#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:22:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178561 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/69/4066905.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_4066905
loop_
_publ_author_name
'Semenov, Sergey N.'
'Blacque, Olivier'
'Fox, Thomas'
'Venkatesan, Koushik'
'Berke, Heinz'
_publ_section_title
;
 [W(CO)(dppe)2] Cumulenylidene and Acetylide Complexes Accessed via
 Stannylated Acetylenes and Butadiynes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6321
_journal_paper_doi               10.1021/om100702x
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         '4(C63 H66 O P4 Si Sn W), 2.5(C6 H14), C6 H6'
_chemical_formula_sum            'C273 H305 O4 P16 Si4 Sn4 W4'
_chemical_formula_weight         5468.26
_chemical_name_systematic
;
[cis-(4-trimethylsilyl-4-trimethylstannylbutatrienylidene)
bis{1,2-bis(diphenylphosphino)ethane}carbonyltungsten]
;
_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                88.543(1)
_cell_angle_beta                 89.504(1)
_cell_angle_gamma                85.639(1)
_cell_formula_units_Z            1
_cell_length_a                   12.3443(2)
_cell_length_b                   16.1288(3)
_cell_length_c                   34.9284(7)
_cell_measurement_reflns_used    21862
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      29.33
_cell_measurement_theta_min      2.29
_cell_volume                     6931.7(2)
_computing_cell_refinement
' CrysAlisPro Software, Oxford Diffraction Ltd., Version 1.171.32.15'
_computing_data_collection
' CrysAlisPro Software, Oxford Diffraction Ltd., Version 1.171.32.15'
_computing_data_reduction
' CrysAlisPro Software, Oxford Diffraction Ltd., Version 1.171.32.15'
_computing_molecular_graphics
; ORTEP-3 for Windows, Version 1.08.
  Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
;
_computing_publication_material
; WinGX - An integrated system of Windows programs for the solution,
 refinment and analysis of single crystal X-ray diffraction data,
 Version 1.70.01.
 Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
 SHELXL97. Program for crystal structure refinement.
 Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
 PLATON for Windows, Version 1.12.
 Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13. 
;
_computing_structure_refinement
; SHELXL97. Program for crystal structure refinement.
  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_computing_structure_solution
; SHELXS97. Program for Crystal Structure solution.
  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.  
;
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
; Oxford Diffraction (2007). Oxford Diffraction Ltd., 
Xcalibur CCD system
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_sigmaI/netI    0.1102
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            73666
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  140
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.165
_exptl_absorpt_correction_T_max  0.826
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
R.C. Clark and J.S. Reid, Acta Cryst. 1995, A51, 887-897
implemented in the CrysAlis Software system, Oxford Diffraction Ltd.,
Version 1.171.32.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2729
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.772
_refine_diff_density_min         -1.635
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1319
_refine_ls_number_reflns         28286
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      16.466
_refine_ls_R_factor_all          0.0972
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0786P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1573
_reflns_number_gt                16608
_reflns_number_total             28286
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100702x_si_002.cif
_cod_data_source_block           3
_cod_database_code               4066905
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
C1 C 0.807(10) 0.340(7) 0.295(3) 0.04(3) Uani 1 1 d . . .
H1A H 0.8513 0.3495 0.2727 0.049 Uiso 1 1 calc R . .
H1B H 0.7716 0.2890 0.2915 0.049 Uiso 1 1 calc R . .
C2 C 0.721(9) 0.411(7) 0.299(4) 0.04(3) Uani 1 1 d . . .
H2A H 0.6667 0.3969 0.3175 0.045 Uiso 1 1 calc R . .
H2B H 0.6860 0.4228 0.2745 0.045 Uiso 1 1 calc R . .
C3 C 1.006(10) 0.256(7) 0.315(4) 0.04(3) Uani 1 1 d . . .
C4 C 1.079(11) 0.292(8) 0.290(4) 0.05(4) Uani 1 1 d . . .
H4 H 1.0747 0.3493 0.2870 0.064 Uiso 1 1 calc R . .
C5 C 1.159(12) 0.243(9) 0.270(4) 0.06(4) Uani 1 1 d . . .
H5 H 1.2047 0.2679 0.2530 0.075 Uiso 1 1 calc R . .
C6 C 1.170(13) 0.159(10) 0.277(5) 0.08(5) Uani 1 1 d . . .
H6 H 1.2241 0.1265 0.2642 0.093 Uiso 1 1 calc R . .
C7 C 1.098(16) 0.123(9) 0.302(6) 0.09(7) Uani 1 1 d . . .
H7 H 1.1044 0.0657 0.3061 0.114 Uiso 1 1 calc R . .
C8 C 1.016(13) 0.172(9) 0.320(5) 0.08(6) Uani 1 1 d . . .
H8 H 0.9679 0.1464 0.3363 0.095 Uiso 1 1 calc R . .
C9 C 0.831(10) 0.248(7) 0.368(4) 0.04(3) Uani 1 1 d . . .
C10 C 0.889(12) 0.215(7) 0.399(4) 0.05(3) Uani 1 1 d . . .
H10 H 0.9588 0.2313 0.4036 0.056 Uiso 1 1 calc R . .
C11 C 0.845(13) 0.159(8) 0.424(4) 0.06(4) Uani 1 1 d . . .
H11 H 0.8844 0.1374 0.4453 0.067 Uiso 1 1 calc R . .
C12 C 0.743(15) 0.136(9) 0.418(5) 0.07(5) Uani 1 1 d . . .
H12 H 0.7141 0.0970 0.4347 0.081 Uiso 1 1 calc R . .
C13 C 0.682(13) 0.168(9) 0.388(5) 0.06(4) Uani 1 1 d . . .
H13 H 0.6119 0.1533 0.3843 0.075 Uiso 1 1 calc R . .
C14 C 0.728(11) 0.225(8) 0.362(4) 0.05(4) Uani 1 1 d . . .
H14 H 0.6882 0.2464 0.3415 0.060 Uiso 1 1 calc R . .
C15 C 0.833(9) 0.552(8) 0.270(3) 0.04(3) Uani 1 1 d . . .
C16 C 0.824(9) 0.518(8) 0.234(4) 0.04(3) Uani 1 1 d . . .
H16 H 0.7918 0.4682 0.2316 0.051 Uiso 1 1 calc R . .
C17 C 0.862(11) 0.557(9) 0.201(4) 0.05(3) Uani 1 1 d . . .
H17 H 0.8552 0.5328 0.1772 0.060 Uiso 1 1 calc R . .
C18 C 0.909(10) 0.630(9) 0.204(4) 0.05(3) Uani 1 1 d . . .
H18 H 0.9342 0.6565 0.1816 0.057 Uiso 1 1 calc R . .
C19 C 0.920(10) 0.666(8) 0.239(4) 0.05(3) Uani 1 1 d . . .
H19 H 0.9518 0.7159 0.2409 0.058 Uiso 1 1 calc R . .
C20 C 0.883(10) 0.626(8) 0.272(4) 0.05(3) Uani 1 1 d . . .
H20 H 0.8914 0.6497 0.2956 0.054 Uiso 1 1 calc R . .
C21 C 0.669(9) 0.578(7) 0.324(3) 0.03(3) Uani 1 1 d . . .
C22 C 0.671(10) 0.629(7) 0.355(4) 0.04(3) Uani 1 1 d . . .
H22 H 0.7300 0.6230 0.3714 0.049 Uiso 1 1 calc R . .
C23 C 0.586(11) 0.689(8) 0.362(4) 0.05(3) Uani 1 1 d . . .
H23 H 0.5885 0.7235 0.3830 0.059 Uiso 1 1 calc R . .
C24 C 0.499(11) 0.697(9) 0.338(4) 0.06(4) Uani 1 1 d . . .
H24 H 0.4426 0.7380 0.3425 0.070 Uiso 1 1 calc R . .
C25 C 0.495(12) 0.645(11) 0.308(5) 0.08(6) Uani 1 1 d . . .
H25 H 0.4347 0.6486 0.2922 0.098 Uiso 1 1 calc R . .
C26 C 0.580(11) 0.586(10) 0.300(4) 0.06(4) Uani 1 1 d . . .
H26 H 0.5763 0.5514 0.2796 0.074 Uiso 1 1 calc R . .
C27 C 0.898(9) 0.403(7) 0.458(3) 0.03(3) Uani 1 1 d . . .
H27A H 0.8644 0.4131 0.4829 0.040 Uiso 1 1 calc R . .
H27B H 0.9024 0.3430 0.4543 0.040 Uiso 1 1 calc R . .
C28 C 1.012(9) 0.433(7) 0.457(3) 0.03(3) Uani 1 1 d . . .
H28A H 1.0585 0.3987 0.4746 0.041 Uiso 1 1 calc R . .
H28B H 1.0091 0.4898 0.4662 0.041 Uiso 1 1 calc R . .
C29 C 0.689(9) 0.398(7) 0.423(3) 0.03(3) Uani 1 1 d . . .
C30 C 0.672(10) 0.337(7) 0.451(4) 0.04(3) Uani 1 1 d . . .
H30 H 0.7260 0.3212 0.4687 0.049 Uiso 1 1 calc R . .
C31 C 0.574(11) 0.300(8) 0.453(4) 0.05(4) Uani 1 1 d . . .
H31 H 0.5644 0.2576 0.4715 0.058 Uiso 1 1 calc R . .
C32 C 0.491(10) 0.324(8) 0.429(4) 0.05(3) Uani 1 1 d . . .
H32 H 0.4249 0.2995 0.4306 0.057 Uiso 1 1 calc R . .
C33 C 0.506(10) 0.383(8) 0.401(4) 0.05(3) Uani 1 1 d . . .
