# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Mitsuo Kira'
_publ_contact_author_email       MKIRA@MAIL.TAINS.TOHOKU.AC.JP

_publ_section_title              
;
Formation of a Stannylstannylene via Intramolecular
Carbene Addition of a Transient Stannaacethylene (RSn?CR')
;
loop_
_publ_author_name
'Mitsuo Kira'
'Katsuyuki Hirai'
'Kenkichi Sakamoto'
'Wataru Setaka'
'Hideo Tomioka'

# Attachment '1_R1.cif'

data_sn
_database_code_depnum_ccdc_archive 'CCDC 697285'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            diazomethylstannylene
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H58 N2 Si Sn'
_chemical_formula_sum            'C40 H58 N2 Si Sn'
_chemical_formula_weight         713.66

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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.155(3)
_cell_length_b                   10.299(3)
_cell_length_c                   21.771(6)
_cell_angle_alpha                83.444(5)
_cell_angle_beta                 82.344(6)
_cell_angle_gamma                62.356(5)
_cell_volume                     1995.5(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7679
_exptl_absorpt_correction_T_max  0.8181
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10473
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0814
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.89
_diffrn_reflns_theta_max         25.05
_reflns_number_total             6943
_reflns_number_gt                5479
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1033P)^2^+4.1975P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6943
_refine_ls_number_parameters     416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0766
_refine_ls_wR_factor_ref         0.2056
_refine_ls_wR_factor_gt          0.1953
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_restrained_S_all      1.141
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.57884(6) 0.34461(6) 0.28366(3) 0.03108(19) Uani 1 1 d . . .
Si1 Si 0.7687(3) 0.0066(2) 0.37580(11) 0.0415(6) Uani 1 1 d . . .
N1 N 0.8944(7) 0.1025(6) 0.2761(3) 0.0315(14) Uani 1 1 d . . .
N2 N 1.0049(8) 0.0683(8) 0.2464(4) 0.0485(18) Uani 1 1 d . . .
C1 C 0.6994(7) 0.4184(7) 0.2087(3) 0.0255(14) Uani 1 1 d . . .
C2 C 0.7721(8) 0.4969(7) 0.2255(3) 0.0282(15) Uani 1 1 d . . .
C3 C 0.8446(8) 0.5537(8) 0.1782(4) 0.0358(18) Uani 1 1 d . . .
H3A H 0.8950 0.6046 0.1892 0.043 Uiso 1 1 calc R . .
C4 C 0.8432(9) 0.5366(9) 0.1174(4) 0.0389(19) Uani 1 1 d . . .
H4A H 0.8943 0.5738 0.0864 0.047 Uiso 1 1 calc R . .
C5 C 0.7669(9) 0.4643(8) 0.0995(4) 0.0344(17) Uani 1 1 d . . .
H5A H 0.7664 0.4536 0.0567 0.041 Uiso 1 1 calc R . .
C6 C 0.6921(7) 0.4084(7) 0.1447(3) 0.0277(15) Uani 1 1 d . . .
C7 C 0.7571(8) 0.5216(7) 0.2933(4) 0.0295(16) Uani 1 1 d . . .
C8 C 0.8783(8) 0.4433(8) 0.3312(4) 0.0320(16) Uani 1 1 d . . .
C9 C 0.8541(9) 0.4613(9) 0.3940(4) 0.0377(18) Uani 1 1 d . . .
H9A H 0.9355 0.4088 0.4187 0.045 Uiso 1 1 calc R . .
C10 C 0.7145(9) 0.5537(9) 0.4231(4) 0.0388(18) Uani 1 1 d . . .
C11 C 0.5984(9) 0.6334(9) 0.3849(4) 0.0375(18) Uani 1 1 d . . .
H11A H 0.5034 0.6990 0.4034 0.045 Uiso 1 1 calc R . .
C12 C 0.6160(8) 0.6206(8) 0.3213(4) 0.0317(16) Uani 1 1 d . . .
C13 C 1.0345(9) 0.3438(9) 0.3020(4) 0.042(2) Uani 1 1 d . . .
H13A H 1.0229 0.3133 0.2618 0.050 Uiso 1 1 calc R . .
C14 C 1.1201(10) 0.2042(10) 0.3421(5) 0.054(3) Uani 1 1 d . . .
H14A H 1.0618 0.1494 0.3511 0.081 Uiso 1 1 calc R . .
H14B H 1.1369 0.2308 0.3812 0.081 Uiso 1 1 calc R . .
H14C H 1.2164 0.1430 0.3199 0.081 Uiso 1 1 calc R . .
C15 C 1.1263(10) 0.4303(11) 0.2871(5) 0.052(2) Uani 1 1 d . . .
H15A H 1.0713 0.5191 0.2612 0.078 Uiso 1 1 calc R . .
H15B H 1.2226 0.3687 0.2649 0.078 Uiso 1 1 calc R . .
H15C H 1.1433 0.4577 0.3259 0.078 Uiso 1 1 calc R . .
C16 C 0.6908(11) 0.5700(12) 0.4933(4) 0.051(2) Uani 1 1 d . . .
H16A H 0.5811 0.6292 0.5041 0.061 Uiso 1 1 calc R . .
C17 C 0.740(2) 0.4216(17) 0.5305(6) 0.102(5) Uani 1 1 d . . .
H17A H 0.7214 0.4375 0.5750 0.153 Uiso 1 1 calc R . .
H17B H 0.8463 0.3591 0.5200 0.153 Uiso 1 1 calc R . .
H17C H 0.6825 0.3735 0.5202 0.153 Uiso 1 1 calc R . .
C18 C 0.7663(11) 0.6512(11) 0.5137(5) 0.056(2) Uani 1 1 d . . .
H18A H 0.7350 0.7457 0.4899 0.084 Uiso 1 1 calc R . .
H18B H 0.8748 0.5928 0.5066 0.084 Uiso 1 1 calc R . .
H18C H 0.7383 0.6679 0.5580 0.084 Uiso 1 1 calc R . .
C19 C 0.4892(8) 0.7214(8) 0.2820(4) 0.0338(17) Uani 1 1 d . . .
H19A H 0.4943 0.6641 0.2469 0.041 Uiso 1 1 calc R . .
C20 C 0.3320(9) 0.7738(10) 0.3161(4) 0.049(2) Uani 1 1 d . . .
H20A H 0.3184 0.6886 0.3339 0.074 Uiso 1 1 calc R . .
H20B H 0.2571 0.8306 0.2868 0.074 Uiso 1 1 calc R . .
H20C H 0.3205 0.8358 0.3494 0.074 Uiso 1 1 calc R . .
C21 C 0.5102(11) 0.8540(10) 0.2534(5) 0.055(2) Uani 1 1 d . . .
H21A H 0.6100 0.8202 0.2313 0.082 Uiso 1 1 calc R . .
H21B H 0.4994 0.9166 0.2863 0.082 Uiso 1 1 calc R . .
H21C H 0.4347 0.9103 0.2242 0.082 Uiso 1 1 calc R . .
C22 C 0.5926(8) 0.3509(8) 0.1275(3) 0.0275(15) Uani 1 1 d . . .
C23 C 0.6415(8) 0.2009(8) 0.1225(3) 0.0303(16) Uani 1 1 d . . .
C24 C 0.5415(10) 0.1524(10) 0.1069(4) 0.045(2) Uani 1 1 d . . .
H24A H 0.5742 0.0504 0.1042 0.054 Uiso 1 1 calc R . .
C25 C 0.3968(10) 0.2512(12) 0.0955(5) 0.054(3) Uani 1 1 d . A .
C26 C 0.3488(9) 0.4009(11) 0.0997(4) 0.047(2) Uani 1 1 d . . .
H26A H 0.2493 0.4686 0.0918 0.056 Uiso 1 1 calc R . .
C27 C 0.4435(8) 0.4534(9) 0.1153(4) 0.0362(18) Uani 1 1 d . . .
C28 C 0.8026(9) 0.0882(8) 0.1326(4) 0.0341(17) Uani 1 1 d . . .
H28A H 0.8441 0.1336 0.1577 0.041 Uiso 1 1 calc R . .
C29 C 0.8157(11) -0.0533(9) 0.1675(4) 0.048(2) Uani 1 1 d . . .
H29A H 0.9210 -0.1202 0.1725 0.072 Uiso 1 1 calc R . .
H29B H 0.7747 -0.0997 0.1441 0.072 Uiso 1 1 calc R . .
H29C H 0.7599 -0.0310 0.2085 0.072 Uiso 1 1 calc R . .
C30 C 0.8958(9) 0.0565(10) 0.0695(4) 0.0417(19) Uani 1 1 d . . .
H30A H 0.9991 -0.0154 0.0757 0.062 Uiso 1 1 calc R . .
H30B H 0.8938 0.1476 0.0496 0.062 Uiso 1 1 calc R . .
H30C H 0.8540 0.0170 0.0429 0.062 Uiso 1 1 calc R . .
C31 C 0.2911(13) 0.1944(19) 0.0780(7) 0.100(6) Uani 1 1 d . . .
