# Copyright The Royal Society of Chemistry, 1998
 
data_feb1196 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      '[Sn{N(SiMe3)C(Ph)NC(Ph)=C(SiMe3)2}2]' 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C48 H74 Hg N4 Si6' 
_chemical_formula_weight          1076.24 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
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' 
 'Hg'  'Hg'  -2.3894   9.2266 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'x+1/2, -y+1/2, z+1/2' 
 '-x, -y, -z' 
 '-x-1/2, y-1/2, -z-1/2' 
  
_cell_length_a                    12.995(6) 
_cell_length_b                    35.210(15) 
_cell_length_c                    13.391(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  114.69(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      5567.0(37) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       7 
_cell_measurement_theta_max       10 
  
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.20 
_exptl_crystal_size_mid           0.20 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.284 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              2216 
_exptl_absorpt_coefficient_mu     2.927 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.58 
_exptl_absorpt_correction_T_max   1.00 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(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        ' Enraf-Nonius CAD4' 
_diffrn_measurement_method        \w--2\q 
_diffrn_standards_number          2 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   120 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             10217 
_diffrn_reflns_av_R_equivalents   0.0841 
_diffrn_reflns_av_sigmaI/netI     0.2219 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        41 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          2.03 
_diffrn_reflns_theta_max          24.97 
_reflns_number_total              9769 
_reflns_number_observed           4410 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Enraf-Nonius CAD4' 
_computing_cell_refinement        'Enraf-Nonius CAD4' 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'CAMERON (Watkin and Pearce,1993)' 
_computing_publication_material   SHELXL-93 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 1 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0205P)^2^+0.0000P] 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     riding 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          9768 
_refine_ls_number_parameters      532 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.2029 
_refine_ls_R_factor_obs           0.0797 
_refine_ls_wR_factor_all          0.1555 
_refine_ls_wR_factor_obs          0.1142 
_refine_ls_goodness_of_fit_all    1.009 
_refine_ls_goodness_of_fit_obs    1.136 
_refine_ls_restrained_S_all       1.009 
_refine_ls_restrained_S_obs       1.136 
_refine_ls_shift/esd_max          0.031 
_refine_ls_shift/esd_mean         0.005 
  