H33 H 0.4505 0.3993 0.3844 0.056 Uiso 1 1 calc R . .
C34 C 0.605(10) 0.420(8) 0.398(3) 0.04(3) Uani 1 1 d . . .
H34 H 0.6141 0.4596 0.3791 0.046 Uiso 1 1 calc R . .
C35 C 0.760(9) 0.552(7) 0.444(3) 0.03(3) Uani 1 1 d . . .
C36 C 0.832(10) 0.614(7) 0.450(3) 0.04(3) Uani 1 1 d . . .
H36 H 0.9046 0.6047 0.4429 0.044 Uiso 1 1 calc R . .
C37 C 0.795(11) 0.688(7) 0.466(4) 0.04(3) Uani 1 1 d . . .
H37 H 0.8433 0.7289 0.4692 0.052 Uiso 1 1 calc R . .
C38 C 0.690(11) 0.702(8) 0.478(4) 0.05(4) Uani 1 1 d . . .
H38 H 0.6661 0.7525 0.4890 0.064 Uiso 1 1 calc R . .
C39 C 0.618(11) 0.640(8) 0.473(4) 0.05(3) Uani 1 1 d . . .
H39 H 0.5462 0.6490 0.4806 0.060 Uiso 1 1 calc R . .
C40 C 0.654(10) 0.566(8) 0.456(3) 0.04(3) Uani 1 1 d . . .
H40 H 0.6066 0.5248 0.4531 0.049 Uiso 1 1 calc R . .
C41 C 1.184(9) 0.496(7) 0.414(4) 0.04(3) Uani 1 1 d . . .
C42 C 1.201(11) 0.558(8) 0.387(4) 0.06(4) Uani 1 1 d . . .
H42 H 1.1555 0.5668 0.3660 0.066 Uiso 1 1 calc R . .
C43 C 1.289(12) 0.607(9) 0.392(5) 0.07(5) Uani 1 1 d . . .
H43 H 1.3026 0.6472 0.3733 0.085 Uiso 1 1 calc R . .
C44 C 1.354(11) 0.597(9) 0.423(4) 0.06(4) Uani 1 1 d . . .
H44 H 1.4111 0.6308 0.4260 0.070 Uiso 1 1 calc R . .
C45 C 1.337(10) 0.538(8) 0.449(4) 0.05(4) Uani 1 1 d . . .
H45 H 1.3805 0.5308 0.4709 0.061 Uiso 1 1 calc R . .
C46 C 1.253(10) 0.486(8) 0.445(4) 0.05(3) Uani 1 1 d . . .
H46 H 1.2425 0.4443 0.4629 0.055 Uiso 1 1 calc R . .
C47 C 1.148(9) 0.327(7) 0.407(3) 0.03(3) Uani 1 1 d . . .
C48 C 1.146(10) 0.266(7) 0.435(4) 0.04(3) Uani 1 1 d . . .
H48 H 1.1039 0.2763 0.4564 0.053 Uiso 1 1 calc R . .
C49 C 1.204(12) 0.190(7) 0.431(4) 0.05(4) Uani 1 1 d . . .
H49 H 1.2022 0.1497 0.4507 0.062 Uiso 1 1 calc R . .
C50 C 1.266(11) 0.175(8) 0.398(4) 0.05(4) Uani 1 1 d . . .
H50 H 1.3054 0.1237 0.3954 0.065 Uiso 1 1 calc R . .
C51 C 1.269(11) 0.237(8) 0.370(4) 0.05(4) Uani 1 1 d . . .
H51 H 1.3122 0.2275 0.3481 0.063 Uiso 1 1 calc R . .
C52 C 1.209(10) 0.311(7) 0.374(4) 0.04(3) Uani 1 1 d . . .
H52 H 1.2098 0.3513 0.3545 0.052 Uiso 1 1 calc R . .
C53 C 0.938(9) 0.585(7) 0.369(3) 0.03(3) Uani 1 1 d . . .
C54 C 0.944(10) 0.666(8) 0.372(3) 0.04(3) Uani 1 1 d . . .
C55 C 0.936(10) 0.743(8) 0.379(3) 0.04(3) Uani 1 1 d . . .
C56 C 0.925(12) 0.825(8) 0.386(4) 0.05(4) Uani 1 1 d . . .
C57 C 1.108(15) 0.765(10) 0.458(5) 0.09(6) Uani 1 1 d . . .
H57A H 1.0604 0.7227 0.4660 0.140 Uiso 1 1 calc R . .
H57B H 1.1437 0.7832 0.4807 0.140 Uiso 1 1 calc R . .
H57C H 1.1617 0.7418 0.4408 0.140 Uiso 1 1 calc R . .
C58 C 0.904(16) 0.921(10) 0.472(5) 0.09(6) Uani 1 1 d . . .
H58A H 0.8441 0.8867 0.4757 0.137 Uiso 1 1 calc R . .
H58B H 0.8770 0.9757 0.4635 0.137 Uiso 1 1 calc R . .
H58C H 0.9395 0.9253 0.4965 0.137 Uiso 1 1 calc R . .
C59 C 1.118(16) 0.960(11) 0.413(6) 0.10(7) Uani 1 1 d . . .
H59A H 1.1642 0.9734 0.4341 0.155 Uiso 1 1 calc R . .
H59B H 1.0749 1.0096 0.4053 0.155 Uiso 1 1 calc R . .
H59C H 1.1628 0.9405 0.3923 0.155 Uiso 1 1 calc R . .
C60 C 0.874(13) 0.993(8) 0.347(5) 0.07(5) Uani 1 1 d . . .
H60A H 0.8184 1.0307 0.3361 0.107 Uiso 1 1 calc R . .
H60B H 0.9330 0.9844 0.3293 0.107 Uiso 1 1 calc R . .
H60C H 0.9005 1.0168 0.3701 0.107 Uiso 1 1 calc R . .
C61 C 0.694(15) 0.908(10) 0.390(6) 0.09(6) Uani 1 1 d . . .
H61A H 0.7084 0.9452 0.4101 0.141 Uiso 1 1 calc R . .
H61B H 0.6752 0.8559 0.4011 0.141 Uiso 1 1 calc R . .
H61C H 0.6351 0.9318 0.3747 0.141 Uiso 1 1 calc R . .
C62 C 0.778(15) 0.839(9) 0.315(5) 0.09(6) Uani 1 1 d . . .
H62A H 0.7397 0.7907 0.3219 0.131 Uiso 1 1 calc R . .
H62B H 0.8422 0.8219 0.3009 0.131 Uiso 1 1 calc R . .
H62C H 0.7318 0.8769 0.3000 0.131 Uiso 1 1 calc R . .
C1A C 1.036(9) 0.486(7) 0.320(4) 0.03(3) Uani 1 1 d . . .
O1 O 1.099(7) 0.502(6) 0.297(3) 0.05(2) Uani 1 1 d . . .
Si1 Si 0.817(3) 0.8904(19) 0.3598(10) 0.040(9) Uani 1 1 d . . .
P1 P 0.897(3) 0.3234(19) 0.3367(9) 0.035(7) Uani 1 1 d . . .
P2 P 0.785(2) 0.5038(19) 0.3142(9) 0.032(7) Uani 1 1 d . . .
P3 P 0.812(2) 0.4549(18) 0.4204(9) 0.030(7) Uani 1 1 d . . .
P4 P 1.071(2) 0.4299(18) 0.4086(9) 0.031(7) Uani 1 1 d . . .
Sn1 Sn 1.0160(10) 0.8675(6) 0.4316(3) 0.063(3) Uani 1 1 d . . .
W1 W 0.9293(4) 0.4687(3) 0.36114(13) 0.0280(14) Uani 1 1 d . . .
C63 C 0.503(9) 0.556(8) 0.045(3) 0.04(3) Uani 1 1 d . . .
H63A H 0.5434 0.5895 0.0281 0.048 Uiso 1 1 calc R . .
H63B H 0.5096 0.4990 0.0365 0.048 Uiso 1 1 calc R . .
C64 C 0.384(9) 0.587(8) 0.045(3) 0.04(3) Uani 1 1 d . . .
H64A H 0.3537 0.5790 0.0197 0.047 Uiso 1 1 calc R . .
H64B H 0.3772 0.6466 0.0495 0.047 Uiso 1 1 calc R . .
C65 C 0.687(9) 0.493(7) 0.088(4) 0.04(3) Uani 1 1 d . . .
C66 C 0.754(10) 0.503(8) 0.055(4) 0.05(3) Uani 1 1 d . . .
H66 H 0.7333 0.5438 0.0369 0.057 Uiso 1 1 calc R . .
C67 C 0.848(11) 0.454(9) 0.050(4) 0.05(4) Uani 1 1 d . . .
H67 H 0.8898 0.4600 0.0283 0.065 Uiso 1 1 calc R . .
C68 C 0.882(11) 0.396(9) 0.078(5) 0.06(4) Uani 1 1 d . . .
H68 H 0.9473 0.3630 0.0744 0.073 Uiso 1 1 calc R . .
C69 C 0.819(12) 0.386(9) 0.110(5) 0.07(5) Uani 1 1 d . . .
H69 H 0.8408 0.3461 0.1285 0.081 Uiso 1 1 calc R . .
C70 C 0.721(11) 0.435(9) 0.115(4) 0.06(4) Uani 1 1 d . . .
H70 H 0.6786 0.4275 0.1366 0.066 Uiso 1 1 calc R . .
C71 C 0.615(10) 0.660(8) 0.095(4) 0.04(3) Uani 1 1 d . . .
C72 C 0.679(11) 0.677(8) 0.126(4) 0.06(4) Uani 1 1 d . . .
H72 H 0.6922 0.6357 0.1451 0.066 Uiso 1 1 calc R . .