H31A H 0.2003 0.2896 0.0709 0.120 Uiso 0.49(3) 1 calc PR A 1
H31B H 0.3618 0.0888 0.0719 0.120 Uiso 0.51(3) 1 d PR A 2
C32A C 0.237(4) 0.132(5) 0.1197(13) 0.068(10) Uani 0.49(3) 1 d P A 1
H32A H 0.2020 0.1887 0.1569 0.103 Uiso 0.49(3) 1 calc PR A 1
H32B H 0.3140 0.0327 0.1299 0.103 Uiso 0.49(3) 1 calc PR A 1
H32C H 0.1531 0.1267 0.1046 0.103 Uiso 0.49(3) 1 calc PR A 1
C33A C 0.337(2) 0.139(3) 0.0092(9) 0.050(6) Uani 0.49(3) 1 d P A 1
H33A H 0.3644 0.2071 -0.0180 0.075 Uiso 0.49(3) 1 calc PR A 1
H33B H 0.2531 0.1347 -0.0062 0.075 Uiso 0.49(3) 1 calc PR A 1
H33C H 0.4229 0.0409 0.0096 0.075 Uiso 0.49(3) 1 calc PR A 1
C32 C 0.188(2) 0.181(2) 0.1386(12) 0.037(5) Uani 0.51(3) 1 d P A 2
H32D H 0.2498 0.1317 0.1730 0.055 Uiso 0.51(3) 1 calc PR A 2
H32E H 0.1380 0.1245 0.1297 0.055 Uiso 0.51(3) 1 calc PR A 2
H32F H 0.1125 0.2797 0.1499 0.055 Uiso 0.51(3) 1 calc PR A 2
C33 C 0.233(3) 0.235(2) 0.0260(8) 0.046(7) Uani 0.51(3) 1 d P A 2
H33D H 0.3112 0.2203 -0.0080 0.069 Uiso 0.51(3) 1 calc PR A 2
H33E H 0.1598 0.3388 0.0260 0.069 Uiso 0.51(3) 1 calc PR A 2
H33F H 0.1828 0.1759 0.0202 0.069 Uiso 0.51(3) 1 calc PR A 2
C34 C 0.3862(9) 0.6168(9) 0.1191(4) 0.041(2) Uani 1 1 d . . .
H34A H 0.4664 0.6320 0.1344 0.049 Uiso 1 1 calc R . .
C35 C 0.2456(10) 0.6854(11) 0.1650(5) 0.057(3) Uani 1 1 d . . .
H35A H 0.2667 0.6342 0.2061 0.086 Uiso 1 1 calc R . .
H35B H 0.1635 0.6760 0.1503 0.086 Uiso 1 1 calc R . .
H35C H 0.2171 0.7895 0.1679 0.086 Uiso 1 1 calc R . .
C36 C 0.3545(12) 0.6976(12) 0.0548(5) 0.069(3) Uani 1 1 d . . .
H36A H 0.4444 0.6542 0.0260 0.103 Uiso 1 1 calc R . .
H36B H 0.3261 0.8016 0.0580 0.103 Uiso 1 1 calc R . .
H36C H 0.2728 0.6886 0.0395 0.103 Uiso 1 1 calc R . .
C37 C 0.7682(8) 0.1407(8) 0.3104(4) 0.0331(17) Uani 1 1 d . . .
C38 C 0.862(2) 0.0186(15) 0.4403(6) 0.100(5) Uani 1 1 d . . .
H38A H 0.9654 -0.0046 0.4261 0.150 Uiso 1 1 calc R . .
H38B H 0.8595 -0.0514 0.4744 0.150 Uiso 1 1 calc R . .
H38C H 0.8094 0.1184 0.4548 0.150 Uiso 1 1 calc R . .
C39 C 0.5681(13) 0.0506(12) 0.4005(6) 0.072(3) Uani 1 1 d . . .
H39A H 0.5145 0.1501 0.4152 0.108 Uiso 1 1 calc R . .
H39B H 0.5641 -0.0199 0.4340 0.108 Uiso 1 1 calc R . .
H39C H 0.5214 0.0445 0.3651 0.108 Uiso 1 1 calc R . .
C40 C 0.8783(11) -0.1831(9) 0.3469(5) 0.056(3) Uani 1 1 d . . .
H40A H 0.9816 -0.2019 0.3344 0.084 Uiso 1 1 calc R . .
H40B H 0.8335 -0.1909 0.3112 0.084 Uiso 1 1 calc R . .
H40C H 0.8769 -0.2554 0.3801 0.084 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.0282(3) 0.0231(3) 0.0400(3) 0.0019(2) -0.00049(19) -0.0115(2)
Si1 0.0556(14) 0.0247(11) 0.0444(13) 0.0041(10) -0.0103(11) -0.0183(10)
N1 0.032(4) 0.020(3) 0.040(4) -0.002(3) -0.009(3) -0.008(3)
N2 0.038(4) 0.035(4) 0.067(5) -0.004(4) -0.010(4) -0.011(3)
C1 0.021(3) 0.018(3) 0.036(4) -0.003(3) -0.004(3) -0.007(3)
C2 0.024(3) 0.016(3) 0.041(4) 0.004(3) -0.007(3) -0.006(3)
C3 0.033(4) 0.023(4) 0.056(5) -0.001(3) 0.000(3) -0.018(3)
C4 0.034(4) 0.033(4) 0.055(5) 0.007(4) -0.008(4) -0.021(3)
C5 0.039(4) 0.030(4) 0.033(4) -0.004(3) -0.001(3) -0.015(3)
C6 0.021(3) 0.017(3) 0.039(4) -0.005(3) 0.000(3) -0.003(3)
C7 0.036(4) 0.017(3) 0.040(4) 0.002(3) -0.011(3) -0.014(3)
C8 0.034(4) 0.021(3) 0.044(4) -0.005(3) -0.009(3) -0.014(3)
C9 0.041(4) 0.031(4) 0.047(5) 0.004(4) -0.017(4) -0.019(4)
C10 0.046(5) 0.042(5) 0.038(4) 0.004(4) -0.005(4) -0.029(4)
C11 0.033(4) 0.034(4) 0.046(5) -0.003(4) -0.003(3) -0.016(3)
C12 0.030(4) 0.020(3) 0.049(5) -0.003(3) -0.005(3) -0.014(3)
C13 0.037(4) 0.029(4) 0.058(5) -0.009(4) -0.018(4) -0.008(3)
C14 0.047(5) 0.035(5) 0.066(6) -0.011(4) -0.024(5) -0.001(4)
C15 0.032(4) 0.055(6) 0.069(6) -0.020(5) 0.000(4) -0.017(4)
C16 0.048(5) 0.073(7) 0.040(5) 0.009(4) -0.010(4) -0.035(5)
C17 0.168(15) 0.110(11) 0.065(8) 0.034(8) -0.029(9) -0.099(12)
C18 0.060(6) 0.051(6) 0.059(6) -0.014(5) -0.006(5) -0.024(5)
C19 0.036(4) 0.030(4) 0.036(4) -0.008(3) 0.004(3) -0.015(3)
C20 0.034(5) 0.046(5) 0.051(5) -0.003(4) -0.004(4) -0.005(4)
C21 0.056(6) 0.031(5) 0.074(7) 0.014(4) -0.016(5) -0.020(4)
C22 0.030(4) 0.024(4) 0.030(4) -0.007(3) 0.003(3) -0.014(3)
C23 0.031(4) 0.032(4) 0.033(4) -0.010(3) 0.007(3) -0.018(3)
C24 0.044(5) 0.051(5) 0.056(5) -0.023(4) 0.011(4) -0.034(4)
C25 0.042(5) 0.080(7) 0.059(6) -0.044(5) 0.011(4) -0.038(5)
C26 0.023(4) 0.063(6) 0.052(5) -0.030(5) 0.001(4) -0.012(4)
C27 0.025(4) 0.043(5) 0.038(4) -0.018(4) 0.002(3) -0.010(3)
C28 0.038(4) 0.023(4) 0.040(4) -0.009(3) 0.002(3) -0.012(3)
C29 0.062(6) 0.028(4) 0.057(6) -0.003(4) 0.004(4) -0.026(4)
C30 0.034(4) 0.041(5) 0.041(5) -0.007(4) 0.006(3) -0.011(4)
C31 0.059(7) 0.182(16) 0.107(11) -0.101(11) 0.034(7) -0.086(9)
C32A 0.050(19) 0.13(3) 0.050(15) -0.025(16) 0.018(12) -0.06(2)
C33A 0.047(13) 0.053(14) 0.061(13) -0.015(10) -0.010(9) -0.028(11)
C32 0.025(11) 0.038(11) 0.053(15) 0.005(10) -0.003(10) -0.022(9)
C33 0.072(16) 0.049(13) 0.039(10) 0.003(8) -0.005(9) -0.047(12)
C34 0.027(4) 0.039(5) 0.045(5) -0.011(4) -0.003(3) -0.002(3)
C35 0.035(5) 0.055(6) 0.066(6) -0.024(5) 0.004(4) -0.004(4)
C36 0.056(6) 0.055(6) 0.065(7) 0.002(5) -0.011(5) 0.000(5)
C37 0.034(4) 0.022(4) 0.048(5) 0.005(3) -0.013(3) -0.016(3)
C38 0.195(17) 0.079(9) 0.073(8) 0.031(7) -0.066(10) -0.095(11)
C39 0.075(7) 0.047(6) 0.077(8) 0.009(5) 0.019(6) -0.023(5)
C40 0.061(6) 0.026(4) 0.072(7) -0.003(4) 0.009(5) -0.017(4)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C37 2.172(7) . ?
Sn1 C1 2.189(7) . ?
Si1 C38 1.838(11) . ?
Si1 C37 1.866(8) . ?
Si1 C40 1.878(9) . ?
Si1 C39 1.885(11) . ?
N1 N2 1.137(10) . ?
N1 C37 1.303(11) . ?