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Hg Hg 0.39606(4) 0.07107(2) 0.23336(4) 0.0448(2) Uani 1 d . . 
Si1 Si 0.1019(3) 0.07227(14) 0.3239(3) 0.0594(11) Uani 1 d . . 
Si2 Si 0.0021(4) 0.15672(14) 0.3206(4) 0.076(2) Uani 1 d . . 
Si3 Si 0.6289(3) 0.07943(14) 0.4663(3) 0.0689(15) Uani 1 d . . 
Si4 Si 0.3071(4) -0.00305(11) 0.0608(3) 0.0536(12) Uani 1 d . . 
Si5 Si 0.2720(4) 0.22212(12) -0.0507(4) 0.0698(14) Uani 1 d . . 
Si6 Si 0.4827(3) 0.16399(12) 0.0630(4) 0.0572(12) Uani 1 d . . 
N1 N 0.4856(9) 0.0927(3) 0.3892(8) 0.055(3) Uani 1 d . . 
N2 N 0.3098(9) 0.1149(3) 0.3452(8) 0.043(3) Uani 1 d . . 
N3 N 0.3112(9) 0.0462(3) 0.0795(9) 0.050(3) Uani 1 d . . 
N4 N 0.3003(8) 0.1095(3) 0.0505(8) 0.040(3) Uani 1 d . . 
C1 C 0.4181(11) 0.1149(4) 0.4136(10) 0.038(3) Uani 1 d . . 
C2 C 0.2269(11) 0.1380(4) 0.3546(9) 0.040(3) Uani 1 d . . 
C3 C 0.1236(11) 0.1252(4) 0.3401(11) 0.052(4) Uani 1 d . . 
C4 C 0.4658(11) 0.1346(4) 0.5228(11) 0.048(4) Uani 1 d . . 
C5 C 0.5305(11) 0.1680(4) 0.5326(12) 0.061(4) Uani 1 d . . 
H5 H 0.5458(11) 0.1762(4) 0.4742(12) 0.073 Uiso 1 calc R . 
C6 C 0.5710(14) 0.1883(5) 0.6311(15) 0.089(6) Uani 1 d . . 
H6 H 0.6106(14) 0.2109(5) 0.6382(15) 0.107 Uiso 1 calc R . 
C7 C 0.5513(17) 0.1745(6) 0.7163(16) 0.108(8) Uani 1 d . . 
H7 H 0.5846(17) 0.1868(6) 0.7838(16) 0.130 Uiso 1 calc R . 
C8 C 0.4858(18) 0.1438(6) 0.7077(13) 0.103(7) Uani 1 d . . 
H8 H 0.4688(18) 0.1363(6) 0.7657(13) 0.124 Uiso 1 calc R . 
C9 C 0.4445(13) 0.1240(5) 0.6089(12) 0.072(5) Uani 1 d . . 
H9 H 0.4004(13) 0.1025(5) 0.6020(12) 0.086 Uiso 1 calc R . 
C10 C 0.2602(11) 0.1790(4) 0.3764(12) 0.048(4) Uani 1 d . . 
C11 C 0.2936(12) 0.2005(4) 0.3111(13) 0.064(5) Uani 1 d . . 
H11 H 0.2984(12) 0.1894(4) 0.2502(13) 0.077 Uiso 1 calc R . 
C12 C 0.3207(14) 0.2387(5) 0.3332(16) 0.082(6) Uani 1 d . . 
H12 H 0.3397(14) 0.2534(5) 0.2856(16) 0.098 Uiso 1 calc R . 
C13 C 0.3191(15) 0.2543(5) 0.4261(19) 0.102(8) Uani 1 d . . 
H13 H 0.3399(15) 0.2796(5) 0.4425(19) 0.122 Uiso 1 calc R . 
C15 C 0.2579(12) 0.1960(4) 0.4693(13) 0.065(5) Uani 1 d . . 
H15 H 0.2357(12) 0.1818(4) 0.5155(13) 0.078 Uiso 1 calc R . 
C16 C 0.2249(13) 0.0434(4) 0.4150(13) 0.091(6) Uani 1 d . . 
H16A H 0.2463(13) 0.0507(4) 0.4901(13) 0.137 Uiso 1 calc R . 
H16B H 0.2874(13) 0.0475(4) 0.3958(13) 0.137 Uiso 1 calc R . 
H16C H 0.2047(13) 0.0170(4) 0.4063(13) 0.137 Uiso 1 calc R . 
C14 C 0.2881(14) 0.2340(5) 0.4943(16) 0.086(6) Uani 1 d . . 
H14 H 0.2870(14) 0.2451(5) 0.5568(16) 0.104 Uiso 1 calc R . 
C17 C 0.0626(13) 0.0576(4) 0.1803(11) 0.083(5) Uani 1 d . . 
H17A H -0.0009(13) 0.0723(4) 0.1322(11) 0.124 Uiso 1 calc R . 
H17B H 0.0428(13) 0.0311(4) 0.1722(11) 0.124 Uiso 1 calc R . 
H17C H 0.1256(13) 0.0616(4) 0.1618(11) 0.124 Uiso 1 calc R . 
C18 C -0.0114(13) 0.0575(4) 0.3662(12) 0.085(6) Uani 1 d . . 
H18A H 0.0088(13) 0.0651(4) 0.4409(12) 0.127 Uiso 1 calc R . 
H18B H -0.0199(13) 0.0304(4) 0.3605(12) 0.127 Uiso 1 calc R . 
H18C H -0.0815(13) 0.0694(4) 0.3192(12) 0.127 Uiso 1 calc R . 
C19 C 0.0070(13) 0.2045(4) 0.2627(15) 0.111(7) Uani 1 d . . 
H19A H -0.0586(13) 0.2189(4) 0.2554(15) 0.166 Uiso 1 calc R . 
H19B H 0.0080(13) 0.2017(4) 0.1918(15) 0.166 Uiso 1 calc R . 
H19C H 0.0742(13) 0.2177(4) 0.3110(15) 0.166 Uiso 1 calc R . 
C20 C -0.0131(14) 0.1633(5) 0.4525(14) 0.116(7) Uani 1 d . . 
H20A H -0.0763(14) 0.1796(5) 0.4402(14) 0.174 Uiso 1 calc R . 
H20B H 0.0547(14) 0.1745(5) 0.5063(14) 0.174 Uiso 1 calc R . 
H20C H -0.0256(14) 0.1390(5) 0.4785(14) 0.174 Uiso 1 calc R . 
C21 C -0.1350(11) 0.1354(5) 0.2126(14) 0.118(7) Uani 1 d . . 
H21A H -0.1975(11) 0.1518(5) 0.2029(14) 0.177 Uiso 1 calc R . 
H21B H -0.1476(11) 0.1109(5) 0.2367(14) 0.177 Uiso 1 calc R . 
H21C H -0.1286(11) 0.1329(5) 0.1440(14) 0.177 Uiso 1 calc R . 
C22 C 0.6665(13) 0.0459(5) 0.3804(13) 0.117(7) Uani 1 d . . 
H22A H 0.6587(13) 0.0583(5) 0.3138(13) 0.176 Uiso 1 calc R . 
H22B H 0.6170(13) 0.0243(5) 0.3628(13) 0.176 Uiso 1 calc R . 
H22C H 0.7434(13) 0.0377(5) 0.4201(13) 0.176 Uiso 1 calc R . 
C23 C 0.7339(12) 0.1193(5) 0.4977(17) 0.141(9) Uani 1 d . . 
H23A H 0.7267(12) 0.1310(5) 0.4303(17) 0.211 Uiso 1 calc R . 
H23B H 0.8093(12) 0.1095(5) 0.5359(17) 0.211 Uiso 1 calc R . 
H23C H 0.7195(12) 0.1378(5) 0.5428(17) 0.211 Uiso 1 calc R . 
C24 C 0.6420(15) 0.0575(6) 0.5923(13) 0.144(10) Uani 1 d . . 
H24A H 0.6221(15) 0.0755(6) 0.6352(13) 0.216 Uiso 1 calc R . 
H24B H 0.7188(15) 0.0493(6) 0.6332(13) 0.216 Uiso 1 calc R . 
H24C H 0.5923(15) 0.0360(6) 0.5759(13) 0.216 Uiso 1 calc R . 
C25 C 0.2683(10) 0.0758(4) 0.0113(10) 0.045(4) Uani 1 d . . 
C26 C 0.2575(11) 0.1438(4) -0.0074(9) 0.040(4) Uani 1 d . . 
C27 C 0.3274(11) 0.1731(3) -0.0042(10) 0.046(4) Uani 1 d . . 
C28 C 0.1909(11) 0.0677(4) -0.1056(10) 0.042(3) Uani 1 d . . 
C29 C 0.0824(12) 0.0537(4) -0.1345(12) 0.058(4) Uani 1 d . . 
H29 H 0.0570(12) 0.0484(4) -0.0805(12) 0.070 Uiso 1 calc R . 
C30 C 0.0129(14) 0.0478(4) -0.2426(12) 0.075(6) Uani 1 d . . 
H30 H -0.0603(14) 0.0389(4) -0.2617(12) 0.090 Uiso 1 calc R . 
C31 C 0.0485(18) 0.0545(5) -0.3228(13) 0.093(7) Uani 1 d . . 
H31 H 0.0003(18) 0.0499(5) -0.3960(13) 0.112 Uiso 1 calc R . 
C32 C 0.1580(16) 0.0683(5) -0.2951(13) 0.096(6) Uani 1 d . . 
H32 H 0.1839(16) 0.0728(5) -0.3491(13) 0.115 Uiso 1 calc R . 
C33 C 0.2272(12) 0.0751(5) -0.1852(11) 0.070(5) Uani 1 d . . 
H33 H 0.2996(12) 0.0849(5) -0.1657(11) 0.084 Uiso 1 calc R . 
C34 C 0.1277(13) 0.1453(4) -0.0633(11) 0.051(4) Uani 1 d . . 
C35 C 0.0653(13) 0.1396(4) -0.0062(13) 0.064(5) Uani 1 d . . 
H35 H 0.1016(13) 0.1351(4) 0.0690(13) 0.077 Uiso 1 calc R . 
C36 C -0.0533(15) 0.1404(5) -0.0573(17) 0.087(6) Uani 1 d . . 
H36 H -0.0967(15) 0.1367(5) -0.0178(17) 0.105 Uiso 1 calc R . 
C37 C -0.1041(19) 0.1472(6) -0.1725(22) 0.124(11) Uani 1 d . . 
H37 H -0.1826(19) 0.1476(6) -0.2100(22) 0.148 Uiso 1 calc R . 
C38 C -0.0415(18) 0.1530(6) -0.2262(20) 0.112(9) Uani 1 d . . 
H38 H -0.0775(18) 0.1578(6) -0.3013(20) 0.134 Uiso 1 calc R . 
C39 C 0.0768(12) 0.1522(4) -0.1766(12) 0.067(5) Uani 1 d . . 
H39 H 0.1195(12) 0.1560(4) -0.2168(12) 0.080 Uiso 1 calc R . 