C73 C 0.722(13) 0.751(10) 0.129(5) 0.07(5) Uani 1 1 d . . .
H73 H 0.7628 0.7600 0.1508 0.083 Uiso 1 1 calc R . .
C74 C 0.707(13) 0.811(10) 0.103(6) 0.07(5) Uani 1 1 d . . .
H74 H 0.7378 0.8614 0.1062 0.086 Uiso 1 1 calc R . .
C75 C 0.641(15) 0.797(9) 0.070(6) 0.08(5) Uani 1 1 d . . .
H75 H 0.6299 0.8389 0.0514 0.095 Uiso 1 1 calc R . .
C76 C 0.595(12) 0.722(8) 0.067(4) 0.06(4) Uani 1 1 d . . .
H76 H 0.5518 0.7128 0.0461 0.072 Uiso 1 1 calc R . .
C77 C 0.274(10) 0.438(8) 0.056(3) 0.04(3) Uani 1 1 d . . .
C78 C 0.358(11) 0.375(8) 0.050(4) 0.05(3) Uani 1 1 d . . .
H78 H 0.4276 0.3819 0.0584 0.057 Uiso 1 1 calc R . .
C79 C 0.337(13) 0.302(8) 0.031(4) 0.05(4) Uani 1 1 d . . .
H79 H 0.3924 0.2613 0.0268 0.065 Uiso 1 1 calc R . .
C80 C 0.235(14) 0.292(9) 0.018(4) 0.06(4) Uani 1 1 d . . .
H80 H 0.2211 0.2442 0.0059 0.074 Uiso 1 1 calc R . .
C81 C 0.152(13) 0.354(10) 0.024(4) 0.07(4) Uani 1 1 d . . .
H81 H 0.0831 0.3476 0.0148 0.078 Uiso 1 1 calc R . .
C82 C 0.172(11) 0.425(8) 0.043(4) 0.05(3) Uani 1 1 d . . .
H82 H 0.1149 0.4645 0.0476 0.056 Uiso 1 1 calc R . .
C83 C 0.171(10) 0.589(7) 0.080(4) 0.04(3) Uani 1 1 d . . .
C84 C 0.146(11) 0.652(8) 0.054(4) 0.05(4) Uani 1 1 d . . .
H84 H 0.1995 0.6700 0.0376 0.061 Uiso 1 1 calc R . .
C85 C 0.041(11) 0.690(9) 0.052(4) 0.06(4) Uani 1 1 d . . .
H85 H 0.0246 0.7337 0.0346 0.069 Uiso 1 1 calc R . .
C86 C -0.038(11) 0.662(9) 0.075(4) 0.06(4) Uani 1 1 d . . .
H86 H -0.1085 0.6872 0.0730 0.072 Uiso 1 1 calc R . .
C87 C -0.016(11) 0.598(9) 0.102(4) 0.05(4) Uani 1 1 d . . .
H87 H -0.0706 0.5783 0.1172 0.062 Uiso 1 1 calc R . .
C88 C 0.091(10) 0.563(8) 0.104(3) 0.04(3) Uani 1 1 d . . .
H88 H 0.1078 0.5212 0.1227 0.051 Uiso 1 1 calc R . .
C89 C 0.203(10) 0.564(8) 0.204(4) 0.05(3) Uani 1 1 d . . .
H89A H 0.1455 0.5797 0.1861 0.055 Uiso 1 1 calc R . .
H89B H 0.1691 0.5501 0.2286 0.055 Uiso 1 1 calc R . .
C90 C 0.273(11) 0.636(8) 0.209(4) 0.05(3) Uani 1 1 d . . .
H90A H 0.3185 0.6247 0.2315 0.056 Uiso 1 1 calc R . .
H90B H 0.2257 0.6858 0.2143 0.056 Uiso 1 1 calc R . .
C91 C 0.451(11) 0.726(8) 0.191(4) 0.04(3) Uani 1 1 d . . .
C92 C 0.545(12) 0.694(10) 0.207(5) 0.07(4) Uani 1 1 d . . .
H92 H 0.5657 0.6377 0.2052 0.080 Uiso 1 1 calc R . .
C93 C 0.610(13) 0.744(11) 0.228(5) 0.08(5) Uani 1 1 d . . .
H93 H 0.6724 0.7200 0.2396 0.096 Uiso 1 1 calc R . .
C94 C 0.583(15) 0.825(11) 0.230(5) 0.08(5) Uani 1 1 d . . .
H94 H 0.6286 0.8586 0.2425 0.092 Uiso 1 1 calc R . .
C95 C 0.490(18) 0.860(12) 0.214(6) 0.11(8) Uani 1 1 d . . .
H95 H 0.4693 0.9161 0.2166 0.137 Uiso 1 1 calc R . .
C96 C 0.425(15) 0.810(10) 0.194(5) 0.08(6) Uani 1 1 d . . .
H96 H 0.3630 0.8338 0.1819 0.101 Uiso 1 1 calc R . .
C97 C 0.278(11) 0.733(8) 0.138(4) 0.04(3) Uani 1 1 d . . .
C98 C 0.332(13) 0.773(8) 0.108(4) 0.06(4) Uani 1 1 d . . .
H98 H 0.4058 0.7591 0.1037 0.067 Uiso 1 1 calc R . .
C99 C 0.278(18) 0.833(11) 0.086(5) 0.08(5) Uani 1 1 d . . .
H99 H 0.3154 0.8597 0.0664 0.097 Uiso 1 1 calc R . .
C100 C 0.17(2) 0.855(11) 0.092(6) 0.10(7) Uani 1 1 d . . .
H100 H 0.1328 0.8955 0.0766 0.116 Uiso 1 1 calc R . .
C101 C 0.115(15) 0.816(10) 0.120(6) 0.08(6) Uani 1 1 d . . .
H101 H 0.0414 0.8309 0.1240 0.097 Uiso 1 1 calc R . .
C102 C 0.168(12) 0.755(9) 0.143(5) 0.06(4) Uani 1 1 d . . .
H102 H 0.1296 0.7284 0.1624 0.078 Uiso 1 1 calc R . .
C103 C 0.185(9) 0.401(8) 0.176(3) 0.04(3) Uani 1 1 d . . .
C104 C 0.203(11) 0.347(9) 0.146(4) 0.05(4) Uani 1 1 d . . .
H104 H 0.2650 0.3506 0.1308 0.064 Uiso 1 1 calc R . .
C105 C 0.132(11) 0.289(9) 0.138(4) 0.06(4) Uani 1 1 d . . .
H105 H 0.1442 0.2544 0.1166 0.070 Uiso 1 1 calc R . .
C106 C 0.040(12) 0.281(9) 0.161(5) 0.06(4) Uani 1 1 d . . .
H106 H -0.0078 0.2413 0.1560 0.074 Uiso 1 1 calc R . .
C107 C 0.022(12) 0.334(11) 0.191(5) 0.08(5) Uani 1 1 d . . .
H107 H -0.0381 0.3293 0.2069 0.090 Uiso 1 1 calc R . .
C108 C 0.092(11) 0.394(10) 0.198(4) 0.06(4) Uani 1 1 d . . .
H108 H 0.0770 0.4307 0.2179 0.068 Uiso 1 1 calc R . .
C109 C 0.343(9) 0.421(8) 0.231(4) 0.04(3) Uani 1 1 d . . .
C110 C 0.402(11) 0.345(9) 0.227(4) 0.05(4) Uani 1 1 d . . .
H110 H 0.4106 0.3215 0.2034 0.061 Uiso 1 1 calc R . .
C111 C 0.448(12) 0.305(10) 0.259(5) 0.07(4) Uani 1 1 d . . .
H111 H 0.4856 0.2526 0.2564 0.079 Uiso 1 1 calc R . .
C112 C 0.439(12) 0.341(11) 0.295(5) 0.07(5) Uani 1 1 d . . .
H112 H 0.4722 0.3146 0.3159 0.080 Uiso 1 1 calc R . .
C113 C 0.382(13) 0.416(11) 0.298(4) 0.06(4) Uani 1 1 d . . .
H113 H 0.3754 0.4404 0.3218 0.077 Uiso 1 1 calc R . .
C114 C 0.333(10) 0.457(9) 0.267(4) 0.05(4) Uani 1 1 d . . .
H114 H 0.2941 0.5079 0.2697 0.063 Uiso 1 1 calc R . .
C115 C 0.460(10) 0.400(8) 0.131(3) 0.04(3) Uani 1 1 d . . .
C116 C 0.488(11) 0.320(9) 0.127(4) 0.05(3) Uani 1 1 d . . .
C117 C 0.502(12) 0.245(9) 0.116(4) 0.06(4) Uani 1 1 d . A .
C118 C 0.521(11) 0.170(8) 0.105(4) 0.07(5) Uani 1 1 d D . .
O2 O 0.593(7) 0.479(6) 0.206(3) 0.06(3) Uani 1 1 d . . .
C2A C 0.531(10) 0.496(8) 0.182(4) 0.04(3) Uani 1 1 d . . .
