#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/52/7105293.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_7105293
loop_
_publ_author_name
'Guo, Jiayi'
'Lau, Kai-Chung'
'Xi, Hong-Wei'
'Lim, Kok Hwa'
'So, Cheuk-Wai'
_publ_section_title
;
 Synthesis and characterization of a tin(II)
 bis(phosphinoyl)methanediide complex: a stannavinylidene derivative.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1929
_journal_page_last               1931
_journal_paper_doi               10.1039/b922377k
_journal_volume                  46
_journal_year                    2010
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C34 H48 N2 P2 S Si3 Sn, 0.5(C4 H10 O)'
_chemical_formula_sum            'C36 H53 N2 O0.5 P2 S Si3 Sn'
_chemical_formula_weight         818.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 110.8640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2762(3)
_cell_length_b                   40.3235(12)
_cell_length_c                   11.5632(3)
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      27.18
_cell_measurement_theta_min      2.42
_cell_volume                     4041.6(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            46207
_diffrn_reflns_theta_full        27.32
_diffrn_reflns_theta_max         27.32
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    0.880
_exptl_absorpt_correction_T_max  0.9171
_exptl_absorpt_correction_T_min  0.7197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1700
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.863
_refine_diff_density_min         -1.403
_refine_diff_density_rms         0.112
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.463(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     841
_refine_ls_number_reflns         17778
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0367
_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)+(0.0202P)²+3.4809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0683
_refine_ls_wR_factor_ref         0.0750
_reflns_number_gt                15592
_reflns_number_total             17778
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b922377k.txt
_cod_data_source_block           scw63s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_original_formula_sum        'C36 H53 N2 O0.50 P2 S Si3 Sn'
_cod_database_code               7105293
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
C1 C -0.1997(5) 0.28621(9) -0.2264(4) 0.0128(9) Uani 1 1 d . . .
C2 C -0.1994(5) 0.27805(10) -0.3436(4) 0.0146(9) Uani 1 1 d . . .
H2 H -0.1297 0.2888 -0.3748 0.018 Uiso 1 1 calc R . .
C3 C -0.2998(5) 0.25438(10) -0.4144(4) 0.0181(9) Uani 1 1 d . . .
H3 H -0.2983 0.2487 -0.4938 0.022 Uiso 1 1 calc R . .
C4 C -0.4030(5) 0.23883(11) -0.3699(4) 0.0182(10) Uani 1 1 d . . .
H4 H -0.4722 0.2226 -0.4187 0.022 Uiso 1 1 calc R . .
C5 C -0.4047(6) 0.24712(11) -0.2538(4) 0.0187(10) Uani 1 1 d . . .
H5 H -0.4755 0.2365 -0.2234 0.022 Uiso 1 1 calc R . .
C6 C -0.3051(5) 0.27062(10) -0.1825(4) 0.0142(9) Uani 1 1 d . . .
H6 H -0.3076 0.2763 -0.1035 0.017 Uiso 1 1 calc R . .
C7 C -0.0305(5) 0.34512(10) -0.2339(4) 0.0120(8) Uani 1 1 d . . .
C8 C -0.1597(5) 0.36033(11) -0.3222(4) 0.0179(10) Uani 1 1 d . . .
H8 H -0.2605 0.3537 -0.3283 0.022 Uiso 1 1 calc R . .
C9 C -0.1419(6) 0.38446(11) -0.3991(4) 0.0215(10) Uani 1 1 d . . .
H9 H -0.2302 0.3943 -0.4587 0.026 Uiso 1 1 calc R . .
C10 C 0.0051(6) 0.39462(12) -0.3905(4) 0.0216(11) Uani 1 1 d . . .
H10 H 0.0174 0.4119 -0.4420 0.026 Uiso 1 1 calc R . .
C11 C 0.1326(6) 0.37931(11) -0.3065(4) 0.0210(10) Uani 1 1 d . . .
H11 H 0.2330 0.3856 -0.3023 0.025 Uiso 1 1 calc R . .
C12 C 0.1156(5) 0.35462(10) -0.2276(4) 0.0148(9) Uani 1 1 d . . .
H12 H 0.2041 0.3444 -0.1697 0.018 Uiso 1 1 calc R . .
C13 C 0.1087(4) 0.29474(11) -0.0346(3) 0.0118(8) Uani 1 1 d . . .
H13 H 0.1925 0.3118 -0.0105 0.014 Uiso 1 1 calc R . .
C14 C 0.0858(5) 0.22323(9) -0.0440(4) 0.0145(9) Uani 1 1 d . . .
C15 C -0.0345(5) 0.20833(10) -0.1397(4) 0.0209(10) Uani 1 1 d . . .