C1 C6 1.422(10) . ?
C1 C2 1.423(10) . ?
C2 C3 1.416(10) . ?
C2 C7 1.502(10) . ?
C3 C4 1.360(12) . ?
C4 C5 1.409(11) . ?
C5 C6 1.399(11) . ?
C6 C22 1.490(10) . ?
C7 C12 1.421(10) . ?
C7 C8 1.430(10) . ?
C8 C9 1.374(11) . ?
C8 C13 1.531(11) . ?
C9 C10 1.402(12) . ?
C10 C11 1.401(12) . ?
C10 C16 1.530(12) . ?
C11 C12 1.387(11) . ?
C12 C19 1.523(11) . ?
C13 C14 1.531(12) . ?
C13 C15 1.547(13) . ?
C16 C18 1.501(13) . ?
C16 C17 1.536(16) . ?
C19 C21 1.530(11) . ?
C19 C20 1.538(11) . ?
C22 C23 1.399(10) . ?
C22 C27 1.427(10) . ?
C23 C24 1.414(11) . ?
C23 C28 1.532(11) . ?
C24 C25 1.381(14) . ?
C25 C26 1.395(14) . ?
C25 C31 1.543(12) . ?
C26 C27 1.394(11) . ?
C27 C34 1.513(12) . ?
C28 C29 1.521(11) . ?
C28 C30 1.536(11) . ?
C31 C32A 1.26(3) . ?
C31 C33 1.29(2) . ?
C31 C33A 1.60(2) . ?
C31 C32 1.61(3) . ?
C34 C36 1.537(13) . ?
C34 C35 1.543(11) . ?

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
C37 Sn1 C1 97.1(3) . . ?
C38 Si1 C37 110.6(5) . . ?
C38 Si1 C40 107.9(6) . . ?
C37 Si1 C40 108.0(4) . . ?
C38 Si1 C39 111.4(7) . . ?
C37 Si1 C39 107.2(4) . . ?
C40 Si1 C39 111.7(5) . . ?
N2 N1 C37 179.6(9) . . ?
C6 C1 C2 119.1(6) . . ?
C6 C1 Sn1 123.3(5) . . ?
C2 C1 Sn1 117.1(5) . . ?
C3 C2 C1 119.1(7) . . ?
C3 C2 C7 124.4(7) . . ?
C1 C2 C7 116.4(6) . . ?
C4 C3 C2 120.9(7) . . ?
C3 C4 C5 121.0(7) . . ?
C6 C5 C4 119.9(7) . . ?
C5 C6 C1 119.8(7) . . ?
C5 C6 C22 121.2(7) . . ?
C1 C6 C22 118.7(6) . . ?
C12 C7 C8 118.9(7) . . ?
C12 C7 C2 118.9(6) . . ?
C8 C7 C2 122.1(7) . . ?
C9 C8 C7 119.4(7) . . ?
C9 C8 C13 120.3(7) . . ?
C7 C8 C13 120.4(7) . . ?
C8 C9 C10 122.8(7) . . ?
C11 C10 C9 117.0(8) . . ?
C11 C10 C16 121.4(8) . . ?
C9 C10 C16 121.6(7) . . ?
C12 C11 C10 122.9(8) . . ?
C11 C12 C7 119.0(7) . . ?
C11 C12 C19 119.8(7) . . ?
C7 C12 C19 121.0(7) . . ?
C8 C13 C14 113.6(8) . . ?
C8 C13 C15 110.0(6) . . ?
C14 C13 C15 109.8(7) . . ?
C18 C16 C10 113.0(8) . . ?
C18 C16 C17 109.7(9) . . ?
C10 C16 C17 112.4(9) . . ?
C12 C19 C21 111.1(7) . . ?
C12 C19 C20 114.7(7) . . ?
C21 C19 C20 109.7(7) . . ?
C23 C22 C27 119.7(7) . . ?
C23 C22 C6 122.0(6) . . ?
C27 C22 C6 118.3(6) . . ?
C22 C23 C24 119.5(7) . . ?
C22 C23 C28 121.2(6) . . ?
C24 C23 C28 119.3(7) . . ?
C25 C24 C23 121.0(8) . . ?
C24 C25 C26 119.4(8) . . ?
C24 C25 C31 119.5(10) . . ?
C26 C25 C31 121.1(10) . . ?
C27 C26 C25 121.5(8) . . ?
C26 C27 C22 118.9(7) . . ?
C26 C27 C34 119.5(7) . . ?
C22 C27 C34 121.6(7) . . ?
C29 C28 C23 113.6(7) . . ?
C29 C28 C30 110.9(7) . . ?
C23 C28 C30 109.1(6) . . ?
C32A C31 C33 117.9(18) . . ?
C32A C31 C25 119.3(18) . . ?
C33 C31 C25 121.2(15) . . ?
C32A C31 C33A 121(2) . . ?
C25 C31 C33A 110.7(10) . . ?
C33 C31 C32 117.7(14) . . ?
C25 C31 C32 109.8(12) . . ?
C33A C31 C32 138.2(13) . . ?
C27 C34 C36 111.2(7) . . ?
C27 C34 C35 112.7(8) . . ?
C36 C34 C35 109.8(7) . . ?
N1 C37 Si1 115.3(5) . . ?
N1 C37 Sn1 117.8(5) . . ?
Si1 C37 Sn1 126.9(4) . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         1.736
_refine_diff_density_min         -1.192
_refine_diff_density_rms         0.136

# Attachment '3_R1.cif'

data_dimer
_database_code_depnum_ccdc_archive 'CCDC 697286'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            stannylstannylene
_chemical_melting_point          ?
_chemical_formula_moiety         'C80 H116 Si2 Sn2, 3(C6 H6)'
_chemical_formula_sum            'C98 H134 Si2 Sn2'
_chemical_formula_weight         1605.61

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.628(2)
_cell_length_b                   41.255(7)
_cell_length_c                   17.126(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.001(4)
_cell_angle_gamma                90.00
_cell_volume                     8888(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    220(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3400
_exptl_absorpt_coefficient_mu    0.632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7860
_exptl_absorpt_correction_T_max  0.8840
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      220(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            46883
_diffrn_reflns_av_R_equivalents  0.1810
_diffrn_reflns_av_sigmaI/netI    0.2344
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.29
_diffrn_reflns_theta_max         25.05
_reflns_number_total             15721
_reflns_number_gt                6792
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0932P)^2^+24.7492P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15721
_refine_ls_number_parameters     883
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.2410
_refine_ls_R_factor_gt           0.1150
_refine_ls_wR_factor_ref         0.2678
_refine_ls_wR_factor_gt          0.2204
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.59621(8) 0.14065(2) 0.35611(5) 0.0487(3) Uani 1 1 d . . .
Sn2 Sn 0.61778(7) 0.13047(2) 0.52449(5) 0.0441(3) Uani 1 1 d . D .
Si1 Si 0.3049(3) 0.14178(10) 0.2944(2) 0.0616(11) Uani 1 1 d . . .
Si2 Si 0.9489(3) 0.07522(10) 0.6606(2) 0.0582(11) Uani 1 1 d . . .
C1 C 0.5373(10) 0.0914(3) 0.3279(6) 0.043(3) Uani 1 1 d . . .
C2 C 0.5859(10) 0.0737(4) 0.2738(7) 0.049(3) Uani 1 1 d . . .
C3 C 0.5489(12) 0.0426(4) 0.2566(8) 0.062(4) Uani 1 1 d . . .
H3A H 0.5825 0.0298 0.2207 0.074 Uiso 1 1 calc R . .
C4 C 0.4640(11) 0.0304(3) 0.2917(8) 0.056(4) Uani 1 1 d . . .
H4A H 0.4396 0.0093 0.2795 0.067 Uiso 1 1 calc R D .
C5 C 0.4151(11) 0.0484(3) 0.3435(8) 0.053(4) Uani 1 1 d . . .
H5A H 0.3567 0.0396 0.3666 0.064 Uiso 1 1 calc R . .
C6 C 0.4477(10) 0.0790(3) 0.3634(7) 0.038(3) Uani 1 1 d . . .
C7 C 0.6759(11) 0.0863(3) 0.2331(7) 0.047(3) Uani 1 1 d . C .
C8 C 0.6575(11) 0.1054(3) 0.1664(8) 0.054(4) Uani 1 1 d . . .
C9 C 0.7389(14) 0.1136(3) 0.1225(9) 0.071(4) Uani 1 1 d . . .
H9A H 0.7240 0.1252 0.0755 0.085 Uiso 1 1 calc R . .
C10 C 0.8405(16) 0.1054(4) 0.1455(10) 0.079(5) Uani 1 1 d . . .
C11 C 0.8618(12) 0.0873(4) 0.2095(9) 0.078(5) Uani 1 1 d . C .
H11A H 0.9325 0.0816 0.2254 0.093 Uiso 1 1 calc R . .
C12 C 0.7799(12) 0.0768(4) 0.2526(8) 0.069(4) Uani 1 1 d . . .
C13 C 0.3971(9) 0.1023(3) 0.4160(7) 0.041(3) Uani 1 1 d . D .
C14 C 0.3388(10) 0.0953(3) 0.4795(8) 0.047(3) Uani 1 1 d . . .
C15 C 0.3144(10) 0.1194(3) 0.5356(8) 0.052(3) Uani 1 1 d . D .
H15A H 0.2501 0.1160 0.5582 0.062 Uiso 1 1 calc R . .