Si2A Si 0.436(9) 0.083(6) 0.119(3) 0.084(7) Uani 0.72(3) 1 d PD A 1
C19A C 0.38(3) 0.11(2) 0.170(8) 0.11(6) Uiso 0.72(3) 1 d PD A 1
H19A H 0.3258 0.0699 0.1777 0.159 Uiso 0.72(3) 1 calc PR A 1
H19B H 0.3410 0.1644 0.1695 0.159 Uiso 0.72(3) 1 calc PR A 1
H19C H 0.4352 0.1069 0.1882 0.159 Uiso 0.72(3) 1 calc PR A 1
C20A C 0.51(2) -0.024(15) 0.123(9) 0.11(6) Uiso 0.72(3) 1 d PD A 1
H20A H 0.4560 -0.0618 0.1338 0.159 Uiso 0.72(3) 1 calc PR A 1
H20B H 0.5679 -0.0236 0.1388 0.159 Uiso 0.72(3) 1 calc PR A 1
H20C H 0.5271 -0.0425 0.0977 0.159 Uiso 0.72(3) 1 calc PR A 1
C21A C 0.32(2) 0.08(2) 0.081(9) 0.11(6) Uiso 0.72(3) 1 d PD A 1
H21A H 0.2695 0.0435 0.0885 0.159 Uiso 0.72(3) 1 calc PR A 1
H21B H 0.3527 0.0660 0.0564 0.159 Uiso 0.72(3) 1 calc PR A 1
H21C H 0.2850 0.1369 0.0779 0.159 Uiso 0.72(3) 1 calc PR A 1
Sn2A Sn 0.651(2) 0.1471(14) 0.0668(7) 0.084(7) Uani 0.72(3) 1 d PD A 1
C22A C 0.79(3) 0.13(2) 0.098(10) 0.13(7) Uiso 0.72(3) 1 d P A 1
H22A H 0.8507 0.1542 0.0850 0.196 Uiso 0.72(3) 1 calc PR A 1
H22B H 0.8124 0.0697 0.1013 0.196 Uiso 0.72(3) 1 calc PR A 1
H22C H 0.7821 0.1523 0.1230 0.196 Uiso 0.72(3) 1 calc PR A 1
C23A C 0.67(3) 0.26(2) 0.035(12) 0.13(7) Uiso 0.72(3) 1 d P A 1
H23A H 0.7220 0.2542 0.0154 0.196 Uiso 0.72(3) 1 calc PR A 1
H23B H 0.6905 0.3040 0.0523 0.196 Uiso 0.72(3) 1 calc PR A 1
H23C H 0.5999 0.2818 0.0239 0.196 Uiso 0.72(3) 1 calc PR A 1
C24A C 0.63(3) 0.05(2) 0.027(10) 0.13(7) Uiso 0.72(3) 1 d P A 1
H24A H 0.6762 0.0598 0.0056 0.196 Uiso 0.72(3) 1 calc PR A 1
H24B H 0.5550 0.0573 0.0190 0.196 Uiso 0.72(3) 1 calc PR A 1
H24C H 0.6461 -0.0004 0.0394 0.196 Uiso 0.72(3) 1 calc PR A 1
Sn2B Sn 0.408(5) 0.089(4) 0.124(2) 0.084(7) Uani 0.28(3) 1 d PD A 2
C19B C 0.33(7) 0.12(6) 0.17(3) 0.11(17) Uiso 0.28(3) 1 d P A 2
H19D H 0.2829 0.1700 0.1657 0.159 Uiso 0.28(3) 1 calc PR A 2
H19E H 0.3841 0.1357 0.1897 0.159 Uiso 0.28(3) 1 calc PR A 2
H19F H 0.2923 0.0772 0.1806 0.159 Uiso 0.28(3) 1 calc PR A 2
C20B C 0.48(6) -0.01(4) 0.15(2) 0.11(17) Uiso 0.28(3) 1 d P A 2
H20D H 0.4753 -0.0551 0.1301 0.159 Uiso 0.28(3) 1 calc PR A 2
H20E H 0.4535 -0.0194 0.1710 0.159 Uiso 0.28(3) 1 calc PR A 2
H20F H 0.5591 0.0003 0.1483 0.159 Uiso 0.28(3) 1 calc PR A 2
C21B C 0.28(6) 0.08(6) 0.09(2) 0.11(17) Uiso 0.28(3) 1 d P A 2
H21D H 0.2225 0.1271 0.0946 0.159 Uiso 0.28(3) 1 calc PR A 2
H21E H 0.2451 0.0303 0.0931 0.159 Uiso 0.28(3) 1 calc PR A 2
H21F H 0.2981 0.0878 0.0625 0.159 Uiso 0.28(3) 1 calc PR A 2
Si2B Si 0.62(2) 0.129(19) 0.066(8) 0.084(7) Uani 0.28(3) 1 d PD A 2
C22B C 0.67(7) 0.23(4) 0.04(2) 0.10(14) Uiso 0.28(3) 1 d PD A 2
H22D H 0.7321 0.2125 0.0262 0.152 Uiso 0.28(3) 1 calc PR A 2
H22E H 0.6862 0.2660 0.0603 0.152 Uiso 0.28(3) 1 calc PR A 2
H22F H 0.6121 0.2520 0.0252 0.152 Uiso 0.28(3) 1 calc PR A 2
C23B C 0.57(6) 0.07(4) 0.024(17) 0.10(14) Uiso 0.28(3) 1 d PD A 2
H23D H 0.6172 0.0733 0.0033 0.152 Uiso 0.28(3) 1 calc PR A 2
H23E H 0.4983 0.1020 0.0158 0.152 Uiso 0.28(3) 1 calc PR A 2
H23F H 0.5535 0.0174 0.0315 0.152 Uiso 0.28(3) 1 calc PR A 2
C24B C 0.74(4) 0.07(4) 0.090(19) 0.10(14) Uiso 0.28(3) 1 d PD A 2
H24D H 0.8052 0.0886 0.0825 0.152 Uiso 0.28(3) 1 calc PR A 2
H24E H 0.7388 0.0095 0.0829 0.152 Uiso 0.28(3) 1 calc PR A 2
H24F H 0.7300 0.0694 0.1176 0.152 Uiso 0.28(3) 1 calc PR A 2
P5 P 0.560(3) 0.558(2) 0.0936(9) 0.035(7) Uani 1 1 d . . .
P6 P 0.306(3) 0.531(2) 0.0821(9) 0.036(7) Uani 1 1 d . . .
P7 P 0.286(3) 0.474(2) 0.1872(9) 0.037(8) Uani 1 1 d . . .
P8 P 0.359(3) 0.657(2) 0.1676(9) 0.039(8) Uani 1 1 d . . .
W2 W 0.4245(4) 0.5149(3) 0.14101(14) 0.0327(15) Uani 1 1 d . . .
C125 C 0.59(2) 0.144(18) 0.558(8) 0.18(8) Uiso 1 1 d D . .
H12P H 0.6650 0.1434 0.5666 0.273 Uiso 1 1 calc R . .
H12Q H 0.5424 0.1568 0.5785 0.273 Uiso 1 1 calc R . .
H12R H 0.5800 0.1849 0.5375 0.273 Uiso 1 1 calc R . .
C126 C 0.57(3) 0.057(18) 0.542(9) 0.18(8) Uiso 1 1 d D . .
H12S H 0.6416 0.0263 0.5399 0.219 Uiso 1 1 calc R . .
H12T H 0.5319 0.0283 0.5623 0.219 Uiso 1 1 calc R . .
C127 C 0.51(3) 0.046(15) 0.505(9) 0.18(8) Uiso 1 1 d D . .
H12U H 0.5537 0.0694 0.4846 0.219 Uiso 1 1 calc R . .
H12V H 0.4427 0.0793 0.5065 0.219 Uiso 1 1 calc R . .
C128 C 0.02(4) 0.15(2) 0.049(12) 0.13(10) Uiso 0.50 1 d PD . .
H121 H 0.0646 0.2019 0.0483 0.198 Uiso 0.50 1 calc PR . .
H122 H 0.0320 0.1255 0.0732 0.198 Uiso 0.50 1 calc PR . .
H123 H -0.0521 0.1709 0.0449 0.198 Uiso 0.50 1 calc PR . .
C129 C 0.06(3) 0.09(2) 0.016(11) 0.13(10) Uiso 0.50 1 d PD . .
H124 H 0.0583 0.1225 -0.0083 0.159 Uiso 0.50 1 calc PR . .
H125 H 0.1395 0.0744 0.0206 0.159 Uiso 0.50 1 calc PR . .
C130 C -0.01(3) 0.02(2) 0.019(7) 0.13(10) Uiso 0.50 1 d PD . .
H13A H -0.0834 0.0439 0.0216 0.159 Uiso 0.50 1 calc PR . .
H13B H 0.0118 -0.0135 0.0403 0.159 Uiso 0.50 1 calc PR . .
C131 C 1.16(3) 0.77(2) 0.299(13) 0.13(7) Uiso 0.50 1 d PD . .
H13C H 1.1124 0.7382 0.3152 0.202 Uiso 0.50 1 calc PR . .
H13D H 1.2215 0.7282 0.2918 0.202 Uiso 0.50 1 calc PR . .
H13E H 1.1238 0.7867 0.2761 0.202 Uiso 0.50 1 calc PR . .
C132 C 1.20(3) 0.84(2) 0.320(11) 0.13(7) Uiso 0.50 1 d PD . .
H13F H 1.1423 0.8791 0.3242 0.161 Uiso 0.50 1 calc PR . .
H13G H 1.2298 0.8184 0.3445 0.161 Uiso 0.50 1 calc PR . .
C133 C 1.29(3) 0.88(2) 0.300(10) 0.13(7) Uiso 0.50 1 d PD . .
H13H H 1.2614 0.9127 0.2774 0.161 Uiso 0.50 1 calc PR . .
H13I H 1.3469 0.8412 0.2908 0.161 Uiso 0.50 1 calc PR . .
C134 C 1.34(3) 0.94(2) 0.326(10) 0.13(7) Uiso 0.50 1 d PD . .
H13J H 1.2896 0.9854 0.3339 0.161 Uiso 0.50 1 calc PR . .
H13K H 1.3730 0.9131 0.3483 0.161 Uiso 0.50 1 calc PR . .