H15 H -0.0594 0.2157 -0.2227 0.025 Uiso 1 1 calc R . .
C16 C -0.1179(5) 0.18257(10) -0.1125(5) 0.0265(11) Uani 1 1 d . . .
H16 H -0.1996 0.1724 -0.1775 0.032 Uiso 1 1 calc R . .
C17 C -0.0836(6) 0.17184(12) 0.0063(5) 0.0260(11) Uani 1 1 d . . .
H17 H -0.1420 0.1545 0.0237 0.031 Uiso 1 1 calc R . .
C18 C 0.0360(6) 0.18628(12) 0.1012(5) 0.0269(11) Uani 1 1 d . . .
H18 H 0.0606 0.1785 0.1836 0.032 Uiso 1 1 calc R . .
C19 C 0.1214(6) 0.21223(10) 0.0770(4) 0.0214(10) Uani 1 1 d . . .
H19 H 0.2029 0.2222 0.1427 0.026 Uiso 1 1 calc R . .
C20 C 0.3824(5) 0.25547(10) 0.0377(4) 0.0124(9) Uani 1 1 d . . .
C21 C 0.4331(5) 0.27416(10) 0.1471(4) 0.0168(9) Uani 1 1 d . . .
H21 H 0.3645 0.2892 0.1642 0.020 Uiso 1 1 calc R . .
C22 C 0.5832(6) 0.27079(11) 0.2305(4) 0.0211(10) Uani 1 1 d . . .
H22 H 0.6168 0.2835 0.3046 0.025 Uiso 1 1 calc R . .
C23 C 0.6836(6) 0.24901(12) 0.2061(5) 0.0233(11) Uani 1 1 d . . .
H23 H 0.7861 0.2467 0.2634 0.028 Uiso 1 1 calc R . .
C24 C 0.6352(5) 0.23054(12) 0.0982(4) 0.0229(11) Uani 1 1 d . . .
H24 H 0.7049 0.2159 0.0807 0.028 Uiso 1 1 calc R . .
C25 C 0.4843(5) 0.23344(11) 0.0154(4) 0.0186(10) Uani 1 1 d . . .
H25 H 0.4508 0.2202 -0.0573 0.022 Uiso 1 1 calc R . .
C26 C 0.2214(6) 0.25622(10) 0.4045(4) 0.0233(11) Uani 1 1 d . . .
H26A H 0.1302 0.2461 0.3429 0.035 Uiso 1 1 calc R . .
H26B H 0.2371 0.2468 0.4863 0.035 Uiso 1 1 calc R . .
H26C H 0.3122 0.2517 0.3825 0.035 Uiso 1 1 calc R . .
C27 C 0.3531(5) 0.31807(11) 0.5469(4) 0.0217(10) Uani 1 1 d . . .
H27A H 0.4519 0.3139 0.5366 0.032 Uiso 1 1 calc R . .
H27B H 0.3514 0.3066 0.6211 0.032 Uiso 1 1 calc R . .
H27C H 0.3405 0.3420 0.5557 0.032 Uiso 1 1 calc R . .
C28 C 0.0110(6) 0.30914(12) 0.4411(4) 0.0255(12) Uani 1 1 d . . .
H28A H -0.0047 0.3330 0.4487 0.038 Uiso 1 1 calc R . .
H28B H 0.0194 0.2980 0.5185 0.038 Uiso 1 1 calc R . .
H28C H -0.0768 0.3000 0.3731 0.038 Uiso 1 1 calc R . .
C29 C 0.2553(5) 0.37004(11) 0.1050(4) 0.0197(10) Uani 1 1 d . . .
H29A H 0.3190 0.3547 0.0780 0.030 Uiso 1 1 calc R . .
H29B H 0.2936 0.3927 0.1057 0.030 Uiso 1 1 calc R . .
H29C H 0.1481 0.3687 0.0477 0.030 Uiso 1 1 calc R . .
C30 C 0.4769(6) 0.36107(15) 0.3578(5) 0.0304(14) Uani 1 1 d . . .
H30A H 0.4913 0.3650 0.4448 0.046 Uiso 1 1 calc R . .
H30B H 0.5230 0.3793 0.3270 0.046 Uiso 1 1 calc R . .
H30C H 0.5270 0.3402 0.3504 0.046 Uiso 1 1 calc R . .
C31 C 0.1692(6) 0.39215(11) 0.3221(4) 0.0248(11) Uani 1 1 d . . .
H31A H 0.0620 0.3946 0.2658 0.037 Uiso 1 1 calc R . .
H31B H 0.2243 0.4131 0.3259 0.037 Uiso 1 1 calc R . .