C40 C 0.2991(15) -0.0174(4) -0.0752(12) 0.101(7) Uani 1 d . . 
H40A H 0.3607(15) -0.0060(4) -0.0864(12) 0.152 Uiso 1 calc R . 
H40B H 0.2285(15) -0.0089(4) -0.1316(12) 0.152 Uiso 1 calc R . 
H40C H 0.3040(15) -0.0445(4) -0.0780(12) 0.152 Uiso 1 calc R . 
C41 C 0.1903(12) -0.0241(4) 0.0868(12) 0.083(6) Uani 1 d . . 
H41A H 0.1966(12) -0.0162(4) 0.1577(12) 0.125 Uiso 1 calc R . 
H41B H 0.1945(12) -0.0513(4) 0.0849(12) 0.125 Uiso 1 calc R . 
H41C H 0.1191(12) -0.0157(4) 0.0313(12) 0.125 Uiso 1 calc R . 
C42 C 0.4413(13) -0.0217(4) 0.1673(13) 0.091(6) Uani 1 d . . 
H42A H 0.5041(13) -0.0113(4) 0.1563(13) 0.137 Uiso 1 calc R . 
H42B H 0.4421(13) -0.0489(4) 0.1622(13) 0.137 Uiso 1 calc R . 
H42C H 0.4473(13) -0.0146(4) 0.2388(13) 0.137 Uiso 1 calc R . 
C43 C 0.3694(15) 0.2573(4) 0.0505(15) 0.124(8) Uani 1 d . . 
H43A H 0.3724(15) 0.2523(4) 0.1221(15) 0.186 Uiso 1 calc R . 
H43B H 0.3416(15) 0.2826(4) 0.0282(15) 0.186 Uiso 1 calc R . 
H43C H 0.4440(15) 0.2550(4) 0.0528(15) 0.186 Uiso 1 calc R . 
C44 C 0.1319(13) 0.2338(4) -0.0511(14) 0.105(7) Uani 1 d . . 
H44A H 0.1339(13) 0.2286(4) 0.0200(14) 0.158 Uiso 1 calc R . 
H44B H 0.0741(13) 0.2187(4) -0.1054(14) 0.158 Uiso 1 calc R . 
H44C H 0.1156(13) 0.2602(4) -0.0681(14) 0.158 Uiso 1 calc R . 
C45 C 0.2676(15) 0.2324(4) -0.1890(13) 0.113(7) Uani 1 d . . 
H45A H 0.3396(15) 0.2264(4) -0.1891(13) 0.170 Uiso 1 calc R . 
H45B H 0.2512(15) 0.2588(4) -0.2059(13) 0.170 Uiso 1 calc R . 
H45C H 0.2097(15) 0.2173(4) -0.2433(13) 0.170 Uiso 1 calc R . 
C46 C 0.5261(10) 0.1167(4) 0.0335(13) 0.078(5) Uani 1 d . . 
H46A H 0.6070(10) 0.1142(4) 0.0709(13) 0.116 Uiso 1 calc R . 
H46B H 0.5033(10) 0.1141(4) -0.0442(13) 0.116 Uiso 1 calc R . 
H46C H 0.4907(10) 0.0972(4) 0.0585(13) 0.116 Uiso 1 calc R . 
C47 C 0.5586(12) 0.1978(4) 0.0101(12) 0.087(6) Uani 1 d . . 
H47A H 0.5409(12) 0.2233(4) 0.0222(12) 0.130 Uiso 1 calc R . 
H47B H 0.5352(12) 0.1936(4) -0.0671(12) 0.130 Uiso 1 calc R . 
H47C H 0.6388(12) 0.1937(4) 0.0481(12) 0.130 Uiso 1 calc R . 
C48 C 0.5370(11) 0.1700(4) 0.2149(10) 0.072(5) Uani 1 d . . 
H48A H 0.5148(11) 0.1945(4) 0.2309(10) 0.108 Uiso 1 calc R . 
H48B H 0.6181(11) 0.1682(4) 0.2476(10) 0.108 Uiso 1 calc R . 
H48C H 0.5059(11) 0.1505(4) 0.2442(10) 0.108 Uiso 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 
Hg 0.0433(3) 0.0467(3) 0.0389(3) 0.0003(4) 0.0117(2) 0.0031(4) 
Si1 0.063(3) 0.054(3) 0.066(3) -0.006(3) 0.033(2) -0.011(3) 
Si2 0.047(3) 0.076(4) 0.107(4) -0.013(3) 0.033(3) 0.010(3) 
Si3 0.051(3) 0.097(4) 0.046(2) 0.007(3) 0.008(2) 0.021(3) 
Si4 0.063(3) 0.040(3) 0.057(3) -0.003(2) 0.025(2) -0.001(2) 
Si5 0.092(4) 0.044(3) 0.075(3) 0.014(3) 0.036(3) -0.001(3) 
Si6 0.048(3) 0.058(3) 0.062(3) 0.004(2) 0.020(2) -0.010(2) 
N1 0.047(7) 0.065(8) 0.036(7) -0.011(6) 0.002(6) 0.019(6) 
N2 0.030(6) 0.042(7) 0.042(7) -0.002(6) 0.000(6) 0.005(6) 
N3 0.063(8) 0.038(7) 0.042(7) -0.015(6) 0.015(6) 0.014(6) 
N4 0.031(6) 0.039(7) 0.036(7) 0.009(6) -0.001(5) -0.012(6) 
C1 0.053(9) 0.040(9) 0.031(8) 0.000(7) 0.026(7) -0.001(7) 
C2 0.040(9) 0.047(9) 0.025(7) 0.001(7) 0.005(6) 0.001(7) 
C3 0.036(8) 0.037(8) 0.070(10) -0.015(8) 0.011(8) -0.016(7) 
C4 0.041(9) 0.065(11) 0.034(8) -0.002(8) 0.011(7) -0.001(8) 
C5 0.055(10) 0.066(11) 0.060(11) -0.001(9) 0.021(9) 0.001(9) 
C6 0.093(14) 0.093(15) 0.063(12) -0.028(12) 0.016(12) -0.027(11) 
C7 0.108(18) 0.123(20) 0.064(14) -0.028(15) 0.007(13) -0.024(14) 
C8 0.153(21) 0.125(18) 0.034(11) -0.008(12) 0.041(12) 0.013(15) 
C9 0.087(13) 0.088(13) 0.049(10) -0.008(10) 0.036(10) -0.016(10) 
C10 0.050(9) 0.036(9) 0.065(11) -0.009(8) 0.030(8) 0.008(7) 
C11 0.072(11) 0.035(9) 0.096(13) 0.020(9) 0.044(10) 0.009(8) 
C12 0.081(13) 0.060(13) 0.107(16) 0.033(12) 0.044(12) -0.002(10) 
C13 0.080(14) 0.059(14) 0.155(23) -0.027(15) 0.038(15) -0.022(11) 
C15 0.058(11) 0.049(11) 0.082(12) -0.006(10) 0.024(9) 0.001(8) 
C16 0.110(15) 0.050(11) 0.107(14) 0.008(10) 0.040(12) 0.016(10) 
C14 0.091(14) 0.055(13) 0.132(18) -0.041(12) 0.066(14) -0.025(11) 
C17 0.116(14) 0.069(12) 0.071(11) -0.009(9) 0.046(11) -0.022(10) 
C18 0.105(14) 0.078(13) 0.082(12) -0.022(10) 0.050(11) -0.016(10) 
C19 0.070(13) 0.092(14) 0.162(19) 0.042(14) 0.039(13) 0.041(11) 
C20 0.126(17) 0.113(17) 0.150(19) -0.025(15) 0.098(15) 0.010(13) 
C21 0.040(11) 0.134(17) 0.132(17) 0.000(14) -0.012(11) 0.010(10) 
C22 0.055(12) 0.166(19) 0.112(16) -0.022(14) 0.017(11) 0.040(12) 
C23 0.036(11) 0.129(18) 0.201(23) -0.030(16) -0.006(13) -0.031(11) 
C24 0.132(17) 0.231(26) 0.086(14) 0.079(15) 0.062(13) 0.125(17) 
C25 0.033(7) 0.056(10) 0.045(8) -0.014(9) 0.013(6) -0.005(8) 
C26 0.041(9) 0.035(8) 0.026(7) 0.009(7) -0.002(6) -0.003(7) 
C27 0.058(9) 0.036(8) 0.039(8) -0.002(7) 0.017(7) -0.009(7) 
C28 0.068(10) 0.019(7) 0.044(8) 0.008(7) 0.026(7) 0.000(8) 
C29 0.050(10) 0.055(10) 0.056(10) -0.001(8) 0.010(8) -0.020(8) 
C30 0.070(12) 0.084(13) 0.034(9) -0.014(9) -0.015(9) -0.012(10) 
C31 0.143(19) 0.079(14) 0.025(9) -0.020(9) 0.002(12) -0.024(12) 
C32 0.118(16) 0.116(16) 0.055(11) 0.000(13) 0.038(11) -0.030(15) 
C33 0.073(11) 0.081(12) 0.041(9) 0.002(10) 0.009(8) -0.008(10) 
C34 0.075(11) 0.043(9) 0.042(9) 0.006(8) 0.031(9) -0.001(8) 
C35 0.068(12) 0.045(10) 0.082(12) -0.006(9) 0.032(11) 0.002(9) 
C36 0.058(13) 0.080(14) 0.125(17) -0.016(13) 0.039(12) -0.015(10) 
C37 0.069(17) 0.079(16) 0.153(27) 0.005(17) -0.023(16) -0.001(13) 
C38 0.088(19) 0.078(15) 0.113(20) 0.011(14) -0.015(15) -0.006(14) 
C39 0.048(10) 0.071(12) 0.066(11) 0.008(9) 0.010(9) -0.013(9) 
C40 0.170(19) 0.080(13) 0.081(13) 0.003(11) 0.078(13) 0.047(13) 
C41 0.084(12) 0.055(11) 0.108(14) 0.001(10) 0.038(11) -0.021(9) 
C42 0.095(14) 0.062(11) 0.110(14) 0.013(11) 0.037(12) 0.024(10) 
C43 0.152(19) 0.034(11) 0.155(20) -0.013(12) 0.033(16) -0.005(12) 
C44 0.107(15) 0.069(13) 0.137(17) -0.013(12) 0.048(14) 0.024(11) 
C45 0.156(19) 0.087(14) 0.106(15) 0.056(12) 0.066(14) 0.011(13) 
C46 0.027(9) 0.086(13) 0.113(14) -0.013(11) 0.023(9) 0.008(8) 
C47 0.062(11) 0.105(15) 0.094(13) 0.021(12) 0.034(10) -0.021(10) 
C48 0.065(11) 0.087(12) 0.051(10) -0.001(9) 0.011(9) -0.024(9) 
  
_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 
Hg N1 2.065(10) . ? 
Hg N3 2.080(10) . ? 
Hg N4 2.614(9) . ? 
Hg N2 2.698(11) . ? 
Hg C25 2.739(12) . ? 
Si1 C17 1.846(13) . ? 
Si1 C16 1.858(14) . ? 
Si1 C18 1.859(15) . ? 
Si1 C3 1.884(13) . ? 
Si2 C3 1.858(14) . ? 
Si2 C19 1.87(2) . ? 
Si2 C20 1.87(2) . ? 
Si2 C21 1.917(14) . ? 
Si3 N1 1.774(10) . ? 
Si3 C24 1.80(2) . ? 
Si3 C22 1.85(2) . ? 
Si3 C23 1.88(2) . ? 
Si4 N3 1.750(10) . ? 
Si4 C41 1.848(14) . ? 
Si4 C40 1.849(14) . ? 
Si4 C42 1.852(14) . ? 
Si5 C45 1.86(2) . ? 
Si5 C44 1.86(2) . ? 
Si5 C27 1.876(13) . ? 
Si5 C43 1.881(15) . ? 
Si6 C46 1.854(14) . ? 
Si6 C27 1.862(13) . ? 
Si6 C47 1.863(14) . ? 
Si6 C48 1.865(13) . ? 
N1 C1 1.313(14) . ? 
N2 C1 1.320(14) . ? 
N2 C2 1.397(15) . ? 
N3 C25 1.34(2) . ? 
N4 C25 1.295(15) . ? 
N4 C26 1.415(14) . ? 
C1 C4 1.50(2) . ? 
C2 C3 1.35(2) . ? 
C2 C10 1.50(2) . ? 
C4 C9 1.35(2) . ? 
C4 C5 1.42(2) . ? 
C5 C6 1.40(2) . ? 
C6 C7 1.36(2) . ? 
C7 C8 1.35(2) . ? 
C8 C9 1.39(2) . ? 
C10 C11 1.36(2) . ? 
C10 C15 1.39(2) . ? 
C11 C12 1.39(2) . ? 
C12 C13 1.37(2) . ? 
C13 C14 1.35(2) . ? 
C15 C14 1.39(2) . ? 
C25 C28 1.49(2) . ? 
C26 C27 1.36(2) . ? 
C26 C34 1.53(2) . ? 
C28 C33 1.36(2) . ? 
C28 C29 1.39(2) . ? 
C29 C30 1.36(2) . ? 
C30 C31 1.36(2) . ? 
C31 C32 1.40(2) . ? 
C32 C33 1.39(2) . ? 
C34 C35 1.34(2) . ? 
C34 C39 1.40(2) . ? 
C35 C36 1.40(2) . ? 
C36 C37 1.42(3) . ? 
C37 C38 1.31(3) . ? 
C38 C39 1.40(2) . ? 
  
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 
N1 Hg N3 176.6(4) . . ? 
N1 Hg N4 127.0(4) . . ? 
N3 Hg N4 56.1(4) . . ? 
N1 Hg N2 54.3(3) . . ? 
N3 Hg N2 128.2(4) . . ? 
N4 Hg N2 94.5(3) . . ? 
N1 Hg C25 154.8(5) . . ? 
N3 Hg C25 28.4(4) . . ? 
N4 Hg C25 27.9(3) . . ? 
N2 Hg C25 111.3(3) . . ? 
C17 Si1 C16 108.6(7) . . ? 
C17 Si1 C18 109.3(7) . . ? 
C16 Si1 C18 102.7(7) . . ? 
C17 Si1 C3 111.1(7) . . ? 
C16 Si1 C3 114.8(6) . . ? 
C18 Si1 C3 110.0(7) . . ? 
C3 Si2 C19 115.0(7) . . ? 
C3 Si2 C20 111.1(7) . . ? 
C19 Si2 C20 108.5(8) . . ? 
C3 Si2 C21 109.9(7) . . ? 
C19 Si2 C21 102.8(8) . . ? 
C20 Si2 C21 109.2(8) . . ? 
N1 Si3 C24 109.0(7) . . ? 
N1 Si3 C22 107.0(6) . . ? 
C24 Si3 C22 111.3(9) . . ? 
N1 Si3 C23 114.9(7) . . ? 
C24 Si3 C23 109.6(9) . . ? 
C22 Si3 C23 105.0(9) . . ? 
N3 Si4 C41 110.3(6) . . ? 
N3 Si4 C40 113.4(6) . . ? 
C41 Si4 C40 111.3(8) . . ? 
N3 Si4 C42 106.2(6) . . ? 
C41 Si4 C42 107.2(7) . . ? 
C40 Si4 C42 108.0(7) . . ? 
C45 Si5 C44 109.3(8) . . ? 
C45 Si5 C27 110.9(7) . . ? 
C44 Si5 C27 116.3(7) . . ? 
C45 Si5 C43 108.7(8) . . ? 
C44 Si5 C43 102.6(8) . . ? 
C27 Si5 C43 108.5(7) . . ? 
C46 Si6 C27 114.6(6) . . ? 
C46 Si6 C47 103.7(7) . . ? 
C27 Si6 C47 110.2(6) . . ? 
C46 Si6 C48 108.9(7) . . ? 
C27 Si6 C48 110.3(6) . . ? 
C47 Si6 C48 108.8(7) . . ? 
C1 N1 Si3 131.3(9) . . ? 
C1 N1 Hg 108.5(8) . . ? 
Si3 N1 Hg 120.2(6) . . ? 
C1 N2 C2 125.2(11) . . ? 
C1 N2 Hg 79.4(7) . . ? 
C2 N2 Hg 153.8(8) . . ? 
C25 N3 Si4 133.8(9) . . ? 
C25 N3 Hg 104.2(8) . . ? 
Si4 N3 Hg 122.0(6) . . ? 
C25 N4 C26 125.0(10) . . ? 
C25 N4 Hg 81.4(8) . . ? 
C26 N4 Hg 151.5(8) . . ? 
N1 C1 N2 117.2(12) . . ? 
N1 C1 C4 118.1(12) . . ? 
N2 C1 C4 124.3(12) . . ? 
C3 C2 N2 123.4(12) . . ? 
C3 C2 C10 122.5(12) . . ? 
N2 C2 C10 114.0(11) . . ? 
C2 C3 Si2 123.8(10) . . ? 
C2 C3 Si1 116.0(10) . . ? 
Si2 C3 Si1 119.8(7) . . ? 
C9 C4 C5 118.5(14) . . ? 
C9 C4 C1 123.8(14) . . ? 
C5 C4 C1 117.5(13) . . ? 
C6 C5 C4 119.2(16) . . ? 
C7 C6 C5 118.7(18) . . ? 
C8 C7 C6 123.3(19) . . ? 
C7 C8 C9 117.5(19) . . ? 
C4 C9 C8 122.6(17) . . ? 
C11 C10 C15 117.9(14) . . ? 
C11 C10 C2 123.7(14) . . ? 
C15 C10 C2 118.4(14) . . ? 
C10 C11 C12 121.6(17) . . ? 
C13 C12 C11 118.9(18) . . ? 
C14 C13 C12 121.6(19) . . ? 
C10 C15 C14 121.2(17) . . ? 
C13 C14 C15 118.7(19) . . ? 
N4 C25 N3 117.6(11) . . ? 
N4 C25 C28 124.2(13) . . ? 
N3 C25 C28 118.1(13) . . ? 
N4 C25 Hg 70.7(7) . . ? 
N3 C25 Hg 47.4(6) . . ? 
C28 C25 Hg 164.6(11) . . ? 
C27 C26 N4 121.5(11) . . ? 
C27 C26 C34 124.8(11) . . ? 
N4 C26 C34 113.5(11) . . ? 
C26 C27 Si6 117.3(10) . . ? 
C26 C27 Si5 121.9(10) . . ? 
Si6 C27 Si5 120.4(7) . . ? 
C33 C28 C29 119.6(13) . . ? 
C33 C28 C25 118.9(12) . . ? 
C29 C28 C25 121.5(13) . . ? 
C30 C29 C28 119.7(15) . . ? 
C31 C30 C29 121.4(16) . . ? 
C30 C31 C32 119.7(15) . . ? 
C33 C32 C31 118.6(16) . . ? 
C28 C33 C32 121.0(15) . . ? 
C35 C34 C39 121.3(15) . . ? 
C35 C34 C26 121.3(13) . . ? 
C39 C34 C26 117.4(14) . . ? 
C34 C35 C36 121.5(16) . . ? 
C35 C36 C37 116.8(19) . . ? 
C38 C37 C36 120.6(24) . . ? 
C37 C38 C39 123.3(25) . . ? 
C38 C39 C34 116.5(17) . . ? 
  