C135 C 1.43(3) 0.98(2) 0.304(11) 0.13(7) Uiso 0.50 1 d PD . .
H13L H 1.4930 0.9407 0.3001 0.161 Uiso 0.50 1 calc PR . .
H13M H 1.4073 1.0026 0.2796 0.161 Uiso 0.50 1 calc PR . .
C136 C 1.48(3) 1.05(2) 0.324(13) 0.13(7) Uiso 0.50 1 d PD . .
H13N H 1.5148 1.0878 0.3053 0.202 Uiso 0.50 1 calc PR . .
H13O H 1.5319 1.0328 0.3427 0.202 Uiso 0.50 1 calc PR . .
H13P H 1.4222 1.0867 0.3363 0.202 Uiso 0.50 1 calc PR . .
C137 C 1.73(5) 1.04(2) 0.237(11) 0.20(12) Uiso 0.50 1 d PG . .
H137 H 1.7349 0.9896 0.2475 0.236 Uiso 0.50 1 calc PR . .
C138 C 1.82(3) 1.09(3) 0.240(11) 0.20(12) Uiso 0.50 1 d PG . .
H138 H 1.8831 1.0686 0.2531 0.236 Uiso 0.50 1 calc PR . .
C139 C 1.82(3) 1.17(3) 0.225(12) 0.20(12) Uiso 0.50 1 d PG . .
H139 H 1.8767 1.2027 0.2271 0.236 Uiso 0.50 1 calc PR . .
C140 C 1.72(5) 1.20(2) 0.206(12) 0.20(12) Uiso 0.50 1 d PG . .
H140 H 1.7220 1.2577 0.1955 0.236 Uiso 0.50 1 calc PR . .
C141 C 1.64(3) 1.16(3) 0.203(11) 0.20(12) Uiso 0.50 1 d PG . .
H141 H 1.5738 1.1788 0.1899 0.236 Uiso 0.50 1 calc PR . .
C142 C 1.64(3) 1.08(3) 0.218(13) 0.20(12) Uiso 0.50 1 d PG . .
H142 H 1.5802 1.0447 0.2159 0.236 Uiso 0.50 1 calc PR . .
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'
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
C2 C1 P1 114(8) . .
C2 C1 H1A 108.6 . .
P1 C1 H1A 108.6 . .
C2 C1 H1B 108.6 . .
P1 C1 H1B 108.6 . .
H1A C1 H1B 107.6 . .
C1 C2 P2 109(8) . .
C1 C2 H2A 109.8 . .
P2 C2 H2A 109.8 . .
C1 C2 H2B 109.8 . .
P2 C2 H2B 109.8 . .
H2A C2 H2B 108.2 . .
C8 C3 C4 118(10) . .
C8 C3 P1 123(10) . .
C4 C3 P1 119(9) . .
C3 C4 C5 121(10) . .
C3 C4 H4 119.4 . .
C5 C4 H4 119.4 . .
C6 C5 C4 120(10) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C7 119(10) . .
C5 C6 H6 120.6 . .
C7 C6 H6 120.6 . .
C6 C7 C8 121(10) . .
C6 C7 H7 119.7 . .
C8 C7 H7 119.7 . .
C3 C8 C7 121(10) . .
C3 C8 H8 119.5 . .
C7 C8 H8 119.5 . .
C10 C9 C14 119(10) . .
C10 C9 P1 118(10) . .
C14 C9 P1 123(10) . .
C9 C10 C11 121(10) . .
C9 C10 H10 119.6 . .
C11 C10 H10 119.6 . .
C12 C11 C10 120(10) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C11 C12 C13 121(10) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C12 C13 C14 119(10) . .
C12 C13 H13 120.5 . .
C14 C13 H13 120.5 . .
C9 C14 C13 120(10) . .
C9 C14 H14 119.8 . .
C13 C14 H14 119.8 . .
C16 C15 C20 118(10) . .
C16 C15 P2 124(10) . .
C20 C15 P2 118(9) . .
C17 C16 C15 122(10) . .
C17 C16 H16 119.1 . .
C15 C16 H16 119.1 . .
C18 C17 C16 120(10) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C19 120(10) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C20 C19 C18 120(10) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C19 C20 C15 121(10) . .
C19 C20 H20 119.6 . .
C15 C20 H20 119.6 . .
C26 C21 C22 119(10) . .
C26 C21 P2 122(10) . .
C22 C21 P2 120(9) . .
C21 C22 C23 121(10) . .
C21 C22 H22 119.5 . .
C23 C22 H22 119.5 . .
C24 C23 C22 120(10) . .
C24 C23 H23 120.1 . .
C22 C23 H23 120.1 . .
C23 C24 C25 119(10) . .
C23 C24 H24 120.5 . .
C25 C24 H24 120.5 . .
C24 C25 C26 121(10) . .
C24 C25 H25 119.3 . .
C26 C25 H25 119.3 . .
C21 C26 C25 120(10) . .
C21 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C28 C27 P3 111(8) . .
C28 C27 H27A 109.3 . .
P3 C27 H27A 109.3 . .
C28 C27 H27B 109.3 . .
P3 C27 H27B 109.3 . .
H27A C27 H27B 108.0 . .
C27 C28 P4 111(8) . .
C27 C28 H28A 109.4 . .
P4 C28 H28A 109.4 . .
C27 C28 H28B 109.4 . .
P4 C28 H28B 109.4 . .
H28A C28 H28B 108.0 . .
C30 C29 C34 117(10) . .
C30 C29 P3 124(10) . .
C34 C29 P3 119(9) . .
C29 C30 C31 121(10) . .
C29 C30 H30 119.4 . .
C31 C30 H30 119.4 . .
C32 C31 C30 121(10) . .
C32 C31 H31 119.7 . .
C30 C31 H31 119.7 . .
C33 C32 C31 119(10) . .
C33 C32 H32 120.4 . .
C31 C32 H32 120.4 . .
C32 C33 C34 121(10) . .
C32 C33 H33 119.6 . .
C34 C33 H33 119.6 . .
C29 C34 C33 121(10) . .
C29 C34 H34 119.4 . .
C33 C34 H34 119.4 . .
C40 C35 C36 119(10) . .
C40 C35 P3 122(9) . .
C36 C35 P3 119(9) . .
C37 C36 C35 120(10) . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C38 C37 C36 122(10) . .
C38 C37 H37 119.2 . .
C36 C37 H37 119.2 . .
C37 C38 C39 118(10) . .
C37 C38 H38 120.8 . .
C39 C38 H38 120.8 . .
C40 C39 C38 120(10) . .
C40 C39 H39 119.8 . .
C38 C39 H39 119.8 . .
C35 C40 C39 120(10) . .
C35 C40 H40 119.8 . .
C39 C40 H40 119.8 . .
C42 C41 C46 119(10) . .
C42 C41 P4 120(10) . .
C46 C41 P4 121(9) . .
C41 C42 C43 119(10) . .
C41 C42 H42 120.7 . .
C43 C42 H42 120.7 . .
C44 C43 C42 122(10) . .
C44 C43 H43 119.2 . .
C42 C43 H43 119.2 . .
C45 C44 C43 120(10) . .
C45 C44 H44 120.2 . .
C43 C44 H44 120.2 . .
C44 C45 C46 120(10) . .
C44 C45 H45 119.9 . .
C46 C45 H45 119.9 . .
C41 C46 C45 121(10) . .
C41 C46 H46 119.4 . .
C45 C46 H46 119.4 . .
C48 C47 C52 118(10) . .
C48 C47 P4 126(9) . .
C52 C47 P4 116(9) . .
C47 C48 C49 123(10) . .
C47 C48 H48 118.7 . .
C49 C48 H48 118.7 . .
C48 C49 C50 119(10) . .
C48 C49 H49 120.6 . .
C50 C49 H49 120.6 . .
C49 C50 C51 120(10) . .
C49 C50 H50 120.2 . .
C51 C50 H50 120.2 . .
C52 C51 C50 120(10) . .
C52 C51 H51 120.0 . .
C50 C51 H51 120.0 . .
C51 C52 C47 121(10) . .
C51 C52 H52 119.4 . .
C47 C52 H52 119.4 . .
C54 C53 W1 176(10) . .
C55 C54 C53 169(10) . .
C54 C55 C56 178(10) . .
C55 C56 Si1 119(10) . .
C55 C56 Sn1 117(10) . .
Si1 C56 Sn1 124(6) . .
Sn1 C57 H57A 109.5 . .
Sn1 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
Sn1 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
Sn1 C58 H58A 109.5 . .
Sn1 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
Sn1 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
Sn1 C59 H59A 109.5 . .
Sn1 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
Sn1 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
Si1 C60 H60A 109.5 . .
Si1 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
Si1 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
Si1 C61 H61A 109.5 . .
Si1 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
Si1 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
Si1 C62 H62A 109.5 . .
Si1 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
Si1 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O1 C1A W1 175(10) . .
C61 Si1 C56 111(8) . .
C61 Si1 C62 108(9) . .
C56 Si1 C62 110(7) . .
C61 Si1 C60 110(7) . .
C56 Si1 C60 107(7) . .
C62 Si1 C60 110(8) . .
C1 P1 C3 99(6) . .
C1 P1 C9 105(6) . .
C3 P1 C9 101(5) . .
C1 P1 W1 107(4) . .
C3 P1 W1 122(4) . .
C9 P1 W1 120(4) . .
C2 P2 C15 105(6) . .
C2 P2 C21 103(5) . .
C15 P2 C21 99(5) . .
C2 P2 W1 112(4) . .
C15 P2 W1 114(4) . .
C21 P2 W1 123(4) . .
C29 P3 C27 102(5) . .
C29 P3 C35 99(5) . .