C16 C 0.3680(9) 0.1460(3) 0.5613(7) 0.047(3) Uani 1 1 d . . .
C17 C 0.4613(10) 0.1577(3) 0.5219(7) 0.047(3) Uani 1 1 d . D .
H17A H 0.4780 0.1797 0.5423 0.056 Uiso 1 1 calc R . .
C18 C 0.4213(9) 0.1615(3) 0.4367(8) 0.049(3) Uani 1 1 d . . .
C19 C 0.5465(13) 0.1158(3) 0.1361(8) 0.068(4) Uani 1 1 d . . .
H19A H 0.5039 0.1175 0.1818 0.081 Uiso 1 1 calc R . .
C20 C 0.5413(13) 0.1485(4) 0.0948(10) 0.092(5) Uani 1 1 d . . .
H20A H 0.5714 0.1651 0.1304 0.138 Uiso 1 1 calc R D .
H20B H 0.4678 0.1538 0.0787 0.138 Uiso 1 1 calc R . .
H20C H 0.5814 0.1476 0.0491 0.138 Uiso 1 1 calc R . .
C21 C 0.4968(14) 0.0895(4) 0.0829(9) 0.094(6) Uani 1 1 d . . .
H21A H 0.4987 0.0691 0.1109 0.141 Uiso 1 1 calc R D .
H21B H 0.5361 0.0875 0.0370 0.141 Uiso 1 1 calc R . .
H21C H 0.4235 0.0952 0.0668 0.141 Uiso 1 1 calc R . .
C22 C 0.9287(17) 0.1138(5) 0.0932(14) 0.115(7) Uani 1 1 d D B .
H22 H 0.8871 0.1224 0.0461 0.138 Uiso 1 1 calc R A 1
C23 C 0.983(2) 0.1425(7) 0.1231(13) 0.192(14) Uani 1 1 d . B 1
H23A H 0.9319 0.1595 0.1300 0.288 Uiso 1 1 calc R B 1
H23B H 1.0325 0.1497 0.0862 0.288 Uiso 1 1 calc R B 1
H23C H 1.0223 0.1377 0.1730 0.288 Uiso 1 1 calc R B 1
C24 C 0.991(3) 0.0897(7) 0.060(2) 0.30(2) Uani 1 1 d D B 1
H24A H 0.9453 0.0722 0.0394 0.443 Uiso 1 1 calc R B 1
H24B H 1.0434 0.0813 0.0993 0.443 Uiso 1 1 calc R B 1
H24C H 1.0268 0.0991 0.0172 0.443 Uiso 1 1 calc R B 1
C25 C 0.8061(13) 0.0552(5) 0.3225(10) 0.098(6) Uani 1 1 d . C 1
H25A H 0.7427 0.0541 0.3525 0.118 Uiso 1 1 calc R C 1
C26 C 0.8984(16) 0.0690(7) 0.3768(11) 0.175(12) Uani 1 1 d . C 1
H26A H 0.9121 0.0549 0.4218 0.262 Uiso 1 1 calc R C 1
H26B H 0.8797 0.0904 0.3943 0.262 Uiso 1 1 calc R C 1
H26C H 0.9616 0.0704 0.3486 0.262 Uiso 1 1 calc R C 1
C27 C 0.8312(17) 0.0216(6) 0.2973(13) 0.149(10) Uani 1 1 d . C 1
H27A H 0.7717 0.0131 0.2637 0.223 Uiso 1 1 calc R C 1
H27B H 0.8438 0.0078 0.3431 0.223 Uiso 1 1 calc R C 1
H27C H 0.8942 0.0219 0.2687 0.223 Uiso 1 1 calc R C 1
C28 C 0.2917(11) 0.0621(3) 0.4902(8) 0.060(4) Uani 1 1 d . D 1
H28A H 0.3401 0.0456 0.4712 0.073 Uiso 1 1 calc R D 1
C29 C 0.2705(13) 0.0539(4) 0.5754(9) 0.083(5) Uani 1 1 d . D 1
H29A H 0.3367 0.0549 0.6086 0.125 Uiso 1 1 calc R D 1
H29B H 0.2410 0.0323 0.5773 0.125 Uiso 1 1 calc R D 1
H29C H 0.2206 0.0694 0.5938 0.125 Uiso 1 1 calc R D 1
C30 C 0.1848(11) 0.0602(4) 0.4410(9) 0.080(5) Uani 1 1 d . D 1
H30A H 0.1952 0.0645 0.3865 0.120 Uiso 1 1 calc R D 1
H30B H 0.1366 0.0762 0.4596 0.120 Uiso 1 1 calc R D 1
H30C H 0.1547 0.0388 0.4457 0.120 Uiso 1 1 calc R D 1
C31 C 0.3334(11) 0.1651(3) 0.6300(8) 0.058(4) Uani 1 1 d . D 1
H31A H 0.3270 0.1877 0.6113 0.069 Uiso 1 1 calc R D 1
C32 C 0.4206(13) 0.1656(4) 0.6950(8) 0.082(5) Uani 1 1 d . D 1
H32A H 0.3980 0.1781 0.7386 0.124 Uiso 1 1 calc R D 1
H32B H 0.4836 0.1754 0.6765 0.124 Uiso 1 1 calc R D 1
H32C H 0.4368 0.1436 0.7122 0.124 Uiso 1 1 calc R D 1
C33 C 0.2293(14) 0.1571(4) 0.6572(10) 0.100(6) Uani 1 1 d . D 1
H33A H 0.2157 0.1712 0.7006 0.150 Uiso 1 1 calc R D 1
H33B H 0.2291 0.1347 0.6742 0.150 Uiso 1 1 calc R D 1
H33C H 0.1744 0.1603 0.6146 0.150 Uiso 1 1 calc R D 1
C34 C 0.3957(11) 0.1972(3) 0.4102(8) 0.059(4) Uani 1 1 d . D 1
H34A H 0.3631 0.1963 0.3556 0.071 Uiso 1 1 calc R D 1
C35 C 0.4941(12) 0.2182(3) 0.4101(9) 0.079(5) Uani 1 1 d . D 1
H35A H 0.4738 0.2400 0.3933 0.119 Uiso 1 1 calc R D 1
H35B H 0.5417 0.2091 0.3743 0.119 Uiso 1 1 calc R D 1
H35C H 0.5299 0.2190 0.4625 0.119 Uiso 1 1 calc R D 1
C36 C 0.3148(13) 0.2131(3) 0.4592(10) 0.084(5) Uani 1 1 d . D 1
H36A H 0.3012 0.2351 0.4410 0.126 Uiso 1 1 calc R D 1
H36B H 0.3428 0.2136 0.5138 0.126 Uiso 1 1 calc R D 1
H36C H 0.2491 0.2008 0.4541 0.126 Uiso 1 1 calc R D 1
C37 C 0.3993(10) 0.1362(3) 0.3870(6) 0.042(3) Uani 1 1 d . D 1
C38 C 0.3480(13) 0.1720(4) 0.2247(8) 0.088(5) Uani 1 1 d . D 1
H38A H 0.2961 0.1732 0.1796 0.132 Uiso 1 1 calc R D 1
H38B H 0.4164 0.1658 0.2078 0.132 Uiso 1 1 calc R D 1
H38C H 0.3541 0.1931 0.2500 0.132 Uiso 1 1 calc R D 1
C39 C 0.1751(12) 0.1525(4) 0.3312(10) 0.094(6) Uani 1 1 d . D 1
H39A H 0.1223 0.1556 0.2871 0.141 Uiso 1 1 calc R D 1
H39B H 0.1827 0.1725 0.3612 0.141 Uiso 1 1 calc R D 1
H39C H 0.1527 0.1352 0.3643 0.141 Uiso 1 1 calc R D 1
C40 C 0.2802(11) 0.1033(3) 0.2380(8) 0.070(4) Uani 1 1 d . D 1
H40A H 0.2318 0.1075 0.1920 0.105 Uiso 1 1 calc R D 1
H40B H 0.2492 0.0874 0.2709 0.105 Uiso 1 1 calc R D 1
H40C H 0.3469 0.0951 0.2219 0.105 Uiso 1 1 calc R D 1
C41 C 0.7337(9) 0.1558(3) 0.6059(7) 0.049(3) Uani 1 1 d . D 1
C42 C 0.7790(10) 0.1870(3) 0.6045(7) 0.045(3) Uani 1 1 d . D 1
C43 C 0.8557(11) 0.1954(3) 0.6635(8) 0.054(4) Uani 1 1 d . D 1
H43A H 0.8874 0.2160 0.6614 0.064 Uiso 1 1 calc R D 1
C44 C 0.8868(11) 0.1762(3) 0.7225(8) 0.058(4) Uani 1 1 d . D 1
H44A H 0.9364 0.1834 0.7629 0.070 Uiso 1 1 calc R D 1
C45 C 0.8451(11) 0.1450(3) 0.7242(7) 0.052(4) Uani 1 1 d . D 1
H45A H 0.8664 0.1311 0.7660 0.062 Uiso 1 1 calc R D 1
C46 C 0.7719(9) 0.1345(3) 0.6639(6) 0.047(3) Uani 1 1 d . D 1
C47 C 0.7532(10) 0.2129(3) 0.5433(8) 0.047(3) Uani 1 1 d . D 1
C48 C 0.8006(11) 0.2123(3) 0.4725(8) 0.055(4) Uani 1 1 d . D 1
C49 C 0.7878(11) 0.2386(4) 0.4218(8) 0.059(4) Uani 1 1 d . D 1