_refine_diff_density_max    0.717 
_refine_diff_density_min   -0.857 
_refine_diff_density_rms    0.134 

#=END

 
data_jan498 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      '[{K(Me3SiNCPhNCPhC(SiMe3)2)}2]' 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C48 H74 K2 N4 Si6' 
_chemical_formula_weight          953.85 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
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' 
 'K'  'K'   0.2009   0.2494 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'x+1/2, -y+1/2, z+1/2' 
 '-x, -y, -z' 
 '-x-1/2, y-1/2, -z-1/2' 
  
_cell_length_a                    9.227(3) 
_cell_length_b                    18.050(8) 
_cell_length_c                    16.192(11) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  96.09(4) 
_cell_angle_gamma                 90.00 
_cell_volume                      2681.5(23) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       7 
_cell_measurement_theta_max       10 
  
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.30 
_exptl_crystal_size_mid           0.30 
_exptl_crystal_size_min           0.20 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.181 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1024 
_exptl_absorpt_coefficient_mu     0.346 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       173(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        ' Enraf-Nonius CAD4' 
_diffrn_measurement_method        \w--2\q 
_diffrn_standards_number          2 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   120 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             4991 
_diffrn_reflns_av_R_equivalents   0.0478 
_diffrn_reflns_av_sigmaI/netI     0.0781 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        21 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          2.26 
_diffrn_reflns_theta_max          24.97 
_reflns_number_total              4691 
_reflns_number_observed           3332 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Enraf-Nonius CAD4' 
_computing_cell_refinement        'Enraf-Nonius CAD4' 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'CAMERON (Watkin and Pearce,1993)' 
_computing_publication_material   SHELXL-93 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0771P)^2^+0.2284P] 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     riding 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4691 
_refine_ls_number_parameters      271 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0900 
_refine_ls_R_factor_obs           0.0561 
_refine_ls_wR_factor_all          0.1527 
_refine_ls_wR_factor_obs          0.1319 
_refine_ls_goodness_of_fit_all    1.043 
_refine_ls_goodness_of_fit_obs    1.079 
_refine_ls_restrained_S_all       1.043 
_refine_ls_restrained_S_obs       1.079 
_refine_ls_shift/esd_max          0.000 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
K K -0.13155(9) 0.05427(5) -0.04590(5) 0.0284(2) Uani 1 d . . 
Si1 Si 0.28446(11) 0.08410(5) -0.11123(7) 0.0243(3) Uani 1 d . . 
Si2 Si -0.25338(12) -0.26072(5) -0.19054(6) 0.0238(3) Uani 1 d . . 
Si3 Si 0.04847(12) -0.24902(5) -0.07203(6) 0.0237(3) Uani 1 d . . 
N1 N 0.1406(3) 0.0256(2) -0.1014(2) 0.0233(7) Uani 1 d . . 
N2 N 0.0069(3) -0.0813(2) -0.1205(2) 0.0200(6) Uani 1 d . . 
C1 C 0.0893(4) -0.0294(2) -0.1514(2) 0.0211(8) Uani 1 d . . 
C2 C -0.0744(4) -0.1323(2) -0.1717(2) 0.0188(7) Uani 1 d . . 
C3 C -0.0890(4) -0.2058(2) -0.1500(2) 0.0200(8) Uani 1 d . . 
C4 C 0.1298(4) -0.0342(2) -0.2385(2) 0.0223(8) Uani 1 d . . 
C5 C 0.0800(4) 0.0185(2) -0.2974(2) 0.0270(8) Uani 1 d . . 
H5 H 0.0233(4) 0.0590(2) -0.2817(2) 0.032 Uiso 1 calc R . 
C6 C 0.1120(5) 0.0123(2) -0.3783(2) 0.0367(10) Uani 1 d . . 
H6 H 0.0747(5) 0.0477(2) -0.4185(2) 0.044 Uiso 1 calc R . 
C7 C 0.1984(5) -0.0453(2) -0.4012(3) 0.0416(11) Uani 1 d . . 
H7 H 0.2213(5) -0.0494(2) -0.4568(3) 0.050 Uiso 1 calc R . 
C8 C 0.2506(5) -0.0963(2) -0.3427(3) 0.0405(11) Uani 1 d . . 
H8 H 0.3120(5) -0.1352(2) -0.3580(3) 0.049 Uiso 1 calc R . 
C9 C 0.2156(4) -0.0923(2) -0.2623(2) 0.0306(9) Uani 1 d . . 
H9 H 0.2499(4) -0.1291(2) -0.2231(2) 0.037 Uiso 1 calc R . 
C10 C -0.1575(4) -0.1031(2) -0.2490(2) 0.0192(7) Uani 1 d . . 
C11 C -0.2562(4) -0.0445(2) -0.2463(2) 0.0256(8) Uani 1 d . . 
H11 H -0.2689(4) -0.0217(2) -0.1947(2) 0.031 Uiso 1 calc R . 
C12 C -0.3350(5) -0.0197(2) -0.3181(2) 0.0336(9) Uani 1 d . . 
H12 H -0.4051(5) 0.0185(2) -0.3153(2) 0.040 Uiso 1 calc R . 
C13 C -0.3127(5) -0.0499(2) -0.3939(3) 0.0360(10) Uani 1 d . . 
H13 H -0.3656(5) -0.0320(2) -0.4434(3) 0.043 Uiso 1 calc R . 
C14 C -0.2124(4) -0.1067(2) -0.3971(2) 0.0299(9) Uani 1 d . . 
H14 H -0.1954(4) -0.1275(2) -0.4491(2) 0.036 Uiso 1 calc R . 
C15 C -0.1378(4) -0.1329(2) -0.3256(2) 0.0254(8) Uani 1 d . . 
H15 H -0.0708(4) -0.1725(2) -0.3287(2) 0.031 Uiso 1 calc R . 
C16 C 0.4481(5) 0.0343(2) -0.1402(3) 0.0457(12) Uani 1 d . . 
H16A H 0.4268(5) 0.0128(2) -0.1957(3) 0.069 Uiso 1 calc R . 
H16B H 0.4742(5) -0.0053(2) -0.0999(3) 0.069 Uiso 1 calc R . 
H16C H 0.5296(5) 0.0692(2) -0.1402(3) 0.069 Uiso 1 calc R . 
C17 C 0.2487(5) 0.1632(2) -0.1850(3) 0.0359(10) Uani 1 d . . 
H17A H 0.1627(5) 0.1907(2) -0.1713(3) 0.054 Uiso 1 calc R . 
H17B H 0.2312(5) 0.1442(2) -0.2419(3) 0.054 Uiso 1 calc R . 
H17C H 0.3333(5) 0.1963(2) -0.1806(3) 0.054 Uiso 1 calc R . 
C18 C 0.3343(5) 0.1230(2) -0.0055(3) 0.0389(10) Uani 1 d . . 
H18A H 0.2507(5) 0.1498(2) 0.0124(3) 0.058 Uiso 1 calc R . 
H18B H 0.4168(5) 0.1570(2) -0.0067(3) 0.058 Uiso 1 calc R . 
H18C H 0.3615(5) 0.0826(2) 0.0335(3) 0.058 Uiso 1 calc R . 
C19 C -0.3085(5) -0.3216(2) -0.1055(3) 0.0391(11) Uani 1 d . . 
H19A H -0.2266(5) -0.3535(2) -0.0851(3) 0.059 Uiso 1 calc R . 
H19B H -0.3915(5) -0.3524(2) -0.1271(3) 0.059 Uiso 1 calc R . 
H19C H -0.3363(5) -0.2908(2) -0.0599(3) 0.059 Uiso 1 calc R . 
C20 C -0.2272(5) -0.3235(2) -0.2802(2) 0.0349(10) Uani 1 d . . 
H20A H -0.1405(5) -0.3542(2) -0.2663(2) 0.052 Uiso 1 calc R . 
H20B H -0.2147(5) -0.2937(2) -0.3295(2) 0.052 Uiso 1 calc R . 
H20C H -0.3129(5) -0.3555(2) -0.2916(2) 0.052 Uiso 1 calc R . 
C21 C -0.4199(4) -0.2044(2) -0.2218(3) 0.0327(9) Uani 1 d . . 
H21A H -0.5003(4) -0.2373(2) -0.2422(3) 0.049 Uiso 1 calc R . 
H21B H -0.4002(4) -0.1698(2) -0.2659(3) 0.049 Uiso 1 calc R . 
H21C H -0.4466(4) -0.1766(2) -0.1737(3) 0.049 Uiso 1 calc R . 
C22 C 0.0668(5) -0.3496(2) -0.0986(3) 0.0379(10) Uani 1 d . . 
H22A H 0.0933(5) -0.3542(2) -0.1554(3) 0.057 Uiso 1 calc R . 
H22B H -0.0261(5) -0.3749(2) -0.0944(3) 0.057 Uiso 1 calc R . 
H22C H 0.1428(5) -0.3723(2) -0.0598(3) 0.057 Uiso 1 calc R . 
C23 C 0.2389(4) -0.2127(2) -0.0717(3) 0.0372(10) Uani 1 d . . 
H23A H 0.2680(4) -0.2147(2) -0.1281(3) 0.056 Uiso 1 calc R . 
H23B H 0.3056(4) -0.2431(2) -0.0347(3) 0.056 Uiso 1 calc R . 
H23C H 0.2427(4) -0.1613(2) -0.0521(3) 0.056 Uiso 1 calc R . 
C24 C -0.0019(5) -0.2441(2) 0.0362(2) 0.0325(9) Uani 1 d . . 
H24A H 0.0744(5) -0.2677(2) 0.0741(2) 0.049 Uiso 1 calc R . 
H24B H -0.0945(5) -0.2700(2) 0.0394(2) 0.049 Uiso 1 calc R . 
H24C H -0.0121(5) -0.1922(2) 0.0522(2) 0.049 Uiso 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 
K 0.0320(5) 0.0270(4) 0.0266(5) 0.0005(3) 0.0043(4) 0.0027(4) 
Si1 0.0257(5) 0.0153(5) 0.0327(6) 0.0019(4) 0.0067(4) -0.0013(4) 
Si2 0.0326(6) 0.0142(5) 0.0244(5) -0.0014(4) 0.0019(4) -0.0036(4) 
Si3 0.0312(6) 0.0173(5) 0.0224(5) 0.0016(4) 0.0013(4) 0.0031(4) 
N1 0.028(2) 0.0164(15) 0.026(2) -0.0033(13) 0.0074(13) -0.0037(13) 
N2 0.025(2) 0.0147(14) 0.020(2) -0.0003(12) 0.0024(12) -0.0025(12) 
C1 0.022(2) 0.015(2) 0.026(2) 0.0016(15) 0.0029(15) 0.0037(15) 
C2 0.025(2) 0.015(2) 0.017(2) -0.0002(14) 0.0050(14) 0.0018(15) 
C3 0.026(2) 0.013(2) 0.020(2) -0.0004(14) 0.0018(15) -0.0012(15) 
C4 0.024(2) 0.020(2) 0.023(2) -0.0017(15) 0.004(2) -0.004(2) 
C5 0.037(2) 0.018(2) 0.027(2) 0.000(2) 0.007(2) -0.003(2) 
C6 0.051(3) 0.029(2) 0.030(2) 0.006(2) 0.007(2) -0.008(2) 
C7 0.055(3) 0.044(3) 0.031(2) -0.009(2) 0.025(2) -0.011(2) 
C8 0.049(3) 0.033(2) 0.043(3) -0.005(2) 0.021(2) 0.005(2) 
C9 0.039(2) 0.026(2) 0.029(2) 0.000(2) 0.010(2) 0.007(2) 
C10 0.025(2) 0.011(2) 0.022(2) 0.0004(14) 0.0035(15) -0.0043(14) 
C11 0.036(2) 0.015(2) 0.026(2) -0.003(2) 0.003(2) -0.001(2) 
C12 0.039(2) 0.021(2) 0.040(2) 0.002(2) -0.003(2) 0.004(2) 
C13 0.045(3) 0.030(2) 0.030(2) 0.008(2) -0.008(2) -0.004(2) 
C14 0.044(2) 0.024(2) 0.021(2) -0.002(2) 0.000(2) -0.007(2) 
C15 0.033(2) 0.015(2) 0.029(2) -0.001(2) 0.003(2) -0.004(2) 
C16 0.039(3) 0.027(2) 0.074(3) 0.007(2) 0.022(2) 0.002(2) 
C17 0.047(3) 0.023(2) 0.039(2) 0.004(2) 0.011(2) -0.003(2) 
C18 0.041(2) 0.035(2) 0.039(2) 0.001(2) -0.002(2) -0.010(2) 
C19 0.055(3) 0.025(2) 0.037(2) 0.002(2) -0.001(2) -0.014(2) 
C20 0.049(3) 0.022(2) 0.032(2) -0.004(2) 0.000(2) 0.004(2) 
C21 0.030(2) 0.029(2) 0.040(2) -0.002(2) 0.005(2) -0.005(2) 
C22 0.052(3) 0.025(2) 0.036(2) 0.000(2) 0.002(2) 0.012(2) 
C23 0.029(2) 0.039(2) 0.043(3) 0.011(2) -0.001(2) 0.004(2) 
C24 0.039(2) 0.030(2) 0.027(2) 0.003(2) -0.001(2) 0.002(2) 
  