C27 P3 C35 102(5) . .
C29 P3 W1 125(4) . .
C27 P3 W1 107(4) . .
C35 P3 W1 118(4) . .
C41 P4 C47 100(5) . .
C41 P4 C28 101(5) . .
C47 P4 C28 104(5) . .
C41 P4 W1 119(4) . .
C47 P4 W1 120(4) . .
C28 P4 W1 110(4) . .
C59 Sn1 C56 112(6) . .
C59 Sn1 C58 108(8) . .
C56 Sn1 C58 108(6) . .
C59 Sn1 C57 111(7) . .
C56 Sn1 C57 110(6) . .
C58 Sn1 C57 109(7) . .
C53 W1 C1A 84(5) . .
C53 W1 P2 89(3) . .
C1A W1 P2 88(3) . .
C53 W1 P4 92(3) . .
C1A W1 P4 93(3) . .
P2 W1 P4 178.4(10) . .
C53 W1 P3 92(3) . .
C1A W1 P3 171(3) . .
P2 W1 P3 98.7(10) . .
P4 W1 P3 80.4(10) . .
C53 W1 P1 167(3) . .
C1A W1 P1 92(3) . .
P2 W1 P1 79.2(10) . .
P4 W1 P1 99.5(10) . .
P3 W1 P1 94.6(10) . .
C64 C63 P5 112(8) . .
C64 C63 H63A 109.3 . .
P5 C63 H63A 109.3 . .
C64 C63 H63B 109.3 . .
P5 C63 H63B 109.3 . .
H63A C63 H63B 107.9 . .
C63 C64 P6 110(8) . .
C63 C64 H64A 109.7 . .
P6 C64 H64A 109.7 . .
C63 C64 H64B 109.7 . .
P6 C64 H64B 109.7 . .
H64A C64 H64B 108.2 . .
C70 C65 C66 118(10) . .
C70 C65 P5 121(10) . .
C66 C65 P5 121(10) . .
C67 C66 C65 121(10) . .
C67 C66 H66 119.4 . .
C65 C66 H66 119.4 . .
C68 C67 C66 121(10) . .
C68 C67 H67 119.6 . .
C66 C67 H67 119.6 . .
C67 C68 C69 119(10) . .
C67 C68 H68 120.7 . .
C69 C68 H68 120.7 . .
C68 C69 C70 121(10) . .
C68 C69 H69 119.5 . .
C70 C69 H69 119.5 . .
C65 C70 C69 120(10) . .
C65 C70 H70 119.8 . .
C69 C70 H70 119.8 . .
C76 C71 C72 118(10) . .
C76 C71 P5 124(10) . .
C72 C71 P5 118(10) . .
C73 C72 C71 122(10) . .
C73 C72 H72 119.2 . .
C71 C72 H72 119.2 . .
C74 C73 C72 122(10) . .
C74 C73 H73 118.8 . .
C72 C73 H73 118.8 . .
C73 C74 C75 119(10) . .
C73 C74 H74 120.7 . .
C75 C74 H74 120.7 . .
C76 C75 C74 119(10) . .
C76 C75 H75 120.3 . .
C74 C75 H75 120.3 . .
C71 C76 C75 120(10) . .
C71 C76 H76 120.1 . .
C75 C76 H76 120.1 . .
C82 C77 C78 117(10) . .
C82 C77 P6 124(10) . .
C78 C77 P6 119(10) . .
C79 C78 C77 121(10) . .
C79 C78 H78 119.5 . .
C77 C78 H78 119.5 . .
C80 C79 C78 120(10) . .
C80 C79 H79 120.2 . .
C78 C79 H79 120.2 . .
C79 C80 C81 120(10) . .
C79 C80 H80 119.9 . .
C81 C80 H80 119.9 . .
C82 C81 C80 120(10) . .
C82 C81 H81 119.8 . .
C80 C81 H81 119.8 . .
C81 C82 C77 122(10) . .
C81 C82 H82 119.2 . .
C77 C82 H82 119.2 . .
C84 C83 C88 119(10) . .
C84 C83 P6 123(10) . .
C88 C83 P6 118(9) . .
C83 C84 C85 121(10) . .
C83 C84 H84 119.6 . .
C85 C84 H84 119.6 . .
C86 C85 C84 120(10) . .
C86 C85 H85 120.0 . .
C84 C85 H85 120.0 . .
C85 C86 C87 121(10) . .
C85 C86 H86 119.4 . .
C87 C86 H86 119.4 . .
C88 C87 C86 118(10) . .
C88 C87 H87 120.9 . .
C86 C87 H87 120.9 . .
C83 C88 C87 121(10) . .
C83 C88 H88 119.5 . .
C87 C88 H88 119.5 . .
C90 C89 P7 110(9) . .
C90 C89 H89A 109.7 . .
P7 C89 H89A 109.7 . .
C90 C89 H89B 109.7 . .
P7 C89 H89B 109.7 . .
H89A C89 H89B 108.2 . .
C89 C90 P8 114(9) . .
C89 C90 H90A 108.8 . .
P8 C90 H90A 108.8 . .
C89 C90 H90B 108.8 . .
P8 C90 H90B 108.8 . .
H90A C90 H90B 107.7 . .
C92 C91 C96 117(10) . .
C92 C91 P8 121(10) . .
C96 C91 P8 122(10) . .
C91 C92 C93 122(10) . .
C91 C92 H92 119.1 . .
C93 C92 H92 119.1 . .
C94 C93 C92 120(10) . .
C94 C93 H93 120.1 . .
C92 C93 H93 120.1 . .
C93 C94 C95 121(10) . .
C93 C94 H94 119.6 . .
C95 C94 H94 119.6 . .
C94 C95 C96 119(10) . .
C94 C95 H95 120.5 . .
C96 C95 H95 120.5 . .
C91 C96 C95 122(10) . .
C91 C96 H96 119.1 . .
C95 C96 H96 119.1 . .
C102 C97 C98 118(10) . .
C102 C97 P8 125(10) . .
C98 C97 P8 117(10) . .
C99 C98 C97 121(10) . .
C99 C98 H98 119.7 . .
C97 C98 H98 119.7 . .
C98 C99 C100 120(10) . .
C98 C99 H99 119.8 . .
C100 C99 H99 119.8 . .
C101 C100 C99 120(10) . .
C101 C100 H100 119.9 . .
C99 C100 H100 119.9 . .
C100 C101 C102 121(10) . .
C100 C101 H101 119.7 . .
C102 C101 H101 119.7 . .
C101 C102 C97 120(10) . .
C101 C102 H102 119.9 . .
C97 C102 H102 119.9 . .
C104 C103 C108 118(10) . .
C104 C103 P7 120(9) . .
C108 C103 P7 122(10) . .
C105 C104 C103 122(10) . .
C105 C104 H104 118.9 . .
C103 C104 H104 118.9 . .
C104 C105 C106 119(10) . .
C104 C105 H105 120.5 . .
C106 C105 H105 120.5 . .
C107 C106 C105 119(10) . .
C107 C106 H106 120.3 . .
C105 C106 H106 120.3 . .
C108 C107 C106 121(10) . .
C108 C107 H107 119.6 . .
C106 C107 H107 119.6 . .
C107 C108 C103 121(10) . .
C107 C108 H108 119.6 . .
C103 C108 H108 119.6 . .
C114 C109 C110 119(10) . .
C114 C109 P7 123(10) . .
C110 C109 P7 118(10) . .
C111 C110 C109 120(10) . .
C111 C110 H110 119.8 . .
C109 C110 H110 119.8 . .
C110 C111 C112 120(10) . .
C110 C111 H111 120.0 . .
C112 C111 H111 120.0 . .
C113 C112 C111 119(10) . .
C113 C112 H112 120.3 . .
C111 C112 H112 120.3 . .
C112 C113 C114 121(10) . .
C112 C113 H113 119.3 . .
C114 C113 H113 119.3 . .
C113 C114 C109 120(10) . .
C113 C114 H114 120.2 . .
C109 C114 H114 120.2 . .
C116 C115 W2 176(10) . .
C117 C116 C115 168(10) . .
C116 C117 C118 177(10) . .
C117 C118 Si2A 123(10) . .
C117 C118 Si2B 129(10) . .
Si2A C118 Si2B 107(10) . .
C117 C118 Sn2B 114(9) . .
Si2A C118 Sn2B 9(4) . .
Si2B C118 Sn2B 116(10) . .
C117 C118 Sn2A 118(9) . .
Si2A C118 Sn2A 119(7) . .
Si2B C118 Sn2A 13(10) . .
Sn2B C118 Sn2A 128(7) . .
O2 C2A W2 174(10) . .
C20A Si2A C118 117(10) . .
C20A Si2A C21A 108(10) . .
C118 Si2A C21A 106(10) . .
C20A Si2A C19A 107(10) . .
C118 Si2A C19A 106(10) . .
C21A Si2A C19A 112(10) . .
Si2A C19A H19A 109.5 . .
Si2A C19A H19B 109.5 . .
H19A C19A H19B 109.5 . .
Si2A C19A H19C 109.5 . .
H19A C19A H19C 109.5 . .
H19B C19A H19C 109.5 . .
Si2A C20A H20A 109.5 . .
Si2A C20A H20B 109.5 . .
H20A C20A H20B 109.5 . .
Si2A C20A H20C 109.5 . .
H20A C20A H20C 109.5 . .
H20B C20A H20C 109.5 . .
Si2A C21A H21A 109.5 . .
Si2A C21A H21B 109.5 . .
H21A C21A H21B 109.5 . .
Si2A C21A H21C 109.5 . .
H21A C21A H21C 109.5 . .
H21B C21A H21C 109.5 . .
C22A Sn2A C118 109(10) . .
C22A Sn2A C24A 114(10) . .
C118 Sn2A C24A 114(10) . .
C22A Sn2A C23A 104(10) . .
C118 Sn2A C23A 106(10) . .
C24A Sn2A C23A 109(10) . .
Sn2A C22A H22A 109.5 . .
Sn2A C22A H22B 109.5 . .
H22A C22A H22B 109.5 . .
Sn2A C22A H22C 109.5 . .
H22A C22A H22C 109.5 . .
H22B C22A H22C 109.5 . .
Sn2A C23A H23A 109.5 . .
Sn2A C23A H23B 109.5 . .
H23A C23A H23B 109.5 . .
Sn2A C23A H23C 109.5 . .
H23A C23A H23C 109.5 . .
H23B C23A H23C 109.5 . .
Sn2A C24A H24A 109.5 . .
Sn2A C24A H24B 109.5 . .
H24A C24A H24B 109.5 . .
Sn2A C24A H24C 109.5 . .
H24A C24A H24C 109.5 . .
H24B C24A H24C 109.5 . .
C20B Sn2B C19B 95(10) . .
C20B Sn2B C21B 122(10) . .
C19B Sn2B C21B 99(10) . .
C20B Sn2B C118 109(10) . .
C19B Sn2B C118 114(10) . .
C21B Sn2B C118 115(10) . .
Sn2B C19B H19D 109.5 . .
Sn2B C19B H19E 109.5 . .
H19D C19B H19E 109.5 . .
Sn2B C19B H19F 109.5 . .
H19D C19B H19F 109.5 . .
H19E C19B H19F 109.5 . .
Sn2B C20B H20D 109.5 . .
Sn2B C20B H20E 109.5 . .
H20D C20B H20E 109.5 . .
Sn2B C20B H20F 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
Sn2B C21B H21D 109.5 . .
Sn2B C21B H21E 109.5 . .
H21D C21B H21E 109.5 . .
Sn2B C21B H21F 109.5 . .
H21D C21B H21F 109.5 . .
H21E C21B H21F 109.5 . .
C24B Si2B C23B 112(10) . .
C24B Si2B C118 109(10) . .
C23B Si2B C118 119(10) . .
C24B Si2B C22B 111(10) . .
C23B Si2B C22B 101(10) . .
C118 Si2B C22B 104(10) . .
Si2B C22B H22D 109.5 . .
Si2B C22B H22E 109.5 . .
H22D C22B H22E 109.5 . .
Si2B C22B H22F 109.5 . .
H22D C22B H22F 109.5 . .
H22E C22B H22F 109.5 . .
Si2B C23B H23D 109.5 . .
Si2B C23B H23E 109.5 . .
H23D C23B H23E 109.5 . .
Si2B C23B H23F 109.5 . .
H23D C23B H23F 109.5 . .
H23E C23B H23F 109.5 . .
Si2B C24B H24D 109.5 . .
Si2B C24B H24E 109.5 . .
H24D C24B H24E 109.5 . .
Si2B C24B H24F 109.5 . .
H24D C24B H24F 109.5 . .
H24E C24B H24F 109.5 . .
C71 P5 C65 99(5) . .
C71 P5 C63 104(6) . .
C65 P5 C63 101(6) . .
C71 P5 W2 122(4) . .
C65 P5 W2 119(4) . .
C63 P5 W2 109(4) . .
C77 P6 C83 99(6) . .
C77 P6 C64 101(5) . .
C83 P6 C64 102(6) . .
C77 P6 W2 119(4) . .
C83 P6 W2 125(4) . .
C64 P6 W2 107(4) . .
C89 P7 C103 103(6) . .
C89 P7 C109 105(6) . .
C103 P7 C109 99(5) . .
C89 P7 W2 111(4) . .
C103 P7 W2 123(4) . .
C109 P7 W2 114(4) . .
C97 P8 C90 105(6) . .
C97 P8 C91 101(6) . .
C90 P8 C91 98(6) . .
C97 P8 W2 120(4) . .
C90 P8 W2 106(4) . .
C91 P8 W2 123(4) . .
C115 W2 C2A 85(5) . .
C115 W2 P7 89(3) . .
C2A W2 P7 87(3) . .
C115 W2 P5 91(3) . .
C2A W2 P5 94(3) . .
P7 W2 P5 178.5(11) . .
C115 W2 P6 91(4) . .
C2A W2 P6 173(4) . .
P7 W2 P6 98.3(10) . .
P5 W2 P6 80.3(10) . .
C115 W2 P8 168(3) . .
C2A W2 P8 91(4) . .
P7 W2 P8 79.6(11) . .
P5 W2 P8 100.0(10) . .
P6 W2 P8 94.5(10) . .
C126 C125 H12P 109.5 . .
C126 C125 H12Q 109.5 . .
H12P C125 H12Q 109.5 . .
C126 C125 H12R 109.5 . .
H12P C125 H12R 109.5 . .
H12Q C125 H12R 109.5 . .
C127 C126 C125 122(10) . .
C127 C126 H12S 106.8 . .
C125 C126 H12S 106.8 . .
C127 C126 H12T 106.8 . .
C125 C126 H12T 106.8 . .
H12S C126 H12T 106.7 . .
C126 C127 C127 117(10) . 2_656
C126 C127 H12U 108.1 . .
C127 C127 H12U 108.1 2_656 .
C126 C127 H12V 108.1 . .
C127 C127 H12V 108.1 2_656 .
H12U C127 H12V 107.3 . .
C129 C128 H121 109.5 . .
C129 C128 H122 109.5 . .
H121 C128 H122 109.5 . .
C129 C128 H123 109.5 . .
H121 C128 H123 109.5 . .
H122 C128 H123 109.5 . .
C130 C129 C128 106(10) . .
C130 C129 H124 110.6 . .
C128 C129 H124 110.6 . .
C130 C129 H125 110.6 . .
C128 C129 H125 110.6 . .
H124 C129 H125 108.8 . .
C129 C130 C130 107(10) . 2
C129 C130 H13A 110.4 . .
C130 C130 H13A 110.4 2 .
C129 C130 H13B 110.4 . .
C130 C130 H13B 110.4 2 .
H13A C130 H13B 108.6 . .
C132 C131 H13C 109.5 . .
C132 C131 H13D 109.5 . .
H13C C131 H13D 109.5 . .
C132 C131 H13E 109.5 . .
H13C C131 H13E 109.5 . .
H13D C131 H13E 109.5 . .
C133 C132 C131 116(10) . .
C133 C132 H13F 108.3 . .
C131 C132 H13F 108.3 . .
C133 C132 H13G 108.3 . .
C131 C132 H13G 108.3 . .
H13F C132 H13G 107.4 . .
C132 C133 C134 112(10) . .
C132 C133 H13H 109.1 . .
C134 C133 H13H 109.1 . .
C132 C133 H13I 109.1 . .
C134 C133 H13I 109.1 . .
H13H C133 H13I 107.9 . .
C135 C134 C133 110(10) . .
C135 C134 H13J 109.6 . .
C133 C134 H13J 109.6 . .
C135 C134 H13K 109.6 . .
C133 C134 H13K 109.6 . .
H13J C134 H13K 108.1 . .
C136 C135 C134 116(10) . .
C136 C135 H13L 108.3 . .
C134 C135 H13L 108.3 . .
C136 C135 H13M 108.3 . .
C134 C135 H13M 108.3 . .
H13L C135 H13M 107.4 . .
C135 C136 H13N 109.5 . .
C135 C136 H13O 109.5 . .
H13N C136 H13O 109.5 . .
C135 C136 H13P 109.5 . .
H13N C136 H13P 109.5 . .
H13O C136 H13P 109.5 . .
C138 C137 C142 120.00(10) . .
C138 C137 H137 120.0 . .
C142 C137 H137 120.0 . .
C139 C138 C137 120.0(3) . .
C139 C138 H138 120.0 . .
C137 C138 H138 120.0 . .
C140 C139 C138 120.0(4) . .
C140 C139 H139 120.0 . .
C138 C139 H139 120.0 . .
C139 C140 C141 120.00(14) . .
C139 C140 H140 120.0 . .
C141 C140 H140 120.0 . .
C140 C141 C142 120.00(18) . .
C140 C141 H141 120.0 . .
C142 C141 H141 120.0 . .
C141 C142 C137 120.0(4) . .
C141 C142 H142 120.0 . .
C137 C142 H142 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.52(16) .
C1 P1 1.83(13) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 P2 1.83(11) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C8 1.36(17) .
C3 C4 1.38(18) .
C3 P1 1.84(12) .
C4 C5 1.41(18) .
C4 H4 0.9300 .
C5 C6 1.36(19) .
C5 H5 0.9300 .
C6 C7 1.4(2) .
C6 H6 0.9300 .
C7 C8 1.4(2) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.38(17) .
C9 C14 1.38(17) .
C9 P1 1.85(12) .
C10 C11 1.38(18) .
C10 H10 0.9300 .
C11 C12 1.4(2) .
C11 H11 0.9300 .
C12 C13 1.4(2) .
C12 H12 0.9300 .
C13 C14 1.40(18) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.39(17) .
C15 C20 1.40(17) .
C15 P2 1.83(12) .
C16 C17 1.39(17) .
C16 H16 0.9300 .
C17 C18 1.36(18) .
C17 H17 0.9300 .
C18 C19 1.39(18) .
C18 H18 0.9300 .
C19 C20 1.39(17) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C26 1.37(17) .
C21 C22 1.38(16) .
C21 P2 1.83(11) .
C22 C23 1.41(16) .
C22 H22 0.9300 .
C23 C24 1.36(19) .
C23 H23 0.9300 .