H49A H 0.8172 0.2378 0.3732 0.070 Uiso 1 1 calc R D 1
C50 C 0.7344(12) 0.2650(3) 0.4409(9) 0.057(4) Uani 1 1 d . D 1
C51 C 0.6877(11) 0.2658(3) 0.5106(9) 0.060(4) Uani 1 1 d . D 1
H51A H 0.6487 0.2842 0.5229 0.072 Uiso 1 1 calc R D 1
C52 C 0.6966(11) 0.2402(3) 0.5632(8) 0.053(4) Uani 1 1 d . D 1
C53 C 0.7346(10) 0.0999(3) 0.6672(7) 0.039(3) Uani 1 1 d . D 1
C54 C 0.8144(11) 0.0755(3) 0.7006(7) 0.051(3) Uani 1 1 d . D 1
C55 C 0.7841(11) 0.0534(3) 0.7507(7) 0.052(4) Uani 1 1 d . D 1
C56 C 0.6755(11) 0.0527(3) 0.7758(7) 0.048(3) Uani 1 1 d . D 1
H56A H 0.6595 0.0369 0.8126 0.058 Uiso 1 1 calc R D 1
C57 C 0.5997(11) 0.0727(3) 0.7500(7) 0.050(3) Uani 1 1 d . D 1
C58 C 0.6208(10) 0.0979(3) 0.6894(7) 0.048(3) Uani 1 1 d . D 1
H58A H 0.5859 0.1191 0.6961 0.058 Uiso 1 1 calc R D 1
C59 C 0.8728(12) 0.1839(3) 0.4531(8) 0.064(4) Uani 1 1 d . D 1
H59A H 0.8480 0.1641 0.4788 0.076 Uiso 1 1 calc R D 1
C60 C 0.8748(12) 0.1771(4) 0.3666(8) 0.075(5) Uani 1 1 d . D 1
H60A H 0.8035 0.1720 0.3442 0.112 Uiso 1 1 calc R D 1
H60B H 0.9213 0.1588 0.3593 0.112 Uiso 1 1 calc R D 1
H60C H 0.9009 0.1960 0.3408 0.112 Uiso 1 1 calc R D 1
C61 C 0.9887(13) 0.1915(5) 0.4883(9) 0.102(6) Uani 1 1 d . D 1
H61A H 1.0354 0.1738 0.4762 0.153 Uiso 1 1 calc R D 1
H61B H 0.9897 0.1939 0.5447 0.153 Uiso 1 1 calc R D 1
H61C H 1.0129 0.2114 0.4658 0.153 Uiso 1 1 calc R D 1
C62 C 0.7280(13) 0.2947(3) 0.3867(9) 0.070(4) Uani 1 1 d . D 1
H62A H 0.7710 0.2897 0.3425 0.084 Uiso 1 1 calc R D 1
C63 C 0.6175(16) 0.3008(4) 0.3528(11) 0.119(7) Uani 1 1 d . D 1
H63A H 0.6169 0.3193 0.3178 0.178 Uiso 1 1 calc R D 1
H63B H 0.5726 0.3052 0.3946 0.178 Uiso 1 1 calc R D 1
H63C H 0.5910 0.2819 0.3237 0.178 Uiso 1 1 calc R D 1
C64 C 0.7729(16) 0.3239(4) 0.4248(9) 0.104(6) Uani 1 1 d . D 1
H64A H 0.7686 0.3417 0.3876 0.156 Uiso 1 1 calc R D 1
H64B H 0.8466 0.3201 0.4432 0.156 Uiso 1 1 calc R D 1
H64C H 0.7331 0.3294 0.4690 0.156 Uiso 1 1 calc R D 1
C65 C 0.6490(13) 0.2436(3) 0.6410(8) 0.064(4) Uani 1 1 d . D 1
H65A H 0.6571 0.2225 0.6681 0.077 Uiso 1 1 calc R D 1
C66 C 0.5316(13) 0.2515(3) 0.6321(9) 0.083(5) Uani 1 1 d . D 1
H66A H 0.5052 0.2530 0.6835 0.125 Uiso 1 1 calc R D 1
H66B H 0.4937 0.2346 0.6020 0.125 Uiso 1 1 calc R D 1
H66C H 0.5207 0.2721 0.6051 0.125 Uiso 1 1 calc R D 1
C67 C 0.7074(13) 0.2683(4) 0.6927(9) 0.082(5) Uani 1 1 d . D 1
H67A H 0.7823 0.2628 0.6992 0.123 Uiso 1 1 calc R D 1
H67B H 0.6789 0.2686 0.7434 0.123 Uiso 1 1 calc R D 1
H67C H 0.6988 0.2896 0.6687 0.123 Uiso 1 1 calc R D 1
C68 C 0.8597(11) 0.0285(3) 0.7887(8) 0.064(4) Uani 1 1 d . D 1
H68A H 0.9285 0.0315 0.7661 0.077 Uiso 1 1 calc R D 1
C69 C 0.8246(13) -0.0059(4) 0.7706(10) 0.090(5) Uani 1 1 d . D 1
H69A H 0.8754 -0.0209 0.7965 0.135 Uiso 1 1 calc R D 1
H69B H 0.8206 -0.0095 0.7144 0.135 Uiso 1 1 calc R D 1
H69C H 0.7552 -0.0095 0.7892 0.135 Uiso 1 1 calc R D 1
C70 C 0.8791(12) 0.0353(4) 0.8765(8) 0.086(5) Uani 1 1 d . D 1
H70A H 0.9031 0.0574 0.8845 0.130 Uiso 1 1 calc R D 1
H70B H 0.9330 0.0205 0.8996 0.130 Uiso 1 1 calc R D 1
H70C H 0.8136 0.0321 0.9011 0.130 Uiso 1 1 calc R D 1
C71 C 0.4960(12) 0.0761(3) 0.7873(8) 0.064(4) Uani 1 1 d . D 1
H71A H 0.4456 0.0864 0.7471 0.077 Uiso 1 1 calc R D 1
C72 C 0.4476(14) 0.0457(4) 0.8074(12) 0.117(7) Uani 1 1 d . D 1
H72A H 0.4409 0.0317 0.7618 0.176 Uiso 1 1 calc R D 1
H72B H 0.3778 0.0498 0.8248 0.176 Uiso 1 1 calc R D 1
H72C H 0.4919 0.0352 0.8492 0.176 Uiso 1 1 calc R D 1
C73 C 0.5095(15) 0.0999(5) 0.8544(9) 0.110(6) Uani 1 1 d . D 1
H73A H 0.4424 0.1024 0.8774 0.165 Uiso 1 1 calc R D 1
H73B H 0.5318 0.1207 0.8352 0.165 Uiso 1 1 calc R D 1
H73C H 0.5629 0.0919 0.8938 0.165 Uiso 1 1 calc R D 1
C74 C 0.6454(11) 0.0551(3) 0.5797(8) 0.054(4) Uani 1 1 d . D 1
H74A H 0.6877 0.0427 0.6208 0.064 Uiso 1 1 calc R D 1
C75 C 0.5374(12) 0.0402(3) 0.5693(8) 0.075(5) Uani 1 1 d . D 1
H75A H 0.5435 0.0178 0.5531 0.113 Uiso 1 1 calc R D 1
H75B H 0.4937 0.0521 0.5296 0.113 Uiso 1 1 calc R D 1
H75C H 0.5049 0.0411 0.6185 0.113 Uiso 1 1 calc R D 1
C76 C 0.6986(13) 0.0513(3) 0.5042(8) 0.073(5) Uani 1 1 d . D 1
H76A H 0.6978 0.0286 0.4892 0.109 Uiso 1 1 calc R D 1
H76B H 0.7715 0.0588 0.5121 0.109 Uiso 1 1 calc R D 1
H76C H 0.6604 0.0639 0.4632 0.109 Uiso 1 1 calc R D 1
C77 C 0.6465(10) 0.0903(3) 0.6056(7) 0.047(3) Uani 1 1 d . D 1
C78 C 0.9655(11) 0.0354(3) 0.6113(9) 0.074(4) Uani 1 1 d . D 1
H78A H 0.9074 0.0322 0.5711 0.111 Uiso 1 1 calc R D 1
H78B H 0.9653 0.0181 0.6497 0.111 Uiso 1 1 calc R D 1
H78C H 1.0324 0.0352 0.5874 0.111 Uiso 1 1 calc R D 1
C79 C 1.0602(11) 0.0820(4) 0.7391(9) 0.079(5) Uani 1 1 d . D 1
H79A H 1.0504 0.1028 0.7642 0.118 Uiso 1 1 calc R D 1
H79B H 1.1275 0.0820 0.7158 0.118 Uiso 1 1 calc R D 1
H79C H 1.0601 0.0649 0.7778 0.118 Uiso 1 1 calc R D 1
C80 C 0.9625(11) 0.1062(3) 0.5847(8) 0.066(4) Uani 1 1 d . D 1
H80A H 0.9060 0.1035 0.5430 0.100 Uiso 1 1 calc R D 1
H80B H 1.0308 0.1037 0.5635 0.100 Uiso 1 1 calc R D 1
H80C H 0.9578 0.1276 0.6076 0.100 Uiso 1 1 calc R D 1
C81 C 0.258(2) 0.0371(5) 0.0112(16) 0.131(8) Uani 1 1 d . E 1
H81A H 0.2562 0.0571 0.0371 0.157 Uiso 1 1 calc R E 1
C82 C 0.183(2) 0.0294(7) -0.0433(15) 0.141(9) Uani 1 1 d . E 1