_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 
K N1 2.796(3) 3 ? 
K N1 2.804(3) . ? 
K N2 2.857(3) 3 ? 
K N2 3.067(3) . ? 
K C1 3.176(4) . ? 
K C1 3.208(4) 3 ? 
K K 3.343(2) 3 ? 
K Si1 3.932(2) 3 ? 
Si1 N1 1.717(3) . ? 
Si1 C16 1.860(4) . ? 
Si1 C18 1.863(4) . ? 
Si1 C17 1.869(4) . ? 
Si1 K 3.932(2) 3 ? 
Si2 C21 1.867(4) . ? 
Si2 C3 1.872(4) . ? 
Si2 C19 1.873(4) . ? 
Si2 C20 1.877(4) . ? 
Si3 C24 1.863(4) . ? 
Si3 C3 1.863(4) . ? 
Si3 C23 1.875(4) . ? 
Si3 C22 1.878(4) . ? 
N1 C1 1.335(4) . ? 
N1 K 2.796(3) 3 ? 
N2 C1 1.336(4) . ? 
N2 C2 1.402(4) . ? 
N2 K 2.857(3) 3 ? 
C1 C4 1.500(5) . ? 
C1 K 3.208(4) 3 ? 
C2 C3 1.383(5) . ? 
C2 C10 1.493(5) . ? 
C4 C5 1.391(5) . ? 
C4 C9 1.392(5) . ? 
C5 C6 1.378(5) . ? 
C6 C7 1.384(6) . ? 
C7 C8 1.372(6) . ? 
C8 C9 1.376(5) . ? 
C10 C15 1.382(5) . ? 
C10 C11 1.399(5) . ? 
C11 C12 1.380(5) . ? 
C12 C13 1.378(6) . ? 
C13 C14 1.386(6) . ? 
C14 C15 1.366(5) . ? 
  
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 
N1 K N1 106.68(8) 3 . ? 
N1 K N2 47.85(9) 3 3 ? 
N1 K N2 92.82(9) . 3 ? 
N1 K N2 88.62(9) 3 . ? 
N1 K N2 45.71(8) . . ? 
N2 K N2 111.39(7) 3 . ? 
N1 K C1 107.01(10) 3 . ? 
N1 K C1 24.81(9) . . ? 
N2 K C1 111.79(9) 3 . ? 
N2 K C1 24.64(8) . . ? 
N1 K C1 24.47(9) 3 3 ? 
N1 K C1 105.96(10) . 3 ? 
N2 K C1 24.59(8) 3 3 ? 
N2 K C1 105.58(9) . 3 ? 
C1 K C1 116.85(8) . 3 ? 
N1 K K 53.45(7) 3 3 ? 
N1 K K 53.23(7) . 3 ? 
N2 K K 58.67(7) 3 3 ? 
N2 K K 52.72(6) . 3 ? 
C1 K K 58.89(8) . 3 ? 
C1 K K 57.96(7) 3 3 ? 
N1 K Si1 22.38(6) 3 3 ? 
N1 K Si1 119.02(7) . 3 ? 
N2 K Si1 68.56(7) 3 3 ? 
N2 K Si1 86.62(7) . 3 ? 
C1 K Si1 109.91(8) . 3 ? 
C1 K Si1 44.03(7) 3 3 ? 
K K Si1 68.50(4) 3 3 ? 
N1 Si1 C16 112.5(2) . . ? 
N1 Si1 C18 105.3(2) . . ? 
C16 Si1 C18 106.6(2) . . ? 
N1 Si1 C17 116.3(2) . . ? 
C16 Si1 C17 107.5(2) . . ? 
C18 Si1 C17 108.0(2) . . ? 
N1 Si1 K 38.31(10) . 3 ? 
C16 Si1 K 102.30(15) . 3 ? 
C18 Si1 K 73.43(14) . 3 ? 
C17 Si1 K 147.98(14) . 3 ? 
C21 Si2 C3 114.8(2) . . ? 
C21 Si2 C19 103.8(2) . . ? 
C3 Si2 C19 109.0(2) . . ? 
C21 Si2 C20 106.8(2) . . ? 
C3 Si2 C20 115.2(2) . . ? 
C19 Si2 C20 106.3(2) . . ? 
C24 Si3 C3 113.4(2) . . ? 
C24 Si3 C23 107.9(2) . . ? 
C3 Si3 C23 115.2(2) . . ? 
C24 Si3 C22 107.4(2) . . ? 
C3 Si3 C22 108.7(2) . . ? 
C23 Si3 C22 103.4(2) . . ? 
C1 N1 Si1 129.0(3) . . ? 
C1 N1 K 95.3(2) . 3 ? 
Si1 N1 K 119.31(15) . 3 ? 
C1 N1 K 93.4(2) . . ? 
Si1 N1 K 130.06(15) . . ? 
K N1 K 73.32(8) 3 . ? 
C1 N2 C2 121.9(3) . . ? 
C1 N2 K 92.6(2) . 3 ? 
C2 N2 K 143.8(2) . 3 ? 
C1 N2 K 82.3(2) . . ? 
C2 N2 K 122.5(2) . . ? 
K N2 K 68.61(7) 3 . ? 
N1 C1 N2 118.3(3) . . ? 
N1 C1 C4 120.4(3) . . ? 
N2 C1 C4 121.3(3) . . ? 
N1 C1 K 61.8(2) . . ? 
N2 C1 K 73.1(2) . . ? 
C4 C1 K 140.5(2) . . ? 
N1 C1 K 60.2(2) . 3 ? 
N2 C1 K 62.8(2) . 3 ? 
C4 C1 K 155.8(2) . 3 ? 
K C1 K 63.15(8) . 3 ? 
C3 C2 N2 122.7(3) . . ? 
C3 C2 C10 119.8(3) . . ? 
N2 C2 C10 117.3(3) . . ? 
C2 C3 Si3 119.8(3) . . ? 
C2 C3 Si2 121.1(3) . . ? 
Si3 C3 Si2 119.0(2) . . ? 
C5 C4 C9 118.8(3) . . ? 
C5 C4 C1 120.5(3) . . ? 
C9 C4 C1 120.7(3) . . ? 
C6 C5 C4 120.6(4) . . ? 
C5 C6 C7 120.2(4) . . ? 
C8 C7 C6 119.4(4) . . ? 
C7 C8 C9 121.1(4) . . ? 
C8 C9 C4 120.0(4) . . ? 
C15 C10 C11 118.1(3) . . ? 
C15 C10 C2 120.7(3) . . ? 
C11 C10 C2 121.2(3) . . ? 
C12 C11 C10 120.3(3) . . ? 
C13 C12 C11 120.5(4) . . ? 
C12 C13 C14 119.3(4) . . ? 
C15 C14 C13 120.2(4) . . ? 
C14 C15 C10 121.6(4) . . ? 
  