C24 C25 1.4(2) .
C24 H24 0.9300 .
C25 C26 1.38(19) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.53(15) .
C27 P3 1.84(11) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 P4 1.85(11) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.39(16) .
C29 C34 1.39(16) .
C29 P3 1.83(11) .
C30 C31 1.39(17) .
C30 H30 0.9300 .
C31 C32 1.37(19) .
C31 H31 0.9300 .
C32 C33 1.36(18) .
C32 H32 0.9300 .
C33 C34 1.40(16) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C40 1.37(16) .
C35 C36 1.40(16) .
C35 P3 1.87(11) .
C36 C37 1.38(15) .
C36 H36 0.9300 .
C37 C38 1.37(18) .
C37 H37 0.9300 .
C38 C39 1.40(18) .
C38 H38 0.9300 .
C39 C40 1.39(16) .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C42 1.37(17) .
C41 C46 1.38(17) .
C41 P4 1.83(12) .
C42 C43 1.40(18) .
C42 H42 0.9300 .
C43 C44 1.4(2) .
C43 H43 0.9300 .
C44 C45 1.34(18) .
C44 H44 0.9300 .
C45 C46 1.39(17) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C48 1.36(16) .
C47 C52 1.40(16) .
C47 P4 1.84(11) .
C48 C49 1.39(16) .
C48 H48 0.9300 .
C49 C50 1.39(18) .
C49 H49 0.9300 .
C50 C51 1.39(18) .
C50 H50 0.9300 .
C51 C52 1.37(16) .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C54 1.31(16) .
C53 W1 1.92(11) .
C54 C55 1.28(16) .
C55 C56 1.34(17) .
C56 Si1 1.87(15) .
C56 Sn1 2.12(14) .
C57 Sn1 2.14(16) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C58 Sn1 2.13(17) .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 Sn1 2.12(16) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 Si1 1.89(14) .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C61 Si1 1.85(17) .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
C62 Si1 1.87(17) .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C1A O1 1.16(14) .
C1A W1 1.97(13) .
P1 W1 2.57(3) .
P2 W1 2.46(3) .
P3 W1 2.53(3) .
P4 W1 2.46(3) .
C63 C64 1.52(16) .
C63 P5 1.83(12) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C64 P6 1.87(11) .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 C70 1.36(17) .
C65 C66 1.41(16) .
C65 P5 1.83(12) .
C66 C67 1.38(17) .
C66 H66 0.9300 .
C67 C68 1.36(19) .
C67 H67 0.9300 .
C68 C69 1.38(19) .
C68 H68 0.9300 .
C69 C70 1.41(18) .
C69 H69 0.9300 .
C70 H70 0.9300 .
C71 C76 1.39(18) .
C71 C72 1.39(18) .
C71 P5 1.83(13) .
C72 C73 1.36(19) .
C72 H72 0.9300 .
C73 C74 1.3(2) .
C73 H73 0.9300 .
C74 C75 1.4(2) .
C74 H74 0.9300 .
C75 C76 1.4(2) .
C75 H75 0.9300 .
C76 H76 0.9300 .
C77 C82 1.38(17) .
C77 C78 1.41(17) .
C77 P6 1.84(13) .
C78 C79 1.41(18) .
C78 H78 0.9300 .
C79 C80 1.4(2) .
C79 H79 0.9300 .
C80 C81 1.4(2) .
C80 H80 0.9300 .
C81 C82 1.37(18) .
C81 H81 0.9300 .
C82 H82 0.9300 .
C83 C84 1.36(17) .
C83 C88 1.39(17) .
C83 P6 1.84(12) .
C84 C85 1.40(17) .
C84 H84 0.9300 .
C85 C86 1.35(19) .
C85 H85 0.9300 .
C86 C87 1.40(19) .
C86 H86 0.9300 .
C87 C88 1.39(17) .
C87 H87 0.9300 .
C88 H88 0.9300 .
C89 C90 1.52(17) .
C89 P7 1.83(12) .
C89 H89A 0.9700 .
C89 H89B 0.9700 .
C90 P8 1.84(12) .
C90 H90A 0.9700 .
C90 H90B 0.9700 .
C91 C92 1.36(19) .
C91 C96 1.38(19) .
C91 P8 1.85(13) .
C92 C93 1.4(2) .
C92 H92 0.9300 .
C93 C94 1.3(2) .
C93 H93 0.9300 .
C94 C95 1.4(2) .
C94 H94 0.9300 .
C95 C96 1.4(2) .
C95 H95 0.9300 .
C96 H96 0.9300 .
C97 C102 1.39(19) .
C97 C98 1.40(19) .
C97 P8 1.82(13) .
C98 C99 1.4(2) .
C98 H98 0.9300 .
C99 C100 1.4(3) .
C99 H99 0.9300 .
C100 C101 1.3(3) .
C100 H100 0.9300 .
C101 C102 1.4(2) .
C101 H101 0.9300 .
C102 H102 0.9300 .
C103 C104 1.38(18) .
C103 C108 1.39(16) .
C103 P7 1.83(13) .
C104 C105 1.37(18) .
C104 H104 0.9300 .
C105 C106 1.40(19) .
C105 H105 0.9300 .
C106 C107 1.4(2) .
C106 H106 0.9300 .
C107 C108 1.37(19) .
C107 H107 0.9300 .
C108 H108 0.9300 .
C109 C114 1.39(17) .
C109 C110 1.39(17) .
C109 P7 1.85(12) .
C110 C111 1.37(18) .
C110 H110 0.9300 .
C111 C112 1.4(2) .
C111 H111 0.9300 .
C112 C113 1.4(2) .
C112 H112 0.9300 .
C113 C114 1.37(19) .
C113 H113 0.9300 .
C114 H114 0.9300 .
C115 C116 1.32(17) .
C115 W2 1.91(13) .
C116 C117 1.27(18) .
C117 C118 1.28(17) .
C118 Si2A 1.88(13) .
C118 Si2B 1.91(16) .
C118 Sn2B 2.08(11) .
C118 Sn2A 2.09(11) .
O2 C2A 1.15(14) .
C2A W2 1.97(14) .
Si2A C20A 1.9(2) .
Si2A C21A 2.0(3) .
Si2A C19A 2.0(3) .
C19A H19A 0.9600 .
C19A H19B 0.9600 .
C19A H19C 0.9600 .
C20A H20A 0.9600 .
C20A H20B 0.9600 .
C20A H20C 0.9600 .
C21A H21A 0.9600 .
C21A H21B 0.9600 .
C21A H21C 0.9600 .
Sn2A C22A 2.1(3) .
Sn2A C24A 2.1(3) .
Sn2A C23A 2.2(3) .
C22A H22A 0.9600 .
C22A H22B 0.9600 .
C22A H22C 0.9600 .
C23A H23A 0.9600 .
C23A H23B 0.9600 .
C23A H23C 0.9600 .
C24A H24A 0.9600 .
C24A H24B 0.9600 .
C24A H24C 0.9600 .
Sn2B C20B 1.9(7) .
Sn2B C19B 2.0(8) .
Sn2B C21B 2.1(8) .
C19B H19D 0.9600 .
C19B H19E 0.9600 .
C19B H19F 0.9600 .
C20B H20D 0.9600 .
C20B H20E 0.9600 .
C20B H20F 0.9600 .
C21B H21D 0.9600 .
C21B H21E 0.9600 .
C21B H21F 0.9600 .
Si2B C24B 1.89(17) .
Si2B C23B 1.90(17) .
Si2B C22B 1.92(17) .
C22B H22D 0.9600 .
C22B H22E 0.9600 .
C22B H22F 0.9600 .
C23B H23D 0.9600 .
C23B H23E 0.9600 .
C23B H23F 0.9600 .
C24B H24D 0.9600 .
C24B H24E 0.9600 .
C24B H24F 0.9600 .
P5 W2 2.47(3) .
P6 W2 2.53(3) .
P7 W2 2.46(3) .
P8 W2 2.57(3) .
C125 C126 1.6(3) .
C125 H12P 0.9600 .
C125 H12Q 0.9600 .
C125 H12R 0.9600 .
C126 C127 1.5(3) .
C126 H12S 0.9700 .
C126 H12T 0.9700 .
C127 C127 1.6(5) 2_656
C127 H12U 0.9700 .
C127 H12V 0.9700 .
C128 C129 1.56(16) .
C128 H121 0.9600 .
C128 H122 0.9600 .
C128 H123 0.9600 .
C129 C130 1.50(16) .
C129 H124 0.9700 .
C129 H125 0.9700 .
C130 C130 1.52(16) 2
C130 H13A 0.9700 .
C130 H13B 0.9700 .
C131 C132 1.52(16) .
C131 H13C 0.9600 .
C131 H13D 0.9600 .
C131 H13E 0.9600 .
C132 C133 1.50(16) .
C132 H13F 0.9700 .
C132 H13G 0.9700 .
C133 C134 1.53(16) .
C133 H13H 0.9700 .
C133 H13I 0.9700 .
C134 C135 1.51(16) .
C134 H13J 0.9700 .
C134 H13K 0.9700 .
C135 C136 1.49(16) .
C135 H13L 0.9700 .
C135 H13M 0.9700 .
C136 H13N 0.9600 .
C136 H13O 0.9600 .
C136 H13P 0.9600 .
C137 C138 1.390(4) .
C137 C142 1.390(2) .
C137 H137 0.9300 .
C138 C139 1.3900(14) .
C138 H138 0.9300 .
C139 C140 1.3900(19) .
C139 H139 0.9300 .
C140 C141 1.390(4) .
C140 H140 0.9300 .
C141 C142 1.3900 .
C141 H141 0.9300 .
C142 H142 0.9300 .