H82A H 0.1270 0.0441 -0.0561 0.169 Uiso 1 1 calc R E 1
C83 C 0.184(2) 0.0001(8) -0.0822(15) 0.142(9) Uani 1 1 d . E 1
H83A H 0.1266 -0.0059 -0.1176 0.170 Uiso 1 1 calc R E 1
C84 C 0.266(2) -0.0197(7) -0.0701(15) 0.134(9) Uani 1 1 d . E 1
H84A H 0.2697 -0.0391 -0.0986 0.161 Uiso 1 1 calc R E 1
C85 C 0.3463(17) -0.0111(4) -0.0146(13) 0.102(6) Uani 1 1 d . E 1
H85A H 0.4070 -0.0243 -0.0078 0.122 Uiso 1 1 calc R E 1
C86 C 0.3419(10) 0.0157(2) 0.0309(6) 0.109(7) Uani 1 1 d . E 1
H86A H 0.3925 0.0196 0.0735 0.131 Uiso 1 1 calc R E 1
C87 C 1.1807(10) 0.2562(2) 0.6458(6) 0.36(4) Uani 1 1 d R E 1
H87A H 1.2149 0.2575 0.5993 0.435 Uiso 1 1 calc R E 1
C88 C 1.2315(10) 0.2416(2) 0.7118(6) 0.40(5) Uani 1 1 d R E 1
H88A H 1.3002 0.2329 0.7100 0.483 Uiso 1 1 calc R E 1
C89 C 1.1809(10) 0.2396(2) 0.7806(6) 0.27(2) Uani 1 1 d R E 1
H89A H 1.2153 0.2297 0.8252 0.327 Uiso 1 1 calc R E 1
C90 C 1.0794(10) 0.2524(2) 0.7833(6) 0.54(8) Uani 1 1 d R E 1
H90A H 1.0452 0.2511 0.8298 0.652 Uiso 1 1 calc R E 1
C91 C 1.0285(10) 0.2671(2) 0.7173(6) 0.39(5) Uani 1 1 d R E 1
H91A H 0.9599 0.2757 0.7191 0.474 Uiso 1 1 calc R E 1
C92 C 1.0792(10) 0.2690(2) 0.6485(6) 0.27(2) Uani 1 1 d R E 1
H92A H 1.0448 0.2789 0.6039 0.320 Uiso 1 1 calc R E 1
C93 C 0.1024(10) 0.1872(2) -0.0525(6) 0.36(4) Uani 1 1 d R E 1
H93A H 0.0383 0.1977 -0.0439 0.427 Uiso 1 1 calc R E 1
C94 C 0.1990(10) 0.2014(2) -0.0265(6) 0.38(4) Uani 1 1 d R E 1
H94A H 0.2003 0.2214 -0.0004 0.450 Uiso 1 1 calc R E 1
C95 C 0.2937(10) 0.1859(2) -0.0391(6) 0.33(4) Uani 1 1 d R E 1
H95A H 0.3590 0.1954 -0.0215 0.396 Uiso 1 1 calc R E 1
C96 C 0.2918(10) 0.1562(2) -0.0777(6) 0.39(4) Uani 1 1 d R E 1
H96A H 0.3558 0.1457 -0.0862 0.463 Uiso 1 1 calc R E 1
C97 C 0.1951(10) 0.1421(2) -0.1036(6) 0.43(5) Uani 1 1 d R E 1
H97A H 0.1938 0.1220 -0.1297 0.519 Uiso 1 1 calc R E 1
C98 C 0.1004(10) 0.1576(2) -0.0910(6) 0.28(2) Uani 1 1 d R E 1
H98A H 0.0351 0.1480 -0.1086 0.331 Uiso 1 1 calc R E 1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.0536(6) 0.0491(5) 0.0431(6) 0.0017(4) 0.0023(4) -0.0021(5)
Sn2 0.0473(6) 0.0461(5) 0.0384(5) 0.0010(4) 0.0013(4) 0.0027(4)
Si1 0.057(3) 0.070(3) 0.055(3) -0.003(2) -0.013(2) 0.013(2)
Si2 0.047(3) 0.064(3) 0.063(3) 0.010(2) 0.001(2) 0.006(2)
C1 0.046(8) 0.062(8) 0.019(7) 0.001(6) -0.004(6) 0.002(7)
C2 0.040(9) 0.082(10) 0.026(7) 0.003(7) 0.006(6) -0.001(7)
C3 0.058(11) 0.083(11) 0.045(9) -0.013(8) 0.005(8) 0.004(9)
C4 0.064(10) 0.040(8) 0.066(10) -0.017(7) 0.012(8) -0.007(7)
C5 0.054(9) 0.038(8) 0.068(10) -0.005(7) 0.009(7) 0.000(7)
C6 0.043(8) 0.031(7) 0.039(7) -0.004(6) -0.002(6) 0.008(6)
C7 0.055(10) 0.051(8) 0.036(8) 0.001(6) 0.008(7) 0.013(7)
C8 0.048(10) 0.044(8) 0.071(10) -0.007(7) 0.017(8) 0.000(7)
C9 0.069(12) 0.068(10) 0.078(12) 0.010(8) 0.023(10) 0.004(9)
C10 0.091(15) 0.076(11) 0.071(13) -0.003(9) 0.020(11) -0.020(10)
C11 0.048(10) 0.122(14) 0.064(11) -0.002(10) 0.010(9) 0.001(9)
C12 0.060(11) 0.110(13) 0.041(9) 0.013(8) 0.019(8) 0.013(9)
C13 0.033(8) 0.049(8) 0.039(8) 0.004(6) -0.007(6) 0.007(6)
C14 0.042(8) 0.045(8) 0.054(9) -0.008(7) 0.005(7) 0.001(6)
C15 0.044(9) 0.051(8) 0.062(9) -0.006(7) 0.008(7) -0.002(7)
C16 0.036(8) 0.058(9) 0.047(8) 0.002(7) 0.007(6) 0.000(7)
C17 0.040(8) 0.053(8) 0.047(8) -0.004(6) -0.001(6) 0.014(6)
C18 0.029(8) 0.058(9) 0.059(9) 0.011(7) 0.001(6) 0.003(6)
C19 0.091(13) 0.059(9) 0.057(10) -0.011(8) 0.026(9) -0.002(8)
C20 0.097(14) 0.075(12) 0.107(14) 0.032(10) 0.022(11) 0.005(10)
C21 0.101(15) 0.102(13) 0.077(12) -0.004(10) -0.011(10) 0.013(11)
C22 0.098(17) 0.101(15) 0.15(2) 0.017(14) 0.037(15) -0.030(13)
C23 0.15(2) 0.32(4) 0.106(18) 0.00(2) 0.031(16) -0.12(3)
C24 0.32(5) 0.26(4) 0.35(5) -0.10(4) 0.29(4) -0.08(3)
C25 0.039(11) 0.168(19) 0.086(13) 0.036(13) -0.001(9) 0.020(11)
C26 0.082(17) 0.37(4) 0.074(14) 0.053(19) -0.010(12) 0.00(2)
C27 0.12(2) 0.17(2) 0.15(2) 0.098(18) 0.042(15) 0.083(17)
C28 0.063(11) 0.072(10) 0.049(9) -0.021(7) 0.020(7) 0.006(8)
C29 0.088(13) 0.072(11) 0.091(13) -0.019(9) 0.017(10) -0.006(9)
C30 0.054(11) 0.079(11) 0.106(13) -0.019(9) 0.006(9) -0.021(8)
C31 0.060(10) 0.059(9) 0.054(9) -0.004(7) 0.003(8) 0.006(7)
C32 0.111(15) 0.088(12) 0.046(9) -0.025(8) -0.006(9) 0.032(10)
C33 0.108(15) 0.064(10) 0.137(16) -0.059(11) 0.064(13) -0.030(10)
C34 0.061(10) 0.047(8) 0.068(10) 0.005(7) -0.011(8) -0.001(7)
C35 0.093(13) 0.044(9) 0.096(12) -0.011(8) -0.014(10) -0.001(8)
C36 0.085(13) 0.053(9) 0.112(14) 0.005(9) -0.002(10) 0.026(9)
C37 0.051(8) 0.040(8) 0.034(7) -0.014(6) -0.006(6) 0.001(6)
C38 0.104(14) 0.107(13) 0.048(10) -0.001(9) -0.019(9) 0.028(10)
C39 0.054(11) 0.095(12) 0.127(15) -0.022(11) -0.023(10) 0.025(9)
C40 0.068(11) 0.084(11) 0.054(9) -0.009(8) -0.015(8) 0.006(8)
C41 0.033(8) 0.086(10) 0.027(7) -0.008(7) -0.002(6) 0.007(7)
C42 0.039(8) 0.036(7) 0.061(9) -0.007(7) 0.004(7) 0.003(6)
C43 0.055(10) 0.042(8) 0.063(9) 0.006(7) 0.001(8) -0.001(7)
C44 0.074(11) 0.041(8) 0.057(9) 0.002(7) -0.009(8) 0.003(7)
C45 0.079(10) 0.049(8) 0.027(7) 0.012(6) 0.005(7) 0.014(7)
C46 0.042(8) 0.073(10) 0.025(7) -0.008(6) 0.003(6) 0.006(7)
C47 0.048(9) 0.042(8) 0.050(9) -0.007(7) 0.002(7) 0.005(6)
C48 0.057(10) 0.052(9) 0.056(10) -0.006(7) 0.004(7) 0.000(7)
C49 0.064(11) 0.066(10) 0.046(9) 0.001(8) 0.004(7) -0.005(8)
C50 0.062(10) 0.050(9) 0.059(10) 0.002(8) 0.004(8) -0.012(8)
C51 0.064(10) 0.045(8) 0.069(11) 0.004(8) -0.005(8) 0.000(7)
C52 0.060(10) 0.047(8) 0.049(9) 0.002(7) -0.005(7) -0.004(7)
C53 0.053(9) 0.025(6) 0.039(7) -0.001(5) 0.009(6) 0.002(6)
C54 0.058(9) 0.053(8) 0.039(8) 0.001(7) -0.008(7) 0.000(7)
C55 0.065(11) 0.051(8) 0.040(8) 0.007(7) 0.005(7) 0.006(7)
C56 0.063(10) 0.042(8) 0.042(8) 0.008(6) 0.010(7) -0.003(7)
C57 0.061(10) 0.055(9) 0.035(8) 0.006(6) 0.004(7) 0.003(7)
C58 0.042(9) 0.068(9) 0.036(8) 0.007(7) 0.004(6) 0.008(7)
C59 0.074(12) 0.059(9) 0.059(10) 0.010(7) 0.018(8) 0.013(8)
C60 0.071(11) 0.078(11) 0.080(12) -0.020(9) 0.034(9) 0.010(8)
C61 0.058(12) 0.158(18) 0.088(13) 0.007(12) -0.013(10) 0.009(11)
C62 0.082(12) 0.050(9) 0.078(11) 0.011(8) 0.004(9) 0.003(8)
C63 0.132(19) 0.091(13) 0.129(17) 0.043(12) -0.011(14) 0.025(13)
C64 0.16(2) 0.063(11) 0.085(13) 0.008(10) 0.009(12) -0.039(12)
C65 0.078(12) 0.049(9) 0.066(11) 0.005(8) 0.008(9) 0.001(8)
C66 0.096(15) 0.062(10) 0.092(13) -0.015(9) 0.011(10) 0.004(9)
C67 0.083(13) 0.092(12) 0.070(11) -0.009(9) -0.001(9) 0.001(10)
C68 0.047(9) 0.069(10) 0.076(11) 0.012(8) -0.007(8) -0.006(7)
C69 0.089(14) 0.080(12) 0.101(14) 0.009(10) 0.002(10) 0.003(10)
C70 0.068(12) 0.129(14) 0.058(11) 0.024(10) -0.018(8) 0.004(10)
C71 0.086(12) 0.045(8) 0.065(10) 0.002(7) 0.022(9) -0.002(8)
C72 0.102(16) 0.077(13) 0.18(2) -0.012(13) 0.070(14) 0.002(11)
C73 0.110(16) 0.152(18) 0.073(13) -0.028(12) 0.038(11) -0.008(13)
C74 0.063(10) 0.049(8) 0.048(9) 0.010(7) -0.001(7) 0.003(7)
C75 0.101(14) 0.062(10) 0.058(10) 0.007(8) -0.020(9) -0.012(9)
C76 0.109(14) 0.050(9) 0.058(10) -0.015(7) 0.002(9) 0.018(8)
C77 0.047(9) 0.041(8) 0.051(9) 0.006(6) -0.003(6) 0.007(6)
C78 0.058(10) 0.078(11) 0.086(12) 0.010(9) 0.014(8) 0.008(8)
C79 0.043(10) 0.095(12) 0.094(12) 0.021(9) -0.017(8) 0.006(8)
C80 0.061(10) 0.069(10) 0.071(10) 0.005(8) 0.018(8) 0.008(8)
C81 0.13(2) 0.081(15) 0.19(3) -0.021(15) 0.021(19) -0.001(14)
C82 0.12(2) 0.16(2) 0.14(2) -0.001(18) -0.032(17) 0.002(18)
C83 0.10(2) 0.17(3) 0.15(2) -0.06(2) 0.010(17) -0.015(19)
C84 0.11(2) 0.17(3) 0.13(2) -0.044(18) 0.043(17) -0.013(19)
C85 0.096(17) 0.081(13) 0.132(18) -0.001(12) 0.027(14) 0.009(11)
C86 0.118(19) 0.098(16) 0.109(16) -0.012(13) 0.005(13) -0.030(14)
C87 0.44(8) 0.12(3) 0.58(9) -0.09(5) 0.30(7) 0.04(4)
C88 0.49(9) 0.06(2) 0.69(13) -0.04(4) 0.22(8) 0.04(3)
C89 0.26(6) 0.22(4) 0.34(6) -0.16(4) 0.02(5) -0.06(4)
C90 0.19(5) 0.53(11) 0.92(16) -0.57(12) 0.12(8) -0.11(6)
C91 0.32(6) 0.30(5) 0.62(10) -0.30(6) 0.33(7) -0.22(4)
C92 0.35(6) 0.16(3) 0.31(5) -0.05(3) 0.17(4) 0.01(3)
C93 0.43(9) 0.29(6) 0.37(7) -0.10(5) 0.19(6) -0.13(6)
C94 0.37(9) 0.27(6) 0.49(10) -0.04(6) 0.07(8) -0.11(6)
C95 0.28(6) 0.25(6) 0.43(9) 0.07(5) -0.10(6) 0.04(4)
C96 0.39(9) 0.30(7) 0.43(8) 0.11(6) -0.15(7) 0.08(6)
C97 0.15(4) 0.87(15) 0.27(5) -0.14(7) -0.04(4) -0.03(6)
C98 0.25(5) 0.39(7) 0.19(4) 0.02(4) 0.00(3) -0.03(5)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C1 2.201(12) . ?
Sn1 C37 2.594(13) . ?
Sn1 Sn2 2.9034(13) . ?
Sn2 C77 2.171(11) . ?
Sn2 C41 2.197(12) . ?
Sn2 C17 2.270(11) . ?
Si1 C38 1.842(16) . ?
Si1 C39 1.860(16) . ?
Si1 C40 1.869(13) . ?
Si1 C37 1.913(11) . ?
Si2 C80 1.841(13) . ?
Si2 C78 1.868(14) . ?
Si2 C79 1.880(13) . ?
Si2 C54 1.886(14) . ?
C1 C2 1.366(16) . ?
C1 C6 1.426(16) . ?
C2 C3 1.391(18) . ?
C2 C7 1.479(17) . ?
C3 C4 1.369(18) . ?
C4 C5 1.349(16) . ?
C5 C6 1.360(15) . ?
C6 C13 1.499(16) . ?
C7 C12 1.384(18) . ?
C7 C8 1.392(17) . ?
C8 C9 1.367(18) . ?
C8 C19 1.513(19) . ?
C9 C10 1.35(2) . ?
C10 C11 1.33(2) . ?
C10 C22 1.53(2) . ?
C11 C12 1.392(19) . ?
C12 C25 1.50(2) . ?
C13 C14 1.396(16) . ?
C13 C37 1.482(16) . ?
C14 C15 1.436(16) . ?
C14 C28 1.509(18) . ?
C15 C16 1.343(16) . ?
C16 C17 1.489(17) . ?
C16 C31 1.511(17) . ?
C17 C18 1.510(16) . ?
C18 C37 1.362(16) . ?
C18 C34 1.566(17) . ?
C19 C21 1.517(19) . ?
C19 C20 1.523(19) . ?
C22 C24 1.419(17) . ?
C22 C23 1.44(3) . ?
C25 C27 1.50(3) . ?
C25 C26 1.54(2) . ?
C28 C30 1.530(18) . ?
C28 C29 1.543(18) . ?
C31 C33 1.469(19) . ?
C31 C32 1.497(18) . ?
C34 C35 1.516(18) . ?
C34 C36 1.526(19) . ?
C41 C46 1.382(16) . ?
C41 C42 1.408(16) . ?
C42 C43 1.382(16) . ?
C42 C47 1.512(16) . ?
C43 C44 1.318(16) . ?
C44 C45 1.389(16) . ?
C45 C46 1.394(16) . ?
C46 C53 1.506(16) . ?
C47 C52 1.393(17) . ?
C47 C48 1.399(17) . ?
C48 C49 1.390(17) . ?
C48 C59 1.537(18) . ?
C49 C50 1.339(18) . ?
C50 C51 1.377(18) . ?
C50 C62 1.534(18) . ?
C51 C52 1.384(17) . ?
C52 C65 1.517(18) . ?
C53 C54 1.502(16) . ?
C53 C77 1.519(16) . ?
C53 C58 1.521(16) . ?
C54 C55 1.330(16) . ?
C55 C56 1.472(18) . ?
C55 C68 1.511(17) . ?
C56 C57 1.313(16) . ?
C57 C58 1.509(16) . ?
C57 C71 1.512(18) . ?
C58 C77 1.532(16) . ?
C59 C60 1.510(17) . ?
C59 C61 1.566(19) . ?
C62 C64 1.464(19) . ?
C62 C63 1.49(2) . ?
C65 C67 1.500(18) . ?
C65 C66 1.51(2) . ?
C68 C69 1.510(18) . ?
C68 C70 1.528(18) . ?
C71 C72 1.452(19) . ?
C71 C73 1.510(19) . ?
C74 C75 1.493(18) . ?
C74 C76 1.516(17) . ?
C74 C77 1.518(16) . ?
C81 C82 1.31(3) . ?
C81 C86 1.39(2) . ?
C82 C83 1.38(3) . ?
C83 C84 1.32(3) . ?