_refine_diff_density_max    0.392 
_refine_diff_density_min   -0.523 
_refine_diff_density_rms    0.080 

#=END

 
data_mar1597 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      '[Sn{N(SiMe3)C(Ph)NC(Ph)=C(SiMe3)2}2]' 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C54 H80 N4 Si6 Sn' 
_chemical_formula_weight          1072.45 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
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                    12.307(3) 
_cell_length_b                    13.096(2) 
_cell_length_c                    19.767(3) 
_cell_angle_alpha                 101.837(10) 
_cell_angle_beta                  103.245(15) 
_cell_angle_gamma                 94.27(2) 
_cell_volume                      3010.4(10) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       7 
_cell_measurement_theta_max       10 
  
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.70 
_exptl_crystal_size_mid           0.60 
_exptl_crystal_size_min           0.60 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.183 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1132 
_exptl_absorpt_coefficient_mu     0.579 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.90 
_exptl_absorpt_correction_T_max   1.00 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(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        ' Enraf-Nonius CAD4' 
_diffrn_measurement_method        \w--2\q 
_diffrn_standards_number          2 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   120 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             10592 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0827 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -23 
_diffrn_reflns_limit_l_max        22 
_diffrn_reflns_theta_min          2.13 
_diffrn_reflns_theta_max          24.97 
_reflns_number_total              10592 
_reflns_number_observed           7536 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Enraf-Nonius CAD4' 
_computing_cell_refinement        'Enraf-Nonius CAD4' 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'CAMERON (Watkin and Pearce,1993)' 
_computing_publication_material   SHELXL-93 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0375P)^2^+0.0000P] 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     riding 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          10592 
_refine_ls_number_parameters      597 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0834 
_refine_ls_R_factor_obs           0.0498 
_refine_ls_wR_factor_all          0.1113 
_refine_ls_wR_factor_obs          0.0973 
_refine_ls_goodness_of_fit_all    1.034 
_refine_ls_goodness_of_fit_obs    1.082 
_refine_ls_restrained_S_all       1.034 
_refine_ls_restrained_S_obs       1.082 
_refine_ls_shift/esd_max          -0.001 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Sn Sn 0.17241(2) 0.50668(2) 0.35371(2) 0.03758(10) Uani 1 d . . 
Si1 Si 0.42618(11) 0.40735(11) 0.31579(8) 0.0525(3) Uani 1 d . . 
Si2 Si -0.16647(11) 0.12332(10) 0.29897(8) 0.0539(4) Uani 1 d . . 
Si3 Si 0.05698(12) 0.23223(10) 0.42086(7) 0.0532(4) Uani 1 d . . 
Si4 Si -0.11279(10) 0.54795(10) 0.27102(7) 0.0426(3) Uani 1 d . . 
Si5 Si 0.32684(11) 0.83182(10) 0.39502(7) 0.0480(3) Uani 1 d . . 
Si6 Si 0.49695(10) 0.81043(11) 0.29210(7) 0.0487(3) Uani 1 d . . 
N1 N 0.2789(3) 0.4044(3) 0.2958(2) 0.0412(8) Uani 1 d . . 
N2 N 0.1118(3) 0.3251(2) 0.2973(2) 0.0354(8) Uani 1 d . . 
N3 N 0.0290(3) 0.5418(2) 0.2700(2) 0.0370(8) Uani 1 d . . 
N4 N 0.1997(3) 0.6292(2) 0.2826(2) 0.0337(8) Uani 1 d . . 
C1 C 0.2044(4) 0.3175(3) 0.2752(2) 0.0391(10) Uani 1 d . . 
C2 C 0.2255(4) 0.2196(3) 0.2297(2) 0.0446(11) Uani 1 d . . 
C3 C 0.2210(4) 0.1241(4) 0.2500(3) 0.0591(14) Uani 1 d . . 
H3 H 0.2059(4) 0.1211(4) 0.2936(3) 0.076(18) Uiso 1 calc R . 
C4 C 0.2388(5) 0.0334(4) 0.2061(4) 0.076(2) Uani 1 d . . 
H4 H 0.2375(5) -0.0297(4) 0.2206(4) 0.092 Uiso 1 calc R . 
C5 C 0.2582(6) 0.0371(5) 0.1416(4) 0.092(2) Uani 1 d . . 
H5 H 0.2699(6) -0.0240(5) 0.1121(4) 0.111 Uiso 1 calc R . 
C6 C 0.2608(5) 0.1296(5) 0.1194(4) 0.091(2) Uani 1 d . . 
H6 H 0.2728(5) 0.1313(5) 0.0749(4) 0.091(20) Uiso 1 calc R . 
C7 C 0.2452(4) 0.2210(4) 0.1644(3) 0.0637(14) Uani 1 d . . 
H7 H 0.2481(4) 0.2841(4) 0.1499(3) 0.076 Uiso 1 calc R . 
C8 C 0.0191(3) 0.2433(3) 0.2757(2) 0.0369(10) Uani 1 d . . 
C9 C -0.0254(3) 0.2121(3) 0.1964(2) 0.0400(10) Uani 1 d . . 
C10 C -0.0473(4) 0.1080(4) 0.1603(2) 0.0523(12) Uani 1 d . . 
H10 H -0.0359(4) 0.0559(4) 0.1860(2) 0.063 Uiso 1 calc R . 
C11 C -0.0860(5) 0.0793(4) 0.0870(3) 0.070(2) Uani 1 d . . 
H11 H -0.1006(5) 0.0085(4) 0.0638(3) 0.085 Uiso 1 calc R . 
C12 C -0.1029(5) 0.1551(5) 0.0481(3) 0.077(2) Uani 1 d . . 
H12 H -0.1291(5) 0.1360(5) -0.0013(3) 0.095(19) Uiso 1 calc R . 
C13 C -0.0808(4) 0.2588(4) 0.0829(3) 0.0656(15) Uani 1 d . . 
H13 H -0.0927(4) 0.3103(4) 0.0568(3) 0.076(17) Uiso 1 calc R . 
C14 C -0.0413(4) 0.2880(4) 0.1559(2) 0.0486(11) Uani 1 d . . 
H14 H -0.0249(4) 0.3590(4) 0.1785(2) 0.049(13) Uiso 1 calc R . 
C15 C -0.0229(3) 0.2040(3) 0.3234(2) 0.0400(10) Uani 1 d . . 
C16 C 0.0924(3) 0.6091(3) 0.2480(2) 0.0319(9) Uani 1 d . . 
C17 C 0.0437(3) 0.6561(3) 0.1865(2) 0.0343(9) Uani 1 d . . 
C18 C 0.0011(4) 0.5909(4) 0.1194(2) 0.0476(11) Uani 1 d . . 
H18 H 0.0015(4) 0.5186(4) 0.1136(2) 0.047(12) Uiso 1 calc R . 
C19 C -0.0414(4) 0.6304(4) 0.0614(3) 0.0619(14) Uani 1 d . . 
H19 H -0.0678(4) 0.5855(4) 0.0165(3) 0.075(17) Uiso 1 calc R . 
C20 C -0.0450(4) 0.7369(5) 0.0695(3) 0.069(2) Uani 1 d . . 
H20 H -0.0754(4) 0.7641(5) 0.0304(3) 0.083 Uiso 1 calc R . 
C21 C -0.0037(5) 0.8027(4) 0.1357(3) 0.072(2) Uani 1 d . . 
H21 H -0.0060(5) 0.8747(4) 0.1413(3) 0.122(24) Uiso 1 calc R . 
C22 C 0.0416(4) 0.7627(4) 0.1943(3) 0.0554(13) Uani 1 d . . 
H22 H 0.0706(4) 0.8080(4) 0.2388(3) 0.075(17) Uiso 1 calc R . 
C23 C 0.2829(3) 0.6865(3) 0.2613(2) 0.0332(9) Uani 1 d . . 
C24 C 0.2855(3) 0.6468(3) 0.1857(2) 0.0349(9) Uani 1 d . . 
C25 C 0.2768(3) 0.5390(4) 0.1568(2) 0.0450(11) Uani 1 d . . 
H25 H 0.2693(3) 0.4912(4) 0.1848(2) 0.060(15) Uiso 1 calc R . 
C26 C 0.2795(4) 0.5035(4) 0.0863(3) 0.0584(13) Uani 1 d . . 
H26 H 0.2753(4) 0.4317(4) 0.0675(3) 0.070 Uiso 1 calc R . 
C27 C 0.2885(4) 0.5726(5) 0.0439(3) 0.068(2) Uani 1 d . . