 0.26171(19) 0.46743(15) 0.0260(9) Uani 1 1 d . . .
C66A C 0.5927(2) 0.24288(18) 0.46586(15) 0.0247(9) Uani 1 1 d . . .
H66A H 0.5698 0.2439 0.4954 0.030 Uiso 1 1 calc R . .
P5A P 0.70177(7) 0.24742(6) 0.32028(4) 0.0330(3) Uani 1 1 d . . .
C67A C 0.7493(3) 0.3344(2) 0.34563(17) 0.0438(13) Uani 1 1 d . . .
C68A C 0.6997(4) 0.3752(3) 0.3437(2) 0.0682(18) Uani 1 1 d . . .
H68A H 0.6463 0.3579 0.3290 0.082 Uiso 1 1 calc R . .
C69A C 0.7296(7) 0.4419(4) 0.3636(3) 0.107(3) Uani 1 1 d . . .
H69A H 0.6964 0.4694 0.3627 0.129 Uiso 1 1 calc R . .
C70A C 0.8095(7) 0.4665(4) 0.3847(3) 0.115(4) Uani 1 1 d . . .
H70A H 0.8298 0.5109 0.3982 0.138 Uiso 1 1 calc R . .
C71A C 0.8587(5) 0.4270(3) 0.3862(2) 0.090(3) Uani 1 1 d . . .
H71A H 0.9123 0.4444 0.4004 0.108 Uiso 1 1 calc R . .
C72A C 0.8293(4) 0.3613(3) 0.36686(19) 0.0582(15) Uani 1 1 d . . .
H72A H 0.8634 0.3345 0.3680 0.070 Uiso 1 1 calc R . .
C73A C 0.7891(2) 0.2106(2) 0.31402(16) 0.0322(10) Uani 1 1 d . . .
C74A C 0.7979(3) 0.1656(2) 0.33417(18) 0.0406(12) Uani 1 1 d . . .
H74A H 0.7606 0.1564 0.3555 0.049 Uiso 1 1 calc R . .
C75A C 0.8614(3) 0.1339(2) 0.3232(2) 0.0512(14) Uani 1 1 d . . .
H75A H 0.8662 0.1037 0.3371 0.061 Uiso 1 1 calc R . .
C76A C 0.9174(3) 0.1471(3) 0.2918(2) 0.0551(15) Uani 1 1 d . . .
H76A H 0.9602 0.1262 0.2846 0.066 Uiso 1 1 calc R . .
C77A C 0.9095(3) 0.1913(3) 0.27134(19) 0.0541(15) Uani 1 1 d . . .
H77A H 0.9471 0.2002 0.2502 0.065 Uiso 1 1 calc R . .
C78A C 0.8460(3) 0.2229(2) 0.28174(17) 0.0425(12) Uani 1 1 d . . .
H78A H 0.8411 0.2524 0.2672 0.051 Uiso 1 1 calc R . .
P6A P 0.74674(7) 0.28240(6) 0.52376(4) 0.0313(3) Uani 1 1 d . . .
C79A C 0.7978(2) 0.3664(2) 0.53787(16) 0.0324(10) Uani 1 1 d . . .
C80A C 0.8605(3) 0.3940(2) 0.57725(17) 0.0433(12) Uani 1 1 d . . .
H80A H 0.8744 0.3695 0.5944 0.052 Uiso 1 1 calc R . .
C81A C 0.9019(3) 0.4575(3) 0.5909(2) 0.0577(16) Uani 1 1 d . . .
H81A H 0.9427 0.4758 0.6175 0.069 Uiso 1 1 calc R . .
C82A C 0.8827(4) 0.4932(3) 0.5649(2) 0.0647(17) Uani 1 1 d . . .
H82A H 0.9112 0.5356 0.5736 0.078 Uiso 1 1 calc R . .
C83A C 0.8223(3) 0.4671(3) 0.5267(2) 0.0584(15) Uani 1 1 d . . .
H83A H 0.8093 0.4919 0.5095 0.070 Uiso 1 1 calc R . .
C84A C 0.7799(3) 0.4043(2) 0.51297(19) 0.0432(12) Uani 1 1 d . . .
H84A H 0.7386 0.3871 0.4866 0.052 Uiso 1 1 calc R . .
C85A C 0.6753(3) 0.2906(2) 0.57179(16) 0.0329(11) Uani 1 1 d . . .
C86A C 0.6537(3) 0.3474(3) 0.59879(18) 0.0422(12) Uani 1 1 d . . .
H86A H 0.6779 0.3850 0.5943 0.051 Uiso 1 1 calc R . .
C87A C 0.5953(3) 0.3491(3) 0.6331(2) 0.0545(15) Uani 1 1 d . . .
H87A H 0.5813 0.3878 0.6516 0.065 Uiso 1 1 calc R . .
C88A C 0.5586(3) 0.2935(3) 0.6395(2) 0.0599(16) Uani 1 1 d . . .
H88A H 0.5197 0.2944 0.6623 0.072 Uiso 1 1 calc R . .
C89A C 0.5796(3) 0.2366(3) 0.6120(2) 0.0583(16) Uani 1 1 d . . .
H89A H 0.5542 0.1988 0.6158 0.070 Uiso 1 1 calc R . .
C90A C 0.6378(3) 0.2350(2) 0.57898(18) 0.0440(13) Uani 1 1 d . . .
H90A H 0.6523 0.1962 0.5612 0.053 Uiso 1 1 calc R . .
C91A C 0.3801(2) 0.2163(2) 0.49871(15) 0.0271(10) Uani 1 1 d . . .
C92A C 0.3791(2) 0.1738(2) 0.52301(16) 0.0317(10) Uani 1 1 d . . .
H92A H 0.3923 0.1343 0.5061 0.038 Uiso 1 1 calc R . .
C93A C 0.3586(3) 0.1895(2) 0.57267(18) 0.0361(11) Uani 1 1 d . . .
C94A C 0.3397(3) 0.2480(2) 0.59787(17) 0.0372(11) Uani 1 1 d . . .
H94A H 0.3265 0.2585 0.6309 0.045 Uiso 1 1 calc R . .
C95A C 0.3400(3) 0.2925(2) 0.57467(16) 0.0314(10) Uani 1 1 d . . .
C96A C 0.3603(2) 0.27584(19) 0.52516(15) 0.0271(10) Uani 1 1 d . . .
H96A H 0.3607 0.3048 0.5093 0.033 Uiso 1 1 calc R . .
P7A P 0.36407(10) 0.13178(7) 0.60207(6) 0.0521(4) Uani 1 1 d . . .
C97A C 0.2708(4) 0.0888(3) 0.5900(2) 0.073(2) Uani 1 1 d . . .
C98A C 0.1973(4) 0.0987(3) 0.5768(2) 0.077(2) Uani 1 1 d . . .
H98A H 0.1997 0.1351 0.5690 0.092 Uiso 1 1 calc R . .
C99A C 0.1155(5) 0.0593(4) 0.5733(3) 0.108(3) Uani 1 1 d . . .
H99A H 0.0700 0.0707 0.5636 0.129 Uiso 1 1 calc R . .
C100 C 0.1073(6) 0.0061(5) 0.5845(4) 0.113(3) Uani 1 1 d . . .
H10B H 0.0559 -0.0197 0.5820 0.136 Uiso 1 1 calc R . .
C101 C 0.1762(7) -0.0103(4) 0.6001(4) 0.144(4) Uani 1 1 d . . .
H10C H 0.1711 -0.0466 0.6082 0.172 Uiso 1 1 calc R . .
C102 C 0.2531(5) 0.0294(4) 0.6031(3) 0.105(3) Uani 1 1 d . . .
H10D H 0.2975 0.0180 0.6142 0.126 Uiso 1 1 calc R . .
C103 C 0.3672(3) 0.1750(2) 0.66952(19) 0.0454(13) Uani 1 1 d . . .
C104 C 0.2993(3) 0.1901(3) 0.6949(2) 0.0509(14) Uani 1 1 d . . .
H10E H 0.2498 0.1825 0.6766 0.061 Uiso 1 1 calc R . .
C105 C 0.3053(3) 0.2162(3) 0.7469(2) 0.0540(15) Uani 1 1 d . . .
H10F H 0.2594 0.2246 0.7633 0.065 Uiso 1 1 calc R . .
C106 C 0.3791(3) 0.2298(3) 0.7748(2) 0.0572(15) Uani 1 1 d . . .
H10G H 0.3826 0.2473 0.8098 0.069 Uiso 1 1 calc R . .
C107 C 0.4475(3) 0.2176(3) 0.7505(2) 0.0621(16) Uani 1 1 d . . .
H10H H 0.4977 0.2278 0.7689 0.075 Uiso 1 1 calc R . .
C108 C 0.4403(3) 0.1902(3) 0.6989(2) 0.0569(16) Uani 1 1 d . . .
H10I H 0.4864 0.1813 0.6828 0.068 Uiso 1 1 calc R . .
P8A P 0.31305(8) 0.37051(6) 0.60602(5) 0.0401(3) Uani 1 1 d . . .