H31C H 0.1710 0.3864 0.4049 0.037 Uiso 1 1 calc R . .
C32 C -0.2704(6) 0.35402(12) 0.1363(5) 0.0253(12) Uani 1 1 d . . .
H32A H -0.3084 0.3316 0.1419 0.038 Uiso 1 1 calc R . .
H32B H -0.3433 0.3704 0.1462 0.038 Uiso 1 1 calc R . .
H32C H -0.1694 0.3571 0.2018 0.038 Uiso 1 1 calc R . .
C33 C -0.1842(6) 0.40230(11) -0.0342(5) 0.0245(11) Uani 1 1 d . . .
H33A H -0.0839 0.4063 0.0310 0.037 Uiso 1 1 calc R . .
H33B H -0.2593 0.4185 -0.0272 0.037 Uiso 1 1 calc R . .
H33C H -0.1740 0.4045 -0.1153 0.037 Uiso 1 1 calc R . .
C34 C -0.4460(6) 0.35344(13) -0.1373(5) 0.0307(13) Uani 1 1 d . . .
H34A H -0.4396 0.3560 -0.2196 0.046 Uiso 1 1 calc R . .
H34B H -0.5176 0.3699 -0.1262 0.046 Uiso 1 1 calc R . .
H34C H -0.4832 0.3311 -0.1294 0.046 Uiso 1 1 calc R . .
C35 C 0.4274(5) -0.00328(10) 0.5080(4) 0.0127(9) Uani 1 1 d . . .
C36 C 0.5726(5) -0.01372(10) 0.5146(4) 0.0163(9) Uani 1 1 d . . .
H36 H 0.6618 -0.0039 0.5734 0.020 Uiso 1 1 calc R . .
C37 C 0.5888(5) -0.03832(11) 0.4363(4) 0.0178(10) Uani 1 1 d . . .
H37 H 0.6888 -0.0453 0.4418 0.021 Uiso 1 1 calc R . .
C38 C 0.4601(6) -0.05252(12) 0.3508(4) 0.0203(11) Uani 1 1 d . . .
H38 H 0.4717 -0.0695 0.2979 0.024 Uiso 1 1 calc R . .
C39 C 0.3137(6) -0.04227(11) 0.3411(4) 0.0224(11) Uani 1 1 d . . .
H39 H 0.2253 -0.0522 0.2817 0.027 Uiso 1 1 calc R . .
C40 C 0.2967(5) -0.01739(11) 0.4188(4) 0.0176(10) Uani 1 1 d . . .
H40 H 0.1966 -0.0100 0.4114 0.021 Uiso 1 1 calc R . .
C41 C 0.2664(5) 0.05669(9) 0.5194(4) 0.0130(9) Uani 1 1 d . . .
C42 C 0.2716(5) 0.06553(10) 0.4034(4) 0.0163(9) Uani 1 1 d . . .
H42 H 0.3422 0.0549 0.3729 0.020 Uiso 1 1 calc R . .
C43 C 0.1733(5) 0.08988(11) 0.3337(4) 0.0205(10) Uani 1 1 d . . .
H43 H 0.1769 0.0960 0.2554 0.025 Uiso 1 1 calc R . .
C44 C 0.0702(5) 0.10524(11) 0.3776(4) 0.0215(10) Uani 1 1 d . . .
H44 H 0.0041 0.1221 0.3299 0.026 Uiso 1 1 calc R . .
C45 C 0.0625(5) 0.09626(11) 0.4902(4) 0.0205(10) Uani 1 1 d . . .
H45 H -0.0103 0.1066 0.5190 0.025 Uiso 1 1 calc R . .
C46 C 0.1611(5) 0.07201(10) 0.5620(4) 0.0161(9) Uani 1 1 d . . .
H46 H 0.1561 0.0660 0.6400 0.019 Uiso 1 1 calc R . .
C47 C 0.5728(5) 0.04610(11) 0.7130(3) 0.0121(8) Uani 1 1 d . . .
H47 H 0.6540 0.0285 0.7368 0.015 Uiso 1 1 calc R . .
C48 C 0.5485(5) 0.11713(9) 0.6874(4) 0.0136(9) Uani 1 1 d . . .
C49 C 0.4524(5) 0.13456(10) 0.5856(4) 0.0188(10) Uani 1 1 d . . .
H49 H 0.4475 0.1287 0.5047 0.023 Uiso 1 1 calc R . .
C50 C 0.3633(5) 0.16067(11) 0.6024(5) 0.0248(11) Uani 1 1 d . . .
H50 H 0.2964 0.1724 0.5326 0.030 Uiso 1 1 calc R . .