C84 C85 1.37(3) . ?
C85 C86 1.35(2) . ?
C87 C88 1.3900 . ?
C87 C92 1.3901 . ?
C88 C89 1.3901 . ?
C89 C90 1.3900 . ?
C90 C91 1.3900 . ?
C91 C92 1.3900 . ?
C93 C98 1.3897 . ?
C93 C94 1.3900 . ?
C94 C95 1.3900 . ?
C95 C96 1.3898 . ?
C96 C97 1.3900 . ?
C97 C98 1.3900 . ?

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
C1 Sn1 C37 70.6(4) . . ?
C1 Sn1 Sn2 94.9(3) . . ?
C37 Sn1 Sn2 78.2(2) . . ?
C77 Sn2 C41 83.8(5) . . ?
C77 Sn2 C17 119.1(5) . . ?
C41 Sn2 C17 107.9(5) . . ?
C77 Sn2 Sn1 137.9(3) . . ?
C41 Sn2 Sn1 124.2(3) . . ?
C17 Sn2 Sn1 84.4(3) . . ?
C38 Si1 C39 112.1(8) . . ?
C38 Si1 C40 106.6(7) . . ?
C39 Si1 C40 105.4(7) . . ?
C38 Si1 C37 114.9(6) . . ?
C39 Si1 C37 104.6(7) . . ?
C40 Si1 C37 112.9(6) . . ?
C80 Si2 C78 105.6(7) . . ?
C80 Si2 C79 106.9(7) . . ?
C78 Si2 C79 110.4(7) . . ?
C80 Si2 C54 113.3(6) . . ?
C78 Si2 C54 108.0(6) . . ?
C79 Si2 C54 112.4(6) . . ?
C2 C1 C6 121.1(11) . . ?
C2 C1 Sn1 118.6(10) . . ?
C6 C1 Sn1 120.2(9) . . ?
C1 C2 C3 118.4(12) . . ?
C1 C2 C7 122.7(13) . . ?
C3 C2 C7 118.8(12) . . ?
C4 C3 C2 120.5(13) . . ?
C5 C4 C3 120.4(13) . . ?
C4 C5 C6 122.1(13) . . ?
C5 C6 C1 117.4(11) . . ?
C5 C6 C13 127.6(12) . . ?
C1 C6 C13 114.9(10) . . ?
C12 C7 C8 116.5(13) . . ?
C12 C7 C2 122.6(12) . . ?
C8 C7 C2 120.4(12) . . ?
C9 C8 C7 120.8(14) . . ?
C9 C8 C19 117.4(14) . . ?
C7 C8 C19 121.7(13) . . ?
C10 C9 C8 121.1(16) . . ?
C11 C10 C9 120.0(16) . . ?
C11 C10 C22 120.1(19) . . ?
C9 C10 C22 119.6(17) . . ?
C10 C11 C12 120.2(16) . . ?
C7 C12 C11 121.2(14) . . ?
C7 C12 C25 119.9(13) . . ?
C11 C12 C25 118.9(15) . . ?
C14 C13 C37 118.9(11) . . ?
C14 C13 C6 128.0(11) . . ?
C37 C13 C6 112.5(10) . . ?
C13 C14 C15 122.4(12) . . ?
C13 C14 C28 121.6(11) . . ?
C15 C14 C28 115.9(12) . . ?
C16 C15 C14 130.9(13) . . ?
C15 C16 C17 120.8(12) . . ?
C15 C16 C31 120.6(12) . . ?
C17 C16 C31 118.6(11) . . ?
C16 C17 C18 105.1(10) . . ?
C16 C17 Sn2 123.5(8) . . ?
C18 C17 Sn2 106.8(8) . . ?
C37 C18 C17 123.8(11) . . ?
C37 C18 C34 121.1(11) . . ?
C17 C18 C34 114.9(11) . . ?
C8 C19 C21 109.1(12) . . ?
C8 C19 C20 114.3(13) . . ?
C21 C19 C20 110.8(13) . . ?
C24 C22 C23 117(2) . . ?
C24 C22 C10 122.5(18) . . ?
C23 C22 C10 109.2(19) . . ?
C27 C25 C12 110.9(15) . . ?
C27 C25 C26 110.5(17) . . ?
C12 C25 C26 111.5(17) . . ?
C14 C28 C30 108.5(12) . . ?
C14 C28 C29 114.7(11) . . ?
C30 C28 C29 107.0(12) . . ?
C33 C31 C32 112.8(14) . . ?
C33 C31 C16 117.3(12) . . ?
C32 C31 C16 110.1(11) . . ?
C35 C34 C36 110.1(12) . . ?
C35 C34 C18 112.9(11) . . ?
C36 C34 C18 112.1(11) . . ?
C18 C37 C13 121.5(10) . . ?
C18 C37 Si1 120.2(9) . . ?
C13 C37 Si1 111.3(8) . . ?
C18 C37 Sn1 85.7(8) . . ?
C13 C37 Sn1 100.4(7) . . ?
Si1 C37 Sn1 111.2(5) . . ?
C46 C41 C42 118.5(11) . . ?
C46 C41 Sn2 108.9(9) . . ?
C42 C41 Sn2 132.3(9) . . ?
C43 C42 C41 118.5(11) . . ?
C43 C42 C47 115.0(11) . . ?
C41 C42 C47 126.4(11) . . ?
C44 C43 C42 123.4(12) . . ?
C43 C44 C45 119.0(12) . . ?
C44 C45 C46 120.1(11) . . ?
C41 C46 C45 120.0(12) . . ?
C41 C46 C53 122.7(11) . . ?
C45 C46 C53 117.2(10) . . ?
C52 C47 C48 119.5(12) . . ?
C52 C47 C42 119.1(12) . . ?
C48 C47 C42 120.4(11) . . ?
C49 C48 C47 119.6(13) . . ?
C49 C48 C59 119.9(13) . . ?
C47 C48 C59 120.4(12) . . ?
C50 C49 C48 121.1(14) . . ?
C49 C50 C51 119.6(13) . . ?
C49 C50 C62 120.1(14) . . ?
C51 C50 C62 120.3(14) . . ?
C50 C51 C52 122.0(14) . . ?
C51 C52 C47 118.2(13) . . ?
C51 C52 C65 118.9(13) . . ?
C47 C52 C65 122.8(12) . . ?
C54 C53 C46 116.7(10) . . ?
C54 C53 C77 121.1(9) . . ?
C46 C53 C77 115.6(9) . . ?
C54 C53 C58 119.1(10) . . ?
C46 C53 C58 111.4(10) . . ?
C77 C53 C58 60.5(8) . . ?
C55 C54 C53 118.9(12) . . ?
C55 C54 Si2 123.3(10) . . ?
C53 C54 Si2 117.4(9) . . ?
C54 C55 C56 122.0(12) . . ?
C54 C55 C68 122.5(13) . . ?
C56 C55 C68 115.4(12) . . ?
C57 C56 C55 124.0(12) . . ?
C56 C57 C58 119.9(13) . . ?
C56 C57 C71 123.3(12) . . ?
C58 C57 C71 115.9(11) . . ?
C57 C58 C53 115.8(10) . . ?
C57 C58 C77 124.6(11) . . ?
C53 C58 C77 59.7(8) . . ?
C60 C59 C48 114.5(11) . . ?
C60 C59 C61 108.6(12) . . ?
C48 C59 C61 108.5(12) . . ?
C64 C62 C63 110.3(14) . . ?
C64 C62 C50 112.9(12) . . ?
C63 C62 C50 111.8(13) . . ?
C67 C65 C66 110.0(13) . . ?
C67 C65 C52 111.7(12) . . ?
C66 C65 C52 113.1(12) . . ?
C69 C68 C55 112.8(11) . . ?
C69 C68 C70 113.2(12) . . ?
C55 C68 C70 109.9(12) . . ?
C72 C71 C73 113.7(14) . . ?
C72 C71 C57 114.7(12) . . ?
C73 C71 C57 109.8(13) . . ?
C75 C74 C76 108.8(11) . . ?
C75 C74 C77 114.5(12) . . ?
C76 C74 C77 110.9(11) . . ?
C74 C77 C53 116.0(10) . . ?
C74 C77 C58 118.2(10) . . ?
C53 C77 C58 59.8(7) . . ?
C74 C77 Sn2 123.1(8) . . ?
C53 C77 Sn2 108.6(7) . . ?
C58 C77 Sn2 114.0(8) . . ?
C82 C81 C86 120(2) . . ?
C81 C82 C83 121(2) . . ?
C84 C83 C82 121(3) . . ?
C83 C84 C85 118(2) . . ?
C86 C85 C84 123(2) . . ?
C85 C86 C81 116.4(16) . . ?
C88 C87 C92 120.0 . . ?
C87 C88 C89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C89 C90 C91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C91 C92 C87 120.0 . . ?
C98 C93 C94 120.0 . . ?
C95 C94 C93 120.0 . . ?
C96 C95 C94 120.0 . . ?
C95 C96 C97 120.0 . . ?
C96 C97 C98 120.0 . . ?
C93 C98 C97 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Sn1 Sn2 C41 151.5(5) . . . . ?
C37 Sn1 Sn2 C77 96.7(6) . . . . ?
C1 Sn1 Sn2 C77 27.7(6) . . . . ?
C37 Sn1 Sn2 C41 -139.6(5) . . . . ?
C1 Sn1 Sn2 C17 -100.7(5) . . . . ?
C37 Sn1 Sn2 C17 -31.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.729
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.112