C109 C 0.3589(3) 0.3957(2) 0.67038(17) 0.0391(12) Uani 1 1 d . . .
C110 C 0.3275(3) 0.3713(2) 0.70573(17) 0.0475(13) Uani 1 1 d . . .
H11B H 0.2783 0.3410 0.6971 0.057 Uiso 1 1 calc R . .
C111 C 0.3672(3) 0.3906(3) 0.75314(19) 0.0602(16) Uani 1 1 d . . .
H11C H 0.3445 0.3739 0.7762 0.072 Uiso 1 1 calc R . .
C112 C 0.4410(4) 0.4349(3) 0.7662(2) 0.0669(18) Uani 1 1 d . . .
H11D H 0.4688 0.4475 0.7979 0.080 Uiso 1 1 calc R . .
C113 C 0.4728(4) 0.4601(3) 0.7325(2) 0.0695(18) Uani 1 1 d . . .
H11E H 0.5223 0.4901 0.7413 0.083 Uiso 1 1 calc R . .
C114 C 0.4321(3) 0.4415(2) 0.6854(2) 0.0526(14) Uani 1 1 d . . .
H11F H 0.4541 0.4600 0.6631 0.063 Uiso 1 1 calc R . .
C115 C 0.2052(3) 0.3467(2) 0.61314(17) 0.0363(11) Uani 1 1 d . . .
C116 C 0.1556(3) 0.2873(3) 0.58321(19) 0.0495(13) Uani 1 1 d . . .
H11G H 0.1780 0.2563 0.5597 0.059 Uiso 1 1 calc R . .
C117 C 0.0724(3) 0.2740(3) 0.5884(2) 0.0615(16) Uani 1 1 d . . .
H11H H 0.0400 0.2341 0.5684 0.074 Uiso 1 1 calc R . .
C118 C 0.0376(3) 0.3196(3) 0.6229(2) 0.0565(15) Uani 1 1 d . . .
H11I H -0.0178 0.3103 0.6261 0.068 Uiso 1 1 calc R . .
C119 C 0.0848(4) 0.3775(3) 0.6519(2) 0.0559(15) Uani 1 1 d . . .
H11J H 0.0617 0.4085 0.6750 0.067 Uiso 1 1 calc R . .
C120 C 0.1677(3) 0.3910(2) 0.64716(19) 0.0496(14) Uani 1 1 d . . .
H12B H 0.1992 0.4312 0.6675 0.060 Uiso 1 1 calc R . .
Sn2 Sn -0.069194(16) -0.303704(13) -0.059112(10) 0.02188(7) Uani 1 1 d . . .
C1B C -0.1286(2) -0.25262(19) -0.09328(14) 0.0223(9) Uani 1 1 d . . .
C2B C -0.0868(2) -0.19734(18) -0.09892(14) 0.0230(9) Uani 1 1 d . . .
H2BA H -0.0307 -0.1849 -0.0913 0.028 Uiso 1 1 calc R . .
C3B C -0.1262(2) -0.15989(19) -0.11566(14) 0.0247(9) Uani 1 1 d . . .
C4B C -0.2104(2) -0.17957(19) -0.12755(15) 0.0265(9) Uani 1 1 d . . .
H4BA H -0.2377 -0.1550 -0.1388 0.032 Uiso 1 1 calc R . .
C5B C -0.2541(2) -0.23527(19) -0.12289(15) 0.0252(9) Uani 1 1 d . . .
C6B C -0.2128(2) -0.27132(19) -0.10575(14) 0.0235(9) Uani 1 1 d . . .
H6BA H -0.2417 -0.3086 -0.1025 0.028 Uiso 1 1 calc R . .
P1B P -0.36538(6) -0.26242(5) -0.13619(4) 0.0264(2) Uani 1 1 d . . .
C7B C -0.4004(2) -0.2144(2) -0.07757(16) 0.0291(10) Uani 1 1 d . . .
C8B C -0.4813(3) -0.2330(2) -0.06994(18) 0.0395(12) Uani 1 1 d . . .
H8BA H -0.5147 -0.2698 -0.0939 0.047 Uiso 1 1 calc R . .
C9B C -0.5126(3) -0.1972(3) -0.0270(2) 0.0531(15) Uani 1 1 d . . .
H9BA H -0.5671 -0.2095 -0.0226 0.064 Uiso 1 1 calc R . .
C10B C -0.4638(3) -0.1436(3) 0.0091(2) 0.0534(15) Uani 1 1 d . . .
H10J H -0.4853 -0.1196 0.0378 0.064 Uiso 1 1 calc R . .
C11B C -0.3831(3) -0.1252(3) 0.00291(19) 0.0516(14) Uani 1 1 d . . .
H11K H -0.3500 -0.0891 0.0276 0.062 Uiso 1 1 calc R . .
C12B C -0.3510(3) -0.1601(2) -0.03974(17) 0.0405(12) Uani 1 1 d . . .
H12C H -0.2963 -0.1476 -0.0435 0.049 Uiso 1 1 calc R . .
C13B C -0.3883(2) -0.22296(19) -0.17846(15) 0.0253(9) Uani 1 1 d . . .
C14B C -0.3507(3) -0.2352(2) -0.22277(16) 0.0320(10) Uani 1 1 d . . .
H14B H -0.3126 -0.2608 -0.2293 0.038 Uiso 1 1 calc R . .
C15B C -0.3693(3) -0.2096(2) -0.25736(17) 0.0398(12) Uani 1 1 d . . .
H15B H -0.3422 -0.2165 -0.2863 0.048 Uiso 1 1 calc R . .
C16B C -0.4283(3) -0.1736(2) -0.24885(18) 0.0393(12) Uani 1 1 d . . .
H16B H -0.4414 -0.1568 -0.2722 0.047 Uiso 1 1 calc R . .
C17B C -0.4675(3) -0.1629(2) -0.20567(18) 0.0373(11) Uani 1 1 d . . .
H17B H -0.5080 -0.1396 -0.2002 0.045 Uiso 1 1 calc R . .
C18B C -0.4467(2) -0.1867(2) -0.17052(16) 0.0309(10) Uani 1 1 d . . .
H18B H -0.4724 -0.1782 -0.1410 0.037 Uiso 1 1 calc R . .
P2B P -0.06502(6) -0.08527(5) -0.11941(4) 0.0270(3) Uani 1 1 d . . .
C19B C -0.0833(2) -0.0245(2) -0.06103(17) 0.0307(10) Uani 1 1 d . . .
C20B C -0.0592(3) 0.0405(2) -0.05435(19) 0.0404(12) Uani 1 1 d . . .
H20B H -0.0363 0.0512 -0.0803 0.048 Uiso 1 1 calc R . .
C21B C -0.0686(3) 0.0890(2) -0.0103(2) 0.0478(14) Uani 1 1 d . . .
H21B H -0.0525 0.1318 -0.0070 0.057 Uiso 1 1 calc R . .
C22B C -0.1016(3) 0.0747(3) 0.0291(2) 0.0476(13) Uani 1 1 d . . .
H22B H -0.1082 0.1077 0.0586 0.057 Uiso 1 1 calc R . .
C23B C -0.1247(3) 0.0111(2) 0.02424(18) 0.0433(12) Uani 1 1 d . . .
H23B H -0.1462 0.0009 0.0507 0.052 Uiso 1 1 calc R . .
C24B C -0.1156(3) -0.0373(2) -0.02045(17) 0.0344(11) Uani 1 1 d . . .
H24B H -0.1317 -0.0800 -0.0235 0.041 Uiso 1 1 calc R . .
C25B C -0.1292(2) -0.07530(19) -0.16692(15) 0.0265(9) Uani 1 1 d . . .
C26B C -0.1934(3) -0.0436(2) -0.15644(18) 0.0372(11) Uani 1 1 d . . .
H26B H -0.2043 -0.0241 -0.1232 0.045 Uiso 1 1 calc R . .
C27B C -0.2410(3) -0.0412(2) -0.19554(19) 0.0474(13) Uani 1 1 d . . .
H27B H -0.2840 -0.0205 -0.1885 0.057 Uiso 1 1 calc R . .
C28B C -0.2241(3) -0.0698(2) -0.24490(18) 0.0425(12) Uani 1 1 d . . .
H28B H -0.2556 -0.0679 -0.2710 0.051 Uiso 1 1 calc R . .
C29B C -0.1614(3) -0.1009(2) -0.25553(18) 0.0415(12) Uani 1 1 d . . .
H29B H -0.1507 -0.1204 -0.2888 0.050 Uiso 1 1 calc R . .
C30B C -0.1137(3) -0.1031(2) -0.21643(16) 0.0322(10) Uani 1 1 d . . .
H30B H -0.0706 -0.1238 -0.2238 0.039 Uiso 1 1 calc R . .
C31B C 0.0593(2) -0.27443(18) -0.05852(15) 0.0237(9) Uani 1 1 d . . .
C32B C 0.0943(2) -0.27736(19) -0.10330(15) 0.0255(9) Uani 1 1 d . . .
H32B H 0.0606 -0.2931 -0.1333 0.031 Uiso 1 1 calc R . .
C33B C 0.1773(2) -0.25756(19) -0.10415(15) 0.0271(9) Uani 1 1 d . . .
C34B C 0.2266(2) -0.2339(2) -0.05869(16) 0.0292(10) Uani 1 1 d . . .
H34B H 0.2825 -0.2211 -0.0587 0.035 Uiso 1 1 calc R . .
C35B C 0.1945(2) -0.22895(19) -0.01306(15) 0.0273(10) Uani 1 1 d . . .
C36B C 0.1108(2) -0.25013(18) -0.01413(15) 0.0241(9) Uani 1 1 d . . .
H36B H 0.0887 -0.2479 0.0158 0.029 Uiso 1 1 calc R . .
P3B P 0.21712(7) -0.25791(6) -0.16343(4) 0.0297(3) Uani 1 1 d . . .
C37B C 0.2731(3) -0.1736(2) -0.14270(16) 0.0321(10) Uani 1 1 d . . .
C38B C 0.2320(3) -0.1305(2) -0.15004(19) 0.0473(13) Uani 1 1 d . . .
H38B H 0.1791 -0.1452 -0.1656 0.057 Uiso 1 1 calc R . .
C39B C 0.2696(4) -0.0651(3) -0.1342(2) 0.0600(16) Uani 1 1 d . . .
H39B H 0.2416 -0.0364 -0.1391 0.072 Uiso 1 1 calc R . .
C40B C 0.3469(4) -0.0433(3) -0.1115(2) 0.0591(16) Uani 1 1 d . . .
H40B H 0.3719 0.0001 -0.1014 0.071 Uiso 1 1 calc R . .
C41B C 0.3887(3) -0.0849(2) -0.1035(2) 0.0511(14) Uani 1 1 d . . .
H41B H 0.4413 -0.0696 -0.0874 0.061 Uiso 1 1 calc R . .
C42B C 0.3517(3) -0.1502(2) -0.11944(17) 0.0400(12) Uani 1 1 d . . .
H42B H 0.3803 -0.1785 -0.1144 0.048 Uiso 1 1 calc R . .
C43B C 0.2990(2) -0.30079(19) -0.16898(15) 0.0279(10) Uani 1 1 d . . .
C44B C 0.3534(3) -0.2977(2) -0.20509(16) 0.0372(11) Uani 1 1 d . . .
H44B H 0.3501 -0.2707 -0.2223 0.045 Uiso 1 1 calc R . .
C45B C 0.4118(3) -0.3343(2) -0.21553(18) 0.0442(12) Uani 1 1 d . . .
H45B H 0.4478 -0.3313 -0.2392 0.053 Uiso 1 1 calc R . .
C46B C 0.4168(3) -0.3751(2) -0.19100(19) 0.0479(13) Uani 1 1 d . . .
H46B H 0.4556 -0.4001 -0.1984 0.057 Uiso 1 1 calc R . .
C47B C 0.3644(3) -0.3790(2) -0.15561(19) 0.0463(13) Uani 1 1 d . . .
H47B H 0.3678 -0.4066 -0.1390 0.056 Uiso 1 1 calc R . .
C48B C 0.3058(3) -0.3418(2) -0.14427(17) 0.0366(11) Uani 1 1 d . . .
H48B H 0.2710 -0.3445 -0.1199 0.044 Uiso 1 1 calc R . .
P4B P 0.26850(7) -0.19998(6) 0.04257(4) 0.0327(3) Uani 1 1 d . . .
C49B C 0.3071(2) -0.1154(2) 0.05251(16) 0.0299(10) Uani 1 1 d . . .
C50B C 0.2828(3) -0.0833(2) 0.02393(18) 0.0400(12) Uani 1 1 d . . .
H50B H 0.2425 -0.1056 -0.0028 0.048 Uiso 1 1 calc R . .
C51B C 0.3169(3) -0.0195(2) 0.0342(2) 0.0506(14) Uani 1 1 d . . .
H51B H 0.2998 0.0006 0.0142 0.061 Uiso 1 1 calc R . .
C52B C 0.3760(3) 0.0149(2) 0.0739(2) 0.0514(14) Uani 1 1 d . . .
H52B H 0.3984 0.0583 0.0811 0.062 Uiso 1 1 calc R . .
C53B C 0.4012(3) -0.0153(3) 0.10247(19) 0.0536(15) Uani 1 1 d . . .
H53B H 0.4411 0.0077 0.1293 0.064 Uiso 1 1 calc R . .
C54B C 0.3683(3) -0.0796(2) 0.09219(18) 0.0457(13) Uani 1 1 d . . .
H54B H 0.3870 -0.0994 0.1119 0.055 Uiso 1 1 calc R . .
C55B C 0.2054(3) -0.1955(3) 0.09438(18) 0.0459(13) Uani 1 1 d . . .
C56B C 0.1818(3) -0.2533(3) 0.1032(2) 0.0698(19) Uani 1 1 d . . .
H56B H 0.1944 -0.2910 0.0812 0.084 Uiso 1 1 calc R . .
C57B C 0.1402(4) -0.2542(5) 0.1443(3) 0.098(3) Uani 1 1 d . . .
H57B H 0.1219 -0.2924 0.1492 0.117 Uiso 1 1 calc R . .
C58B C 0.1270(4) -0.1975(5) 0.1772(3) 0.102(3) Uani 1 1 d . . .
H58B H 0.1028 -0.1974 0.2061 0.122 Uiso 1 1 calc R . .
C59B C 0.1474(4) -0.1402(4) 0.1701(2) 0.093(3) Uani 1 1 d . . .
H59B H 0.1354 -0.1026 0.1927 0.111 Uiso 1 1 calc R . .
C60B C 0.1875(3) -0.1409(3) 0.1270(2) 0.0658(17) Uani 1 1 d . . .
H60B H 0.2018 -0.1031 0.1210 0.079 Uiso 1 1 calc R . .
C61B C -0.1105(3) -0.4053(2) -0.09778(16) 0.0284(10) Uani 1 1 d . . .
C62B C -0.0615(3) -0.4433(2) -0.12780(17) 0.0387(11) Uani 1 1 d . . .
H62B H -0.0091 -0.4234 -0.1309 0.046 Uiso 1 1 calc R . .
C63B C -0.0876(3) -0.5104(2) -0.15356(17) 0.0414(12) Uani 1 1 d . . .
C64B C -0.1669(3) -0.5381(2) -0.14872(19) 0.0466(13) Uani 1 1 d . . .
H64B H -0.1864 -0.5821 -0.1664 0.056 Uiso 1 1 calc R . .
C65B C -0.2176(3) -0.5033(2) -0.11900(18) 0.0383(11) Uani 1 1 d . . .
C66B C -0.1886(3) -0.4368(2) -0.09324(16) 0.0347(11) Uani 1 1 d . . .
H66B H -0.2220 -0.4130 -0.0725 0.042 Uiso 1 1 calc R . .
P5B P -0.02051(9) -0.56337(7) -0.18312(5) 0.0472(4) Uani 1 1 d . . .
C67B C 0.0561(3) -0.5158(2) -0.20680(19) 0.0475(13) Uani 1 1 d . . .
C68B C 0.1342(3) -0.5229(3) -0.2020(2) 0.0689(19) Uani 1 1 d . . .
H68B H 0.1447 -0.5489 -0.1853 0.083 Uiso 1 1 calc R . .
C69B C 0.1967(4) -0.4935(3) -0.2205(3) 0.086(2) Uani 1 1 d . . .
H69B H 0.2488 -0.4998 -0.2168 0.103 Uiso 1 1 calc R . .
C70B C 0.1825(4) -0.4553(3) -0.2442(2) 0.072(2) Uani 1 1 d . . .
H70B H 0.2251 -0.4354 -0.2572 0.087 Uiso 1 1 calc R . .
C71B C 0.1053(4) -0.4453(3) -0.2495(2) 0.0727(18) Uani 1 1 d . . .
H71B H 0.0962 -0.4178 -0.2651 0.087 Uiso 1 1 calc R . .
C72B C 0.0416(3) -0.4767(3) -0.2313(2) 0.0599(16) Uani 1 1 d . . .
H72B H -0.0108 -0.4714 -0.2356 0.072 Uiso 1 1 calc R . .
C73B C -0.0829(3) -0.6212(2) -0.24094(18) 0.0410(12) Uani 1 1 d . . .
C74B C -0.1375(4) -0.6061(3) -0.26839(19) 0.0587(16) Uani 1 1 d . . .
H74B H -0.1443 -0.5639 -0.2578 0.070 Uiso 1 1 calc R . .
C75B C -0.1820(3) -0.6523(3) -0.3111(2) 0.0574(15) Uani 1 1 d . . .
H75B H -0.2181 -0.6411 -0.3294 0.069 Uiso 1 1 calc R . .
C76B C -0.1737(3) -0.7150(3) -0.3272(2) 0.0521(14) Uani 1 1 d . . .
H76B H -0.2038 -0.7463 -0.3564 0.062 Uiso 1 1 calc R . .
C77B C -0.1206(3) -0.7308(3) -0.2997(2) 0.0559(15) Uani 1 1 d . . .
H77B H -0.1149 -0.7732 -0.3099 0.067 Uiso 1 1 calc R . .
C78B C -0.0750(3) -0.6835(2) -0.25645(19) 0.0435(12) Uani 1 1 d . . .
H78B H -0.0389 -0.6945 -0.2380 0.052 Uiso 1 1 calc R . .
P6B P -0.31948(8) -0.54878(6) -0.11592(5) 0.0474(4) Uani 1 1 d . . .
C79B C -0.3011(3) -0.5767(2) -0.0660(2) 0.0468(13) Uani 1 1 d . . .
C80B C -0.3621(3) -0.6249(3) -0.0612(2) 0.0587(15) Uani 1 1 d . . .
H80B H -0.4099 -0.6402 -0.0827 0.070 Uiso 1 1 calc R . .
C81B C -0.3525(4) -0.6502(3) -0.0250(3) 0.0724(19) Uani 1 1 d . . .
H81B H -0.3945 -0.6812 -0.0217 0.087 Uiso 1 1 calc R . .
C82B C -0.2819(5) -0.6300(3) 0.0057(2) 0.0716(19) Uani 1 1 d . . .
H82B H -0.2758 -0.6477 0.0296 0.086 Uiso 1 1 calc R . .
C83B C -0.2193(4) -0.5832(3) 0.0017(3) 0.0781(19) Uani 1 1 d . . .
H83B H -0.1708 -0.5695 0.0225 0.094 Uiso 1 1 calc R . .
C84B C -0.2303(4) -0.5571(3) -0.0342(2) 0.0638(16) Uani 1 1 d . . .
H84B H -0.1885 -0.5253 -0.0369 0.077 Uiso 1 1 calc R . .
C85B C -0.3704(3) -0.4827(2) -0.08527(18) 0.0388(12) Uani 1 1 d . . .
C86B C -0.3843(3) -0.4604(2) -0.03528(19) 0.0502(14) Uani 1 1 d . . .
H86B H -0.3665 -0.4787 -0.0142 0.060 Uiso 1 1 calc R . .
C87B C -0.4243(4) -0.4114(3) -0.0163(2) 0.0727(19) Uani 1 1 d . . .
H87B H -0.4342 -0.3974 0.0174 0.087 Uiso 1 1 calc R . .
C88B C -0.4500(4) -0.3824(3) -0.0467(2) 0.0632(16) Uani 1 1 d . . .
H88B H -0.4767 -0.3488 -0.0336 0.076 Uiso 1 1 calc R . .
C89B C -0.4354(3) -0.4040(3) -0.0960(2) 0.0518(14) Uani 1 1 d . . .
H89B H -0.4517 -0.3847 -0.1169 0.062 Uiso 1 1 calc R . .
C90B C -0.3971(3) -0.4538(3) -0.1154(2) 0.0477(13) Uani 1 1 d . . .
H90B H -0.3888 -0.4686 -0.1494 0.057 Uiso 1 1 calc R . .
C91B C -0.1067(2) -0.2727(2) 0.01565(15) 0.0252(9) Uani 1 1 d . . .
C92B C -0.1358(2) -0.21668(19) 0.03406(15) 0.0257(9) Uani 1 1 d . . .
H92B H -0.1373 -0.1929 0.0139 0.031 Uiso 1 1 calc R . .
C93B C -0.1628(3) -0.1951(2) 0.08194(15) 0.0277(10) Uani 1 1 d . . .
C94B C -0.1598(2) -0.2314(2) 0.11142(16) 0.0288(10) Uani 1 1 d . . .
H94B H -0.1780 -0.2178 0.1433 0.035 Uiso 1 1 calc R . .
C95B C -0.1304(2) -0.2873(2) 0.09449(15) 0.0291(10) Uani 1 1 d . . .
C96B C -0.1038(2) -0.3073(2) 0.04643(15) 0.0268(9) Uani 1 1 d . . .
H96B H -0.0837 -0.3446 0.0347 0.032 Uiso 1 1 calc R . .
P7B P -0.20432(8) -0.12224(6) 0.10358(5) 0.0376(3) Uani 1 1 d . . .
C97B C -0.1619(3) -0.0862(2) 0.16983(18) 0.0363(11) Uani 1 1 d . . .
C98B C -0.1997(3) -0.0969(2) 0.20921(17) 0.0390(11) Uani 1 1 d . . .
H98B H -0.2521 -0.1224 0.2031 0.047 Uiso 1 1 calc R . .
C99B C -0.1608(3) -0.0703(2) 0.25764(19) 0.0472(13) Uani 1 1 d . . .
H99B H -0.1877 -0.0773 0.2838 0.057 Uiso 1 1 calc R . .
C121 C -0.0836(3) -0.0340(2) 0.2673(2) 0.0586(15) Uani 1 1 d . . .
H12D H -0.0576 -0.0166 0.2999 0.070 Uiso 1 1 calc R . .
C122 C -0.0443(4) -0.0234(3) 0.2288(3) 0.080(2) Uani 1 1 d . . .
H12E H 0.0090 0.0006 0.2350 0.096 Uiso 1 1 calc R . .
C123 C -0.0842(4) -0.0484(3) 0.1804(2) 0.0671(18) Uani 1 1 d . . .
H12F H -0.0579 -0.0393 0.1547 0.080 Uiso 1 1 calc R . .
C124 C -0.3105(3) -0.1556(2) 0.10779(16) 0.0334(11) Uani 1 1 d . . .
C125 C -0.3491(3) -0.2208(2) 0.08111(18) 0.0446(12) Uani 1 1 d . . .
H12G H -0.3193 -0.2495 0.0618 0.054 Uiso 1 1 calc R . .
C126 C -0.4317(3) -0.2425(3) 0.0835(2) 0.0509(14) Uani 1 1 d . . .
H12H H -0.4565 -0.2857 0.0660 0.061 Uiso 1 1 calc R . .
C127 C -0.4769(3) -0.2011(3) 0.1112(2) 0.0505(14) Uani 1 1 d . . .
H12I H -0.5320 -0.2160 0.1125 0.061 Uiso 1 1 calc R . .
C128 C -0.4397(3) -0.1369(3) 0.13739(18) 0.0479(14) Uani 1 1 d . . .
H12J H -0.4701 -0.1085 0.1565 0.057 Uiso 1 1 calc R . .
C129 C -0.3577(3) -0.1147(2) 0.13533(16) 0.0391(12) Uani 1 1 d . . .
H12K H -0.3338 -0.0713 0.1529 0.047 Uiso 1 1 calc R . .
P8B P -0.12884(8) -0.34026(6) 0.12929(5) 0.0372(3) Uani 1 1 d . . .
C130 C -0.1159(3) -0.2843(2) 0.19584(16) 0.0320(10) Uani 1 1 d . . .
C131 C -0.1460(3) -0.3077(2) 0.23246(17) 0.0383(11) Uani 1 1 d . . .
H13A H -0.1797 -0.3486 0.2227 0.046 Uiso 1 1 calc R . .
C132 C -0.1256(3) -0.2697(2) 0.28325(18) 0.0425(12) Uani 1 1 d . . .
H13B H -0.1451 -0.2857 0.3074 0.051 Uiso 1 1 calc R . .
C133 C -0.0776(3) -0.2097(2) 0.29799(18) 0.0436(12) Uani 1 1 d . . .
H13C H -0.0648 -0.1846 0.3322 0.052 Uiso 1 1 calc R . .
C134 C -0.0477(3) -0.1859(2) 0.26280(19) 0.0456(13) Uani 1 1 d . . .
H13D H -0.0151 -0.1445 0.2730 0.055 Uiso 1 1 calc R . .
C135 C -0.0663(3) -0.2238(2) 0.21182(18) 0.0398(12) Uani 1 1 d . . .
H13E H -0.0448 -0.2078 0.1881 0.048 Uiso 1 1 calc R . .
C136 C -0.2367(3) -0.3808(2) 0.12020(16) 0.0383(12) Uani 1 1 d . . .
C137 C -0.2563(4) -0.4484(3) 0.1021(2) 0.0598(16) Uani 1 1 d . . .
H13F H -0.2152 -0.4710 0.0963 0.072 Uiso 1 1 calc R . .
C138 C -0.3368(5) -0.4814(3) 0.0931(2) 0.073(2) Uani 1 1 d . . .
H13G H -0.3491 -0.5263 0.0808 0.088 Uiso 1 1 calc R . .
C139 C -0.3982(4) -0.4498(3) 0.1017(2) 0.0620(17) Uani 1 1 d . . .
H13H H -0.4520 -0.4728 0.0954 0.074 Uiso 1 1 calc R . .
C140 C -0.3807(3) -0.3843(3) 0.11979(19) 0.0547(14) Uani 1 1 d . . .
H14C H -0.4226 -0.3623 0.1263 0.066 Uiso 1 1 calc R . .
C141 C -0.3003(3) -0.3501(3) 0.12853(18) 0.0489(13) Uani 1 1 d . . .
H14D H -0.2892 -0.3053 0.1403 0.059 Uiso 1 1 calc R . .
O1S O 0.5213(7) 0.0952(4) 0.4715(4) 0.294(7) Uani 1 1 d . . .
C2S C 0.5327(6) 0.0537(5) 0.4355(4) 0.129(4) Uani 1 1 d D . .
C3S C 0.4780(6) -0.0106(5) 0.4201(4) 0.163(5) Uani 1 1 d D . .
H3S1 H 0.4328 -0.0081 0.4402 0.245 Uiso 1 1 calc R . .
H3S2 H 0.5071 -0.0402 0.4250 0.245 Uiso 1 1 calc R . .
H3S3 H 0.4583 -0.0255 0.3852 0.245 Uiso 1 1 calc R . .
C4S C 0.5983(6) 0.0702(5) 0.4073(4) 0.175(5) Uani 1 1 d D . .
H4S1 H 0.5767 0.0622 0.3738 0.263 Uiso 1 1 calc R . .
H4S2 H 0.6373 0.0444 0.4056 0.263 Uiso 1 1 calc R . .
H4S3 H 0.6244 0.1150 0.4238 0.263 Uiso 1 1 calc R . .
C5S C 0.0014(8) -0.4613(6) 0.0453(4) 0.073(4) Uani 0.50 1 d PD . .
H5S1 H 0.0333 -0.4212 0.0689 0.110 Uiso 0.50 1 calc PR . .
H5S2 H 0.0192 -0.4965 0.0496 0.110 Uiso 0.50 1 calc PR . .
H5S3 H -0.0549 -0.4642 0.0512 0.110 Uiso 0.50 1 calc PR . .
C6S C 0.0104(9) -0.4642(9) -0.0016(7) 0.119(7) Uani 0.50 1 d PDU . .
O7S O 0.0126(8) -0.4174(7) -0.0150(4) 0.141(5) Uani 0.50 1 d P . .
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'
Sn Sn -0.6537 1.4246 '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'
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
C61A Sn1 C1A 114.35(15) . . ?
C61A Sn1 C31A 107.88(15) . . ?
C1A Sn1 C31A 106.46(14) . . ?
C61A Sn1 C91A 111.54(15) . . ?
C1A Sn1 C91A 110.39(16) . . ?
C31A Sn1 C91A 105.68(15) . . ?
C6A C1A C2A 118.7(4) . . ?
C6A C1A Sn1 124.1(3) . . ?
C2A C1A Sn1 117.1(3) . . ?
C1A C2A C3A 120.8(4) . . ?
C4A C3A C2A 119.2(4) . . ?
C4A C3A P1A 116.8(3) . . ?
C2A C3A P1A 123.9(3) . . ?
C3A C4A C5A 121.4(4) . . ?
C4A C5A C6A 118.7(4) . . ?
C4A C5A P2A 117.3(3) . . ?
C6A C5A P2A 123.5(3) . . ?
C1A C6A C5A 121.1(4) . . ?
C3A P1A C13A 99.6(2) . . ?
C3A P1A C7A 101.4(2) . . ?
C13A P1A C7A 103.9(2) . . ?
C12A C7A C8A 115.2(6) . . ?
C12A C7A P1A 125.0(4) . . ?
C8A C7A P1A 119.7(5) . . ?
C9A C8A C7A 121.7(6) . . ?
C10A C9A C8A 121.3(7) . . ?
C9A C10A C11A 119.9(7) . . ?
C10A C11A C12A 119.7(7) . . ?
C7A C12A C11A 122.1(6) . . ?
C18A C13A C14A 116.5(5) . . ?
C18A C13A P1A 118.6(4) . . ?
C14A C13A P1A 124.8(5) . . ?
C13A C14A C15A 120.3(6) . . ?
C16A C15A C14A 121.5(7) . . ?
C17A C16A C15A 118.4(6) . . ?
C16A C17A C18A 119.8(6) . . ?
C13A C18A C17A 123.3(5) . . ?
C19A P2A C5A 102.3(2) . . ?
C19A P2A C25A 103.8(2) . . ?
C5A P2A C25A 103.19(19) . . ?
C20A C19A C24A 117.1(4) . . ?
C20A C19A P2A 126.2(4) . . ?
C24A C19A P2A 116.6(4) . . ?
C21A C20A C19A 121.4(5) . . ?
C22A C21A C20A 120.3(5) . . ?
C23A C22A C21A 120.0(5) . . ?
C22A C23A C24A 120.2(5) . . ?
C23A C24A C19A 121.0(5) . . ?
C30A C25A C26A 118.3(4) . . ?
C30A C25A P2A 123.7(4) . . ?
C26A C25A P2A 117.9(4) . . ?
C27A C26A C25A 121.0(5) . . ?
C26A C27A C28A 119.4(5) . . ?
C29A C28A C27A 119.6(5) . . ?
C28A C29A C30A 120.9(5) . . ?
C29A C30A C25A 120.6(5) . . ?
C32A C31A C36A 118.5(4) . . ?
C32A C31A Sn1 121.7(3) . . ?
C36A C31A Sn1 119.8(3) . . ?
C31A C32A C33A 121.3(4) . . ?
C34A C33A C32A 118.7(4) . . ?
C34A C33A P4A 123.1(3) . . ?
C32A C33A P4A 118.2(3) . . ?
C35A C34A C33A 121.0(4) . . ?
C36A C35A C34A 119.3(4) . . ?
C36A C35A P3A 117.7(3) . . ?
C34A C35A P3A 123.0(3) . . ?
C35A C36A C31A 121.2(4) . . ?
C43A P3A C37A 102.9(2) . . ?
C43A P3A C35A 101.47(19) . . ?
C37A P3A C35A 101.48(19) . . ?
C38A C37A C42A 118.2(4) . . ?
C38A C37A P3A 124.3(4) . . ?
C42A C37A P3A 117.2(3) . . ?
C37A C38A C39A 120.3(5) . . ?
C40A C39A C38A 120.6(5) . . ?
C41A C40A C39A 119.5(5) . . ?
C40A C41A C42A 119.8(5) . . ?
C41A C42A C37A 121.5(4) . . ?
C44A C43A C48A 116.7(4) . . ?
C44A C43A P3A 124.1(4) . . ?
C48A C43A P3A 119.0(4) . . ?
C45A C44A C43A 121.2(5) . . ?
C44A C45A C46A 121.3(5) . . ?
C45A C46A C47A 118.7(5) . . ?
C46A C47A C48A 120.7(5) . . ?
C47A C48A C43A 121.4(5) . . ?
C49A P4A C55A 102.6(2) . . ?
C49A P4A C33A 100.59(19) . . ?
C55A P4A C33A 100.95(19) . . ?
C54A C49A C50A 117.2(4) . . ?
C54A C49A P4A 117.5(4) . . ?
C50A C49A P4A 125.3(4) . . ?
C49A C50A C51A 121.1(5) . . ?
C52A C51A C50A 120.5(5) . . ?
C51A C52A C53A 119.2(5) . . ?
C52A C53A C54A 120.0(5) . . ?
C49A C54A C53A 122.1(5) . . ?
C60A C55A C56A 117.2(4) . . ?
C60A C55A P4A 118.8(3) . . ?
C56A C55A P4A 123.9(3) . . ?
C57A C56A C55A 121.3(4) . . ?
C58A C57A C56A 120.4(5) . . ?
C57A C58A C59A 119.0(5) . . ?
C60A C59A C58A 120.8(5) . . ?
C59A C60A C55A 121.3(5) . . ?
C66A C61A C62A 118.0(4) . . ?
C66A C61A Sn1 119.5(3) . . ?
C62A C61A Sn1 122.4(3) . . ?
C63A C62A C61A 121.6(4) . . ?
C62A C63A C64A 118.7(4) . . ?
C62A C63A P5A 118.4(3) . . ?
C64A C63A P5A 122.6(3) . . ?
C65A C64A C63A 121.4(4) . . ?
C64A C65A C66A 118.2(4) . . ?
C64A C65A P6A 118.3(3) . . ?
C66A C65A P6A 123.4(3) . . ?
C61A C66A C65A 122.0(4) . . ?
C73A P5A C63A 104.0(2) . . ?
C73A P5A C67A 102.8(2) . . ?
C63A P5A C67A 98.4(2) . . ?
C68A C67A C72A 118.7(5) . . ?
C68A C67A P5A 116.2(5) . . ?
C72A C67A P5A 125.1(4) . . ?
C67A C68A C69A 120.3(7) . . ?
C70A C69A C68A 118.9(8) . . ?
C71A C70A C69A 121.3(8) . . ?
C70A C71A C72A 119.9(8) . . ?
C71A C72A C67A 120.9(6) . . ?
C74A C73A C78A 117.9(4) . . ?
C74A C73A P5A 124.2(3) . . ?
C78A C73A P5A 117.4(4) . . ?
C73A C74A C75A 121.2(5) . . ?
C76A C75A C74A 120.2(5) . . ?
C77A C76A C75A 119.4(5) . . ?
C76A C77A C78A 120.9(5) . . ?
C77A C78A C73A 120.4(5) . . ?
C85A P6A C79A 102.0(2) . . ?
C85A P6A C65A 100.63(19) . . ?
C79A P6A C65A 103.67(19) . . ?
C84A C79A C80A 117.8(4) . . ?
C84A C79A P6A 125.6(3) . . ?
C80A C79A P6A 116.6(4) . . ?
C81A C80A C79A 120.6(5) . . ?
C82A C81A C80A 119.8(5) . . ?
C83A C82A C81A 120.2(5) . . ?
C82A C83A C84A 120.8(6) . . ?
C83A C84A C79A 120.8(5) . . ?
C86A C85A C90A 118.8(4) . . ?
C86A C85A P6A 123.7(4) . . ?
C90A C85A P6A 117.4(4) . . ?
C85A C86A C87A 120.3(5) . . ?
C88A C87A C86A 120.1(5) . . ?
C89A C88A C87A 119.5(5) . . ?
C90A C89A C88A 120.6(5) . . ?
C89A C90A C85A 120.7(5) . . ?
C92A C91A C96A 118.4(4) . . ?
C92A C91A Sn1 122.7(3) . . ?
C96A C91A Sn1 118.9(3) . . ?
C91A C92A C93A 121.1(4) . . ?
C94A C93A C92A 119.5(4) . . ?
C94A C93A P7A 122.9(4) . . ?
C92A C93A P7A 117.5(3) . . ?
C93A C94A C95A 121.2(4) . . ?
C96A C95A C94A 118.3(4) . . ?
C96A C95A P8A 118.6(3) . . ?
C94A C95A P8A 123.0(3) . . ?
C95A C96A C91A 121.4(4) . . ?
C97A P7A C103 100.2(3) . . ?
C97A P7A C93A 101.9(3) . . ?
C103 P7A C93A 106.7(2) . . ?
C98A C97A C102 107.3(7) . . ?
C98A C97A P7A 134.0(5) . . ?
C102 C97A P7A 117.8(5) . . ?
C97A C98A C99A 128.4(7) . . ?
C100 C99A C98A 119.0(9) . . ?
C99A C100 C101 120.1(9) . . ?
C100 C101 C102 118.6(9) . . ?
C101 C102 C97A 126.5(9) . . ?
C108 C103 C104 117.1(5) . . ?
C108 C103 P7A 118.2(4) . . ?
C104 C103 P7A 124.5(4) . . ?
C105 C104 C103 120.5(5) . . ?
C104 C105 C106 120.6(5) . . ?
C107 C106 C105 119.9(5) . . ?
C108 C107 C106 118.9(6) . . ?
C107 C108 C103 122.9(5) . . ?
C109 P8A C115 101.6(2) . . ?
C109 P8A C95A 102.2(2) . . ?
C115 P8A C95A 102.4(2) . . ?
C110 C109 C114 116.8(5) . . ?
C110 C109 P8A 125.0(4) . . ?
C114 C109 P8A 118.2(4) . . ?
C111 C110 C109 121.9(5) . . ?
C110 C111 C112 119.7(5) . . ?
C113 C112 C111 119.6(5) . . ?
C112 C113 C114 120.5(5) . . ?
C113 C114 C109 121.4(5) . . ?
C120 C115 C116 116.8(5) . . ?
C120 C115 P8A 119.5(4) . . ?
C116 C115 P8A 123.5(4) . . ?
C115 C116 C117 120.4(5) . . ?
C118 C117 C116 120.8(5) . . ?
C119 C118 C117 119.5(5) . . ?
C118 C119 C120 120.0(5) . . ?
C119 C120 C115 122.4(5) . . ?
C61B Sn2 C31B 111.24(15) . . ?
C61B Sn2 C91B 111.08(16) . . ?
C31B Sn2 C91B 111.70(15) . . ?
C61B Sn2 C1B 110.84(15) . . ?
C31B Sn2 C1B 109.33(14) . . ?
C91B Sn2 C1B 102.32(15) . . ?
C2B C1B C6B 118.3(4) . . ?
C2B C1B Sn2 121.5(3) . . ?
C6B C1B Sn2 119.9(3) . . ?
C1B C2B C3B 122.0(4) . . ?
C2B C3B C4B 118.3(4) . . ?
C2B C3B P2B 118.5(3) . . ?
C4B C3B P2B 123.2(3) . . ?
C5B C4B C3B 121.1(4) . . ?
C6B C5B C4B 119.0(4) . . ?
C6B C5B P1B 117.9(3) . . ?
C4B C5B P1B 123.1(3) . . ?
C5B C6B C1B 121.2(4) . . ?
C7B P1B C13B 101.93(19) . . ?
C7B P1B C5B 102.31(19) . . ?
C13B P1B C5B 102.54(18) . . ?
C8B C7B C12B 118.2(4) . . ?
C8B C7B P1B 117.5(3) . . ?
C12B C7B P1B 124.2(3) . . ?
C9B C8B C7B 120.4(5) . . ?
C10B C9B C8B 120.4(5) . . ?
C9B C10B C11B 120.1(5) . . ?
C10B C11B C12B 120.3(5) . . ?
C11B C12B C7B 120.5(5) . . ?
C18B C13B C14B 118.6(4) . . ?
C18B C13B P1B 122.9(3) . . ?
C14B C13B P1B 118.2(3) . . ?
C15B C14B C13B 120.6(4) . . ?
C14B C15B C16B 119.9(4) . . ?
C17B C16B C15B 119.7(4) . . ?
C16B C17B C18B 120.0(4) . . ?
C17B C18B C13B 121.1(4) . . ?
C19B P2B C25B 102.63(19) . . ?
C19B P2B C3B 101.49(19) . . ?
C25B P2B C3B 100.72(18) . . ?
C24B C19B C20B 116.5(4) . . ?
C24B C19B P2B 124.8(3) . . ?
C20B C19B P2B 118.6(4) . . ?
C21B C20B C19B 121.5(5) . . ?
C20B C21B C22B 120.7(5) . . ?
C21B C22B C23B 119.5(5) . . ?
C22B C23B C24B 119.3(5) . . ?
C23B C24B C19B 122.5(4) . . ?
C30B C25B C26B 118.7(4) . . ?
C30B C25B P2B 116.6(3) . . ?
C26B C25B P2B 124.7(3) . . ?
C27B C26B C25B 120.3(4) . . ?
C28B C27B C26B 119.7(4) . . ?
C29B C28B C27B 120.4(4) . . ?
C28B C29B C30B 119.8(4) . . ?
C25B C30B C29B 121.0(4) . . ?
C36B C31B C32B 117.9(4) . . ?
C36B C31B Sn2 121.6(3) . . ?
C32B C31B Sn2 120.5(3) . . ?
C33B C32B C31B 122.0(4) . . ?
C32B C33B C34B 118.0(4) . . ?
C32B C33B P3B 119.2(3) . . ?
C34B C33B P3B 122.7(3) . . ?
C33B C34B C35B 122.0(4) . . ?
C36B C35B C34B 117.9(4) . . ?
C36B C35B P4B 125.8(3) . . ?
C34B C35B P4B 116.1(3) . . ?
C31B C36B C35B 122.1(4) . . ?
C43B P3B C33B 103.20(19) . . ?
C43B P3B C37B 102.33(19) . . ?
C33B P3B C37B 99.87(19) . . ?
C42B C37B C38B 118.4(4) . . ?
C42B C37B P3B 124.8(4) . . ?
C38B C37B P3B 116.8(4) . . ?
C37B C38B C39B 120.4(5) . . ?
C40B C39B C38B 120.1(5) . . ?
C39B C40B C41B 120.6(5) . . ?
C40B C41B C42B 119.6(5) . . ?
C37B C42B C41B 120.9(5) . . ?
C48B C43B C44B 117.7(4) . . ?
C48B C43B P3B 124.5(3) . . ?
C44B C43B P3B 117.3(3) . . ?
C45B C44B C43B 121.0(5) . . ?
C46B C45B C44B 120.2(5) . . ?
C47B C46B C45B 119.8(5) . . ?
C46B C47B C48B 120.6(5) . . ?
C43B C48B C47B 120.6(4) . . ?
C55B P4B C49B 103.0(2) . . ?
C55B P4B C35B 103.80(19) . . ?
C49B P4B C35B 102.87(19) . . ?
C50B C49B C54B 116.9(4) . . ?
C50B C49B P4B 126.3(3) . . ?
C54B C49B P4B 116.9(3) . . ?
C51B C50B C49B 121.5(4) . . ?
C50B C51B C52B 120.6(5) . . ?
C53B C52B C51B 119.2(5) . . ?
C52B C53B C54B 121.0(5) . . ?
C53B C54B C49B 120.9(5) . . ?
C60B C55B C56B 119.0(5) . . ?
C60B C55B P4B 125.1(4) . . ?
C56B C55B P4B 115.5(5) . . ?
C57B C56B C55B 120.7(7) . . ?
C58B C57B C56B 118.0(8) . . ?
C57B C58B C59B 123.7(7) . . ?
C58B C59B C60B 117.1(7) . . ?
C55B C60B C59B 121.3(7) . . ?
C62B C61B C66B 117.1(4) . . ?
C62B C61B Sn2 122.1(3) . . ?
C66B C61B Sn2 120.8(3) . . ?
C61B C62B C63B 123.0(4) . . ?
C64B C63B C62B 116.7(4) . . ?
C64B C63B P5B 118.4(4) . . ?
C62B C63B P5B 124.1(4) . . ?
C65B C64B C63B 123.0(4) . . ?
C64B C65B C66B 118.4(4) . . ?
C64B C65B P6B 116.7(3) . . ?
C66B C65B P6B 124.9(4) . . ?
C65B C66B C61B 121.8(4) . . ?
C63B P5B C67B 104.9(2) . . ?
C63B P5B C73B 102.5(2) . . ?
C67B P5B C73B 102.8(2) . . ?
C68B C67B C72B 117.9(6) . . ?
C68B C67B P5B 116.1(5) . . ?
C72B C67B P5B 125.8(4) . . ?
C69B C68B C67B 122.7(7) . . ?
C70B C69B C68B 119.3(6) . . ?
C69B C70B C71B 120.7(6) . . ?
C70B C71B C72B 119.3(7) . . ?
C67B C72B C71B 120.0(6) . . ?
C78B C73B C74B 118.7(5) . . ?
C78B C73B P5B 116.6(4) . . ?
C74B C73B P5B 124.6(4) . . ?
C75B C74B C73B 120.9(5) . . ?
C74B C75B C76B 120.7(5) . . ?
C77B C76B C75B 118.9(5) . . ?
C76B C77B C78B 120.1(5) . . ?
C73B C78B C77B 120.6(5) . . ?
C79B P6B C85B 103.2(2) . . ?
C79B P6B C65B 102.2(2) . . ?
C85B P6B C65B 100.9(2) . . ?
C84B C79B C80B 117.1(5) . . ?
C84B C79B P6B 125.7(4) . . ?
C80B C79B P6B 117.1(4) . . ?
C81B C80B C79B 121.1(6) . . ?
C82B C81B C80B 120.4(6) . . ?
C81B C82B C83B 120.6(6) . . ?
C82B C83B C84B 118.5(6) . . ?
C79B C84B C83B 122.3(6) . . ?
C86B C85B C90B 118.1(5) . . ?
C86B C85B P6B 125.2(4) . . ?
C90B C85B P6B 116.7(4) . . ?
C87B C86B C85B 120.5(5) . . ?
C86B C87B C88B 121.0(6) . . ?
C89B C88B C87B 118.5(5) . . ?
C88B C89B C90B 120.7(5) . . ?
C89B C90B C85B 121.2(5) . . ?
C92B C91B C96B 118.5(4) . . ?
C92B C91B Sn2 119.3(3) . . ?
C96B C91B Sn2 122.2(3) . . ?
C91B C92B C93B 121.8(4) . . ?
C94B C93B C92B 118.1(4) . . ?
C94B C93B P7B 121.9(3) . . ?
C92B C93B P7B 120.0(3) . . ?
C95B C94B C93B 121.8(4) . . ?
C94B C95B C96B 118.5(4) . . ?
C94B C95B P8B 124.8(3) . . ?
C96B C95B P8B 116.6(3) . . ?
C91B C96B C95B 121.4(4) . . ?
C124 P7B C97B 102.5(2) . . ?
C124 P7B C93B 101.6(2) . . ?
C97B P7B C93B 100.03(19) . . ?
C123 C97B C98B 117.7(5) . . ?
C123 C97B P7B 116.9(4) . . ?
C98B C97B P7B 125.3(4) . . ?
C97B C98B C99B 121.0(5) . . ?
C121 C99B C98B 120.6(5) . . ?
C99B C121 C122 119.5(5) . . ?
C121 C122 C123 120.0(5) . . ?
C97B C123 C122 121.1(5) . . ?
C129 C124 C125 117.6(4) . . ?
C129 C124 P7B 119.2(4) . . ?
C125 C124 P7B 123.0(3) . . ?
C126 C125 C124 120.3(5) . . ?
C127 C126 C125 120.9(5) . . ?
C126 C127 C128 119.3(5) . . ?
C127 C128 C129 120.4(5) . . ?
C124 C129 C128 121.4(5) . . ?
C136 P8B C95B 100.7(2) . . ?
C136 P8B C130 102.7(2) . . ?
C95B P8B C130 103.3(2) . . ?
C135 C130 C131 118.1(4) . . ?
C135 C130 P8B 121.9(3) . . ?
C131 C130 P8B 119.0(3) . . ?
C132 C131 C130 120.0(4) . . ?
C133 C132 C131 120.6(4) . . ?
C132 C133 C134 120.3(5) . . ?
C133 C134 C135 119.7(5) . . ?
C130 C135 C134 121.2(4) . . ?
C141 C136 C137 117.1(5) . . ?
C141 C136 P8B 125.1(4) . . ?
C137 C136 P8B 117.8(4) . . ?
C138 C137 C136 120.1(6) . . ?
C139 C138 C137 121.4(6) . . ?
C138 C139 C140 119.6(6) . . ?
C139 C140 C141 120.0(6) . . ?
C136 C141 C140 121.7(5) . . ?
O1S C2S C4S 116.9(11) . . ?
O1S C2S C3S 118.8(12) . . ?
C4S C2S C3S 124.2(9) . . ?
O7S C6S C5S 124.2(17) . . ?
O7S C6S C6S 164(2) . 2_545 ?
C5S C6S C6S 67.5(12) . 2_545 ?
O7S C6S C5S 119.6(16) . 2_545 ?
C5S C6S C5S 114.9(13) . 2_545 ?
C6S C6S C5S 47.4(9) 2_545 2_545 ?
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 C61A 2.140(4) . ?
Sn1 C1A 2.143(4) . ?
Sn1 C31A 2.152(4) . ?
Sn1 C91A 2.158(4) . ?
C1A C6A 1.396(5) . ?
C1A C2A 1.402(6) . ?
C2A C3A 1.405(6) . ?
C3A C4A 1.377(6) . ?
C3A P1A 1.834(5) . ?
C4A C5A 1.400(6) . ?
C5A C6A 1.402(6) . ?
C5A P2A 1.836(4) . ?
P1A C13A 1.835(5) . ?
P1A C7A 1.835(6) . ?
C7A C12A 1.367(8) . ?
C7A C8A 1.389(7) . ?
C8A C9A 1.380(9) . ?
C9A C10A 1.305(9) . ?
C10A C11A 1.357(8) . ?
C11A C12A 1.388(8) . ?
C13A C18A 1.360(7) . ?
C13A C14A 1.384(7) . ?
C14A C15A 1.385(8) . ?
C15A C16A 1.384(8) . ?
C16A C17A 1.339(8) . ?
C17A C18A 1.394(7) . ?
P2A C19A 1.828(5) . ?
P2A C25A 1.837(5) . ?
C19A C20A 1.386(6) . ?
C19A C24A 1.404(6) . ?
C20A C21A 1.382(6) . ?
C21A C22A 1.376(7) . ?
C22A C23A 1.360(8) . ?
C23A C24A 1.392(7) . ?
C25A C30A 1.384(6) . ?
C25A C26A 1.392(6) . ?
C26A C27A 1.389(7) . ?
C27A C28A 1.390(8) . ?
C28A C29A 1.368(7) . ?
C29A C30A 1.380(7) . ?
C31A C32A 1.393(5) . ?
C31A C36A 1.402(5) . ?
C32A C33A 1.399(5) . ?
C33A C34A 1.396(5) . ?
C33A P4A 1.834(4) . ?
C34A C35A 1.390(5) . ?
C35A C36A 1.388(5) . ?
C35A P3A 1.835(4) . ?
P3A C43A 1.821(5) . ?
P3A C37A 1.828(4) . ?
C37A C38A 1.381(6) . ?
C37A C42A 1.386(6) . ?
C38A C39A 1.387(7) . ?
C39A C40A 1.384(8) . ?
C40A C41A 1.366(7) . ?
C41A C42A 1.384(6) . ?
C43A C44A 1.394(6) . ?
C43A C48A 1.395(6) . ?
C44A C45A 1.368(6) . ?
C45A C46A 1.368(8) . ?
C46A C47A 1.373(8) . ?
C47A C48A 1.373(7) . ?
P4A C49A 1.830(5) . ?
P4A C55A 1.833(4) . ?
C49A C54A 1.382(6) . ?
C49A C50A 1.394(6) . ?
C50A C51A 1.399(7) . ?
C51A C52A 1.372(7) . ?
C52A C53A 1.386(7) . ?
C53A C54A 1.388(6) . ?
C55A C60A 1.392(6) . ?
C55A C56A 1.393(6) . ?
C56A C57A 1.377(6) . ?
C57A C58A 1.367(6) . ?
C58A C59A 1.386(7) . ?
C59A C60A 1.359(6) . ?
C61A C66A 1.391(5) . ?
C61A C62A 1.397(5) . ?
C62A C63A 1.390(5) . ?
C63A C64A 1.395(5) . ?
C63A P5A 1.839(4) . ?
C64A C65A 1.392(5) . ?
C65A C66A 1.396(5) . ?
C65A P6A 1.834(4) . ?
P5A C73A 1.821(4) . ?
P5A C67A 1.844(5) . ?
C67A C68A 1.388(7) . ?
C67A C72A 1.390(7) . ?
C68A C69A 1.396(9) . ?
C69A C70A 1.384(12) . ?
C70A C71A 1.356(11) . ?
C71A C72A 1.374(8) . ?
C73A C74A 1.382(6) . ?
C73A C78A 1.402(6) . ?
C74A C75A 1.389(6) . ?
C75A C76A 1.380(7) . ?
C76A C77A 1.369(7) . ?
C77A C78A 1.387(7) . ?
P6A C85A 1.826(5) . ?
P6A C79A 1.829(5) . ?
C79A C84A 1.381(6) . ?
C79A C80A 1.399(6) . ?
C80A C81A 1.383(7) . ?
C81A C82A 1.369(8) . ?
C82A C83A 1.353(8) . ?
C83A C84A 1.375(6) . ?
C85A C86A 1.371(6) . ?
C85A C90A 1.391(6) . ?
C86A C87A 1.397(6) . ?
C87A C88A 1.376(7) . ?
C88A C89A 1.371(8) . ?
C89A C90A 1.370(7) . ?
C91A C92A 1.388(5) . ?
C91A C96A 1.404(6) . ?
C92A C93A 1.401(6) . ?
C93A C94A 1.373(6) . ?
C93A P7A 1.823(4) . ?
C94A C95A 1.404(6) . ?
C95A C96A 1.394(5) . ?
C95A P8A 1.834(4) . ?
P7A C97A 1.633(7) . ?
P7A C103 1.812(5) . ?
C97A C98A 1.377(8) . ?
C97A C102 1.515(9) . ?
C98A C99A 1.467(9) . ?
C99A C100 1.350(10) . ?
C100 C101 1.404(12) . ?
C101 C102 1.405(10) . ?
C103 C108 1.389(7) . ?
C103 C104 1.400(6) . ?
C104 C105 1.379(7) . ?
C105 C106 1.383(7) . ?
C106 C107 1.382(7) . ?
C107 C108 1.369(7) . ?
P8A C109 1.823(5) . ?
P8A C115 1.827(5) . ?
C109 C110 1.390(6) . ?
C109 C114 1.392(6) . ?
C110 C111 1.378(7) . ?
C111 C112 1.383(7) . ?
C112 C113 1.363(7) . ?
C113 C114 1.380(7) . ?
C115 C120 1.390(6) . ?
C115 C116 1.393(7) . ?
C116 C117 1.397(7) . ?
C117 C118 1.384(7) . ?
C118 C119 1.349(7) . ?
C119 C120 1.390(7) . ?
Sn2 C61B 2.130(4) . ?
Sn2 C31B 2.134(4) . ?
Sn2 C91B 2.144(4) . ?
Sn2 C1B 2.149(4) . ?
C1B C2B 1.384(5) . ?
C1B C6B 1.397(5) . ?
C2B C3B 1.388(5) . ?
C3B C4B 1.397(5) . ?
C3B P2B 1.848(4) . ?
C4B C5B 1.390(5) . ?
C5B C6B 1.388(5) . ?
C5B P1B 1.841(4) . ?
P1B C7B 1.820(4) . ?
P1B C13B 1.834(4) . ?
C7B C8B 1.391(6) . ?
C7B C12B 1.404(6) . ?
C8B C9B 1.385(6) . ?
C9B C10B 1.372(7) . ?
C10B C11B 1.376(7) . ?
C11B C12B 1.378(6) . ?
C13B C18B 1.382(5) . ?
C13B C14B 1.389(5) . ?
C14B C15B 1.384(6) . ?
C15B C16B 1.386(6) . ?
C16B C17B 1.377(6) . ?
C17B C18B 1.380(6) . ?
P2B C19B 1.817(5) . ?
P2B C25B 1.834(4) . ?
C19B C24B 1.393(6) . ?
C19B C20B 1.399(6) . ?
C20B C21B 1.376(6) . ?
C21B C22B 1.381(7) . ?
C22B C23B 1.382(7) . ?
C23B C24B 1.386(6) . ?
C25B C30B 1.379(6) . ?
C25B C26B 1.398(6) . ?
C26B C27B 1.392(6) . ?
C27B C28B 1.384(6) . ?
C28B C29B 1.368(6) . ?
C29B C30B 1.392(6) . ?
C31B C36B 1.390(5) . ?
C31B C32B 1.405(5) . ?
C32B C33B 1.387(5) . ?
C33B C34B 1.395(5) . ?
C33B P3B 1.834(4) . ?
C34B C35B 1.398(5) . ?
C35B C36B 1.393(5) . ?
C35B P4B 1.834(4) . ?
P3B C43B 1.827(4) . ?
P3B C37B 1.836(4) . ?
C37B C42B 1.383(6) . ?
C37B C38B 1.386(6) . ?
C38B C39B 1.398(7) . ?
C39B C40B 1.358(8) . ?
C40B C41B 1.373(7) . ?
C41B C42B 1.392(6) . ?
C43B C48B 1.387(6) . ?
C43B C44B 1.404(6) . ?
C44B C45B 1.388(6) . ?
C45B C46B 1.373(7) . ?
C46B C47B 1.371(7) . ?
C47B C48B 1.398(6) . ?
P4B C55B 1.824(5) . ?
P4B C49B 1.825(4) . ?
C49B C50B 1.389(6) . ?
C49B C54B 1.402(6) . ?
C50B C51B 1.373(6) . ?
C51B C52B 1.377(7) . ?
C52B C53B 1.361(7) . ?
C53B C54B 1.379(7) . ?
C55B C60B 1.352(7) . ?
C55B C56B 1.416(7) . ?
C56B C57B 1.385(9) . ?
C57B C58B 1.358(10) . ?
C58B C59B 1.376(10) . ?
C59B C60B 1.414(8) . ?
C61B C62B 1.395(6) . ?
C61B C66B 1.401(6) . ?
C62B C63B 1.405(6) . ?
C63B C64B 1.393(6) . ?
C63B P5B 1.816(5) . ?
C64B C65B 1.375(6) . ?
C65B C66B 1.399(6) . ?
C65B P6B 1.842(5) . ?
P5B C67B 1.821(6) . ?
P5B C73B 1.836(5) . ?
C67B C68B 1.370(7) . ?
C67B C72B 1.376(7) . ?
C68B C69B 1.357(9) . ?
C69B C70B 1.341(9) . ?
C70B C71B 1.383(8) . ?
C71B C72B 1.388(8) . ?
C73B C78B 1.364(6) . ?
C73B C74B 1.375(7) . ?
C74B C75B 1.370(7) . ?
C75B C76B 1.374(7) . ?
C76B C77B 1.370(7) . ?
C77B C78B 1.395(7) . ?
P6B C79B 1.813(5) . ?
P6B C85B 1.834(5) . ?
C79B C84B 1.381(7) . ?
C79B C80B 1.397(7) . ?
C80B C81B 1.382(8) . ?
C81B C82B 1.360(8) . ?
C82B C83B 1.382(8) . ?
C83B C84B 1.394(8) . ?
C85B C86B 1.374(6) . ?
C85B C90B 1.383(6) . ?
C86B C87B 1.370(7) . ?
C87B C88B 1.384(7) . ?
C88B C89B 1.361(7) . ?
C89B C90B 1.367(7) . ?
C91B C92B 1.388(5) . ?
C91B C96B 1.391(5) . ?
C92B C93B 1.395(5) . ?
C93B C94B 1.392(5) . ?
C93B P7B 1.837(4) . ?
C94B C95B 1.387(6) . ?
C95B C96B 1.395(5) . ?
C95B P8B 1.835(4) . ?
P7B C124 1.824(5) . ?
P7B C97B 1.833(5) . ?
C97B C123 1.376(7) . ?
C97B C98B 1.379(6) . ?
C98B C99B 1.384(6) . ?
C99B C121 1.357(7) . ?
C121 C122 1.368(8) . ?
C122 C123 1.392(8) . ?
C124 C129 1.381(6) . ?
C124 C125 1.409(6) . ?
C125 C126 1.394(7) . ?
C126 C127 1.364(6) . ?
C127 C128 1.383(7) . ?
C128 C129 1.384(6) . ?
P8B C136 1.834(5) . ?
P8B C130 1.843(5) . ?
C130 C135 1.370(6) . ?
C130 C131 1.402(6) . ?
C131 C132 1.387(6) . ?
C132 C133 1.353(6) . ?
C133 C134 1.371(6) . ?
C134 C135 1.388(6) . ?
C136 C141 1.375(7) . ?
C136 C137 1.403(6) . ?
C137 C138 1.382(8) . ?
C138 C139 1.356(8) . ?
C139 C140 1.360(7) . ?
C140 C141 1.389(7) . ?
O1S C2S 1.166(10) . ?
C2S C4S 1.452(11) . ?
C2S C3S 1.473(10) . ?
C5S C6S 1.333(15) . ?
C6S O7S 1.259(18) . ?
C6S C6S 1.64(3) 2_545 ?
C6S C5S 1.67(2) 2_545 ?