C51 C 0.3720(6) 0.16947(11) 0.7196(5) 0.0238(11) Uani 1 1 d . . .
H51 H 0.3107 0.1872 0.7306 0.029 Uiso 1 1 calc R . .
C52 C 0.4699(5) 0.15255(11) 0.8219(5) 0.0226(11) Uani 1 1 d . . .
H52 H 0.4766 0.1589 0.9028 0.027 Uiso 1 1 calc R . .
C53 C 0.5575(5) 0.12644(10) 0.8059(4) 0.0164(9) Uani 1 1 d . . .
H53 H 0.6242 0.1148 0.8760 0.020 Uiso 1 1 calc R . .
C54 C 0.8450(5) 0.08541(11) 0.7885(4) 0.0148(9) Uani 1 1 d . . .
C55 C 0.9481(5) 0.10819(11) 0.7680(4) 0.0211(10) Uani 1 1 d . . .
H55 H 0.9170 0.1206 0.6933 0.025 Uiso 1 1 calc R . .
C56 C 1.0940(6) 0.11276(12) 0.8550(5) 0.0245(11) Uani 1 1 d . . .
H56 H 1.1628 0.1282 0.8401 0.029 Uiso 1 1 calc R . .
C57 C 1.1392(6) 0.09476(12) 0.9633(5) 0.0219(11) Uani 1 1 d . . .
H57 H 1.2401 0.0976 1.0227 0.026 Uiso 1 1 calc R . .
C58 C 1.0397(5) 0.07277(11) 0.9861(4) 0.0226(10) Uani 1 1 d . . .
H58 H 1.0715 0.0609 1.0620 0.027 Uiso 1 1 calc R . .
C59 C 0.8924(5) 0.06771(10) 0.8992(4) 0.0180(9) Uani 1 1 d . . .
H59 H 0.8247 0.0522 0.9154 0.022 Uiso 1 1 calc R . .
C60 C 0.6932(6) 0.08381(11) 1.1469(5) 0.0266(12) Uani 1 1 d . . .
H60A H 0.7844 0.0875 1.1245 0.040 Uiso 1 1 calc R . .
H60B H 0.7107 0.0934 1.2286 0.040 Uiso 1 1 calc R . .
H60C H 0.6034 0.0944 1.0854 0.040 Uiso 1 1 calc R . .
C61 C 0.4768(6) 0.03249(13) 1.1858(4) 0.0305(12) Uani 1 1 d . . .
H61A H 0.3897 0.0423 1.1190 0.046 Uiso 1 1 calc R . .
H61B H 0.4883 0.0435 1.2641 0.046 Uiso 1 1 calc R . .
H61C H 0.4576 0.0088 1.1925 0.046 Uiso 1 1 calc R . .
C62 C 0.8196(6) 0.02169(12) 1.2885(4) 0.0292(12) Uani 1 1 d . . .
H62A H 0.8102 -0.0024 1.2931 0.044 Uiso 1 1 calc R . .
H62B H 0.8154 0.0319 1.3642 0.044 Uiso 1 1 calc R . .
H62C H 0.9183 0.0271 1.2798 0.044 Uiso 1 1 calc R . .
C63 C 0.9316(6) -0.02155(13) 1.0960(5) 0.0306(13) Uani 1 1 d . . .
H63A H 0.9842 -0.0025 1.0764 0.046 Uiso 1 1 calc R . .
H63B H 0.9732 -0.0421 1.0750 0.046 Uiso 1 1 calc R . .
H63C H 0.9482 -0.0214 1.1846 0.046 Uiso 1 1 calc R . .
C64 C 0.6247(6) -0.05250(11) 1.0644(4) 0.0273(12) Uani 1 1 d . . .
H64A H 0.6321 -0.0471 1.1490 0.041 Uiso 1 1 calc R . .
H64B H 0.6765 -0.0737 1.0645 0.041 Uiso 1 1 calc R . .
H64C H 0.5159 -0.0542 1.0112 0.041 Uiso 1 1 calc R . .
C65 C 0.7071(6) -0.03095(10) 0.8444(4) 0.0201(10) Uani 1 1 d . . .
H65A H 0.6010 -0.0279 0.7868 0.030 Uiso 1 1 calc R . .
H65B H 0.7370 -0.0542 0.8440 0.030 Uiso 1 1 calc R . .
H65C H 0.7767 -0.0169 0.8187 0.030 Uiso 1 1 calc R . .
C66 C 0.1856(6) -0.01192(11) 0.8775(4) 0.0229(11) Uani 1 1 d . . .
H66A H 0.2870 -0.0143 0.9430 0.034 Uiso 1 1 calc R . .
H66B H 0.1149 -0.0286 0.8887 0.034 Uiso 1 1 calc R . .
H66C H 0.1450 0.0103 0.8817 0.034 Uiso 1 1 calc R . .
C67 C 0.2722(6) -0.06077(11) 0.7084(4) 0.0243(11) Uani 1 1 d . . .
H67A H 0.2964 -0.0622 0.6327 0.036 Uiso 1 1 calc R . .
H67B H 0.1909 -0.0767 0.7041 0.036 Uiso 1 1 calc R . .
H67C H 0.3649 -0.0658 0.7801 0.036 Uiso 1 1 calc R . .
C68 C 0.0107(6) -0.01137(14) 0.6026(5) 0.0282(13) Uani 1 1 d . . .
H68A H -0.0258 0.0110 0.6102 0.042 Uiso 1 1 calc R . .
H68B H -0.0619 -0.0277 0.6132 0.042 Uiso 1 1 calc R . .
H68C H 0.0180 -0.0141 0.5207 0.042 Uiso 1 1 calc R . .
O1 O 0.6881(4) 0.19247(8) 0.3754(3) 0.0318(8) Uani 1 1 d D . .
C69 C 0.9418(6) 0.18425(13) 0.5164(5) 0.0387(13) Uani 1 1 d D . .
H69A H 0.9764 0.1813 0.4463 0.058 Uiso 1 1 calc R . .
H69B H 1.0066 0.1709 0.5865 0.058 Uiso 1 1 calc R . .
H69C H 0.9500 0.2077 0.5403 0.058 Uiso 1 1 calc R . .
C71 C 0.5281(6) 0.18515(11) 0.3277(5) 0.0310(11) Uani 1 1 d D . .
H71A H 0.4724 0.2041 0.2771 0.037 Uiso 1 1 calc R . .
H71B H 0.4912 0.1826 0.3977 0.037 Uiso 1 1 calc R . .
C70 C 0.7780(6) 0.17330(12) 0.4802(5) 0.0329(12) Uani 1 1 d D . .
H70A H 0.7690 0.1494 0.4589 0.039 Uiso 1 1 calc R . .
H70B H 0.7408 0.1768 0.5496 0.039 Uiso 1 1 calc R . .
N1 N 0.1820(4) 0.32011(8) 0.2685(3) 0.0119(8) Uani 1 1 d . . .
N2 N -0.1153(4) 0.33080(8) -0.0236(3) 0.0136(8) Uani 1 1 d . . .
N3 N 0.6407(4) 0.01937(8) 1.0110(3) 0.0133(8) Uani 1 1 d . . .
N4 N 0.3414(4) 0.01046(8) 0.7181(3) 0.0115(8) Uani 1 1 d . . .
P1 P -0.06012(13) 0.31519(3) -0.12828(10) 0.0103(2) Uani 1 1 d . . .
P2 P 0.18891(13) 0.25834(3) -0.07771(10) 0.0121(2) Uani 1 1 d . . .
P3 P 0.40059(13) 0.02665(3) 0.61548(10) 0.0110(2) Uani 1 1 d . . .
P4 P 0.65649(13) 0.08111(3) 0.66716(10) 0.0113(2) Uani 1 1 d . . .
S1 S 0.19219(13) 0.25678(3) -0.24598(10) 0.0180(2) Uani 1 1 d . . .
S2 S 0.67292(13) 0.07918(3) 0.50291(10) 0.0178(2) Uani 1 1 d . . .
Si1 Si 0.19216(14) 0.30238(3) 0.40837(11) 0.0152(3) Uani 1 1 d . . .
Si2 Si 0.26495(15) 0.35853(3) 0.26391(12) 0.0152(3) Uani 1 1 d . . .
Si3 Si -0.25141(14) 0.35964(3) -0.01706(12) 0.0144(3) Uani 1 1 d . . .
Si4 Si 0.65715(14) 0.03796(3) 1.15123(11) 0.0157(3) Uani 1 1 d . . .
Si5 Si 0.71975(15) -0.01896(3) 1.00440(12) 0.0154(3) Uani 1 1 d . . .
Si6 Si 0.20453(14) -0.01785(3) 0.72410(12) 0.0148(3) Uani 1 1 d . . .
Sn1 Sn 0.00619(3) 0.293646(6) 0.12688(2) 0.01203(7) Uani 1 1 d . . .
Sn2 Sn 0.46452(3) 0.046951(5) 0.87155(2) 0.01194(7) Uani 1 1 d . . .
C72 C 0.4890(7) 0.15447(13) 0.2504(5) 0.0423(14) Uani 1 1 d D . .
H72A H 0.5257 0.1567 0.1811 0.063 Uiso 1 1 calc R . .
H72B H 0.3769 0.1513 0.2183 0.063 Uiso 1 1 calc R . .
H72C H 0.5387 0.1353 0.3010 0.063 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 C1 C6 119.3(4) . . ?
C2 C1 P1 120.8(3) . . ?
C6 C1 P1 119.8(3) . . ?
C3 C2 C1 120.3(4) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 120.1(4) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 119.8(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.6(4) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C1 119.9(4) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C12 C7 C8 118.8(4) . . ?
C12 C7 P1 122.1(3) . . ?
C8 C7 P1 119.0(3) . . ?
C9 C8 C7 120.8(4) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 120.3(4) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 119.3(4) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 120.7(4) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 119.9(4) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
P1 C13 P2 125.3(2) . . ?
P1 C13 Sn1 88.55(15) . . ?
P2 C13 Sn1 121.6(2) . . ?
P1 C13 H13 106.4 . . ?
P2 C13 H13 106.4 . . ?
Sn1 C13 H13 106.4 . . ?
C19 C14 C15 119.8(4) . . ?
C19 C14 P2 120.5(3) . . ?
C15 C14 P2 119.7(3) . . ?
C16 C15 C14 119.4(4) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C17 C16 C15 120.9(5) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 119.9(4) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C19 120.6(5) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C14 C19 C18 119.4(4) . . ?
C14 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C25 C20 C21 118.7(4) . . ?
C25 C20 P2 117.7(3) . . ?
C21 C20 P2 123.6(3) . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 120.1(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.1(5) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.0(4) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C20 C25 C24 120.7(4) . . ?
C20 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si3 C32 H32A 109.5 . . ?
Si3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si3 C33 H33A 109.5 . . ?
Si3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C40 119.1(4) . . ?
C36 C35 P3 122.1(3) . . ?
C40 C35 P3 118.7(3) . . ?
C35 C36 C37 120.7(4) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C38 C37 C36 119.9(4) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C37 C38 C39 120.6(4) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C38 C39 C40 119.7(4) . . ?
C38 C39 H39 120.2 . . ?
C40 C39 H39 120.2 . . ?
C39 C40 C35 120.0(4) . . ?
C39 C40 H40 120.0 . . ?
C35 C40 H40 120.0 . . ?
C46 C41 C42 119.6(4) . . ?
C46 C41 P3 119.9(3) . . ?
C42 C41 P3 120.4(3) . . ?
C43 C42 C41 119.7(4) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C44 C43 C42 120.2(4) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C43 120.4(4) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 120.2(4) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 119.8(4) . . ?
C41 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
P3 C47 P4 123.4(2) . . ?
P3 C47 Sn2 87.96(15) . . ?
P4 C47 Sn2 124.4(2) . . ?
P3 C47 H47 106.3 . . ?
P4 C47 H47 106.3 . . ?
Sn2 C47 H47 106.3 . . ?
C49 C48 C53 119.5(4) . . ?
C49 C48 P4 120.6(3) . . ?
C53 C48 P4 119.8(3) . . ?
C48 C49 C50 119.9(4) . . ?
C48 C49 H49 120.1 . . ?
C50 C49 H49 120.1 . . ?
C51 C50 C49 120.1(4) . . ?
C51 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C50 C51 C52 120.3(4) . . ?
C50 C51 H51 119.9 . . ?
C52 C51 H51 119.9 . . ?
C53 C52 C51 119.9(4) . . ?
C53 C52 H52 120.1 . . ?
C51 C52 H52 120.1 . . ?
C52 C53 C48 120.3(4) . . ?
C52 C53 H53 119.9 . . ?
C48 C53 H53 119.9 . . ?
C59 C54 C55 118.5(4) . . ?
C59 C54 P4 124.2(3) . . ?
C55 C54 P4 117.2(3) . . ?
C56 C55 C54 120.9(4) . . ?
C56 C55 H55 119.5 . . ?
C54 C55 H55 119.5 . . ?
C57 C56 C55 119.6(4) . . ?
C57 C56 H56 120.2 . . ?
C55 C56 H56 120.2 . . ?
C58 C57 C56 120.5(5) . . ?
C58 C57 H57 119.7 . . ?
C56 C57 H57 119.7 . . ?
C57 C58 C59 120.7(5) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C58 C59 C54 119.7(4) . . ?
C58 C59 H59 120.1 . . ?
C54 C59 H59 120.1 . . ?
Si4 C60 H60A 109.5 . . ?
Si4 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
Si4 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Si4 C61 H61A 109.5 . . ?
Si4 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
Si4 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si4 C62 H62A 109.5 . . ?
Si4 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
Si4 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Si5 C63 H63A 109.5 . . ?
Si5 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
Si5 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Si5 C64 H64A 109.5 . . ?
Si5 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
Si5 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
Si5 C65 H65A 109.5 . . ?
Si5 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
Si5 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
Si6 C66 H66A 109.5 . . ?
Si6 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
Si6 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
Si6 C67 H67A 109.5 . . ?
Si6 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
Si6 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
Si6 C68 H68A 109.5 . . ?
Si6 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
Si6 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C71 O1 C70 115.5(3) . . ?
C70 C69 H69A 109.5 . . ?
C70 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C70 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O1 C71 C72 113.7(4) . . ?
O1 C71 H71A 108.8 . . ?
C72 C71 H71A 108.8 . . ?
O1 C71 H71B 108.8 . . ?
C72 C71 H71B 108.8 . . ?
H71A C71 H71B 107.7 . . ?
O1 C70 C69 107.9(4) . . ?
O1 C70 H70A 110.1 . . ?
C69 C70 H70A 110.1 . . ?
O1 C70 H70B 110.1 . . ?
C69 C70 H70B 110.1 . . ?
H70A C70 H70B 108.4 . . ?
Si2 N1 Si1 121.1(2) . . ?
Si2 N1 Sn1 130.25(19) . . ?
Si1 N1 Sn1 106.30(17) . . ?
P1 N2 Si3 136.8(2) . . ?
P1 N2 Sn1 96.59(16) . . ?
Si3 N2 Sn1 125.35(18) . . ?
Si5 N3 Si4 121.9(2) . . ?
Si5 N3 Sn2 130.7(2) . . ?
Si4 N3 Sn2 105.44(17) . . ?
P3 N4 Si6 138.2(2) . . ?
P3 N4 Sn2 95.99(16) . . ?
Si6 N4 Sn2 124.62(18) . . ?
N2 P1 C13 99.98(18) . . ?
N2 P1 C7 114.53(18) . . ?
C13 P1 C7 114.4(2) . . ?
N2 P1 C1 112.16(19) . . ?
C13 P1 C1 111.34(19) . . ?
C7 P1 C1 104.73(18) . . ?
N2 P1 Sn1 50.44(13) . . ?
C13 P1 Sn1 54.44(12) . . ?
C7 P1 Sn1 148.55(14) . . ?
C1 P1 Sn1 106.68(13) . . ?
C13 P2 C20 104.28(19) . . ?
C13 P2 C14 105.93(18) . . ?
C20 P2 C14 104.4(2) . . ?
C13 P2 S1 117.20(14) . . ?
C20 P2 S1 111.50(14) . . ?
C14 P2 S1 112.44(14) . . ?
N4 P3 C47 100.18(18) . . ?
N4 P3 C41 112.54(19) . . ?
C47 P3 C41 111.16(19) . . ?
N4 P3 C35 113.64(18) . . ?
C47 P3 C35 114.65(19) . . ?
C41 P3 C35 104.94(19) . . ?
N4 P3 Sn2 50.74(12) . . ?
C47 P3 Sn2 54.63(12) . . ?
C41 P3 Sn2 106.36(13) . . ?
C35 P3 Sn2 148.62(14) . . ?
C47 P4 C54 104.32(19) . . ?
C47 P4 C48 105.98(19) . . ?
C54 P4 C48 104.24(19) . . ?
C47 P4 S2 116.70(14) . . ?
C54 P4 S2 111.46(15) . . ?
C48 P4 S2 113.05(14) . . ?
N1 Si1 C27 114.85(19) . . ?
N1 Si1 C28 111.9(2) . . ?
C27 Si1 C28 106.2(2) . . ?
N1 Si1 C26 110.15(18) . . ?
C27 Si1 C26 106.1(2) . . ?
C28 Si1 C26 107.2(2) . . ?
N1 Si2 C29 112.62(18) . . ?
N1 Si2 C31 111.27(19) . . ?
C29 Si2 C31 108.1(2) . . ?
N1 Si2 C30 114.5(2) . . ?
C29 Si2 C30 103.2(2) . . ?
C31 Si2 C30 106.6(2) . . ?
N2 Si3 C32 106.1(2) . . ?
N2 Si3 C34 113.8(2) . . ?
C32 Si3 C34 107.5(2) . . ?
N2 Si3 C33 109.7(2) . . ?
C32 Si3 C33 111.3(2) . . ?
C34 Si3 C33 108.5(2) . . ?
N3 Si4 C61 111.1(2) . . ?
N3 Si4 C62 114.49(19) . . ?
C61 Si4 C62 106.8(2) . . ?
N3 Si4 C60 110.8(2) . . ?
C61 Si4 C60 107.6(2) . . ?
C62 Si4 C60 105.6(2) . . ?
N3 Si5 C63 113.7(2) . . ?
N3 Si5 C65 113.34(18) . . ?
C63 Si5 C65 103.2(2) . . ?
N3 Si5 C64 111.5(2) . . ?
C63 Si5 C64 106.7(2) . . ?
C65 Si5 C64 107.9(2) . . ?
N4 Si6 C66 105.90(19) . . ?
N4 Si6 C68 113.7(2) . . ?
C66 Si6 C68 107.9(2) . . ?
N4 Si6 C67 109.3(2) . . ?
C66 Si6 C67 111.1(2) . . ?
C68 Si6 C67 108.9(2) . . ?
N1 Sn1 N2 107.02(13) . . ?
N1 Sn1 C13 100.51(13) . . ?
N2 Sn1 C13 67.29(13) . . ?
N1 Sn1 P1 116.94(9) . . ?
N2 Sn1 P1 32.97(9) . . ?
C13 Sn1 P1 37.01(10) . . ?
N3 Sn2 N4 106.64(13) . . ?
N3 Sn2 C47 98.80(13) . . ?
N4 Sn2 C47 67.83(13) . . ?
N3 Sn2 P3 116.12(9) . . ?
N4 Sn2 P3 33.28(9) . . ?
C47 Sn2 P3 37.41(10) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.395(6) . ?
C1 C6 1.401(6) . ?
C1 P1 1.812(4) . ?
C2 C3 1.381(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.374(6) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.385(6) . ?
C7 C8 1.408(6) . ?
C7 P1 1.807(4) . ?
C8 C9 1.367(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.397(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 P1 1.760(4) . ?
C13 P2 1.794(4) . ?
C13 Sn1 2.379(4) . ?
C13 H13 1.0000 . ?
C14 C19 1.391(6) . ?
C14 C15 1.397(6) . ?
C14 P2 1.827(4) . ?
C15 C16 1.397(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.365(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.399(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.387(6) . ?
C20 C21 1.402(6) . ?
C20 P2 1.819(5) . ?
C21 C22 1.389(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(6) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 Si1 1.884(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 Si1 1.869(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 Si1 1.870(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 Si2 1.866(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 Si2 1.880(5) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 Si2 1.872(4) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 Si3 1.858(5) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 Si3 1.864(5) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 Si3 1.862(5) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.386(6) . ?
C35 C40 1.402(6) . ?
C35 P3 1.812(4) . ?
C36 C37 1.387(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.375(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.385(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.392(6) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.386(6) . ?
C41 C42 1.405(5) . ?
C41 P3 1.807(4) . ?
C42 C43 1.386(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.379(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.378(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.393(6) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 P3 1.776(4) . ?
C47 P4 1.780(4) . ?
C47 Sn2 2.384(4) . ?
C47 H47 1.0000 . ?
C48 C49 1.388(6) . ?
C48 C53 1.394(5) . ?
C48 P4 1.826(4) . ?
C49 C50 1.394(6) . ?
C49 H49 0.9500 . ?
C50 C51 1.376(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.387(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.382(6) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C59 1.393(6) . ?
C54 C55 1.406(6) . ?
C54 P4 1.819(5) . ?
C55 C56 1.381(7) . ?
C55 H55 0.9500 . ?
C56 C57 1.378(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.371(7) . ?
C57 H57 0.9500 . ?
C58 C59 1.393(6) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 Si4 1.883(5) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 Si4 1.867(5) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 Si4 1.875(5) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 Si5 1.874(5) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 Si5 1.877(5) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 Si5 1.875(4) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 Si6 1.859(4) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 Si6 1.872(5) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 Si6 1.864(5) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
O1 C71 1.418(5) . ?
O1 C70 1.428(5) . ?
C69 C70 1.492(7) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C71 C72 1.494(6) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
N1 Si2 1.739(4) . ?
N1 Si1 1.740(4) . ?
N1 Sn1 2.139(3) . ?
N2 P1 1.601(3) . ?
N2 Si3 1.738(4) . ?
N2 Sn1 2.269(4) . ?
N3 Si5 1.724(4) . ?
N3 Si4 1.743(4) . ?
N3 Sn2 2.152(4) . ?
N4 P3 1.612(3) . ?
N4 Si6 1.727(4) . ?
N4 Sn2 2.275(3) . ?
P1 Sn1 2.9233(11) . ?
P2 S1 1.9578(15) . ?
P3 Sn2 2.9221(11) . ?
P4 S2 1.9603(15) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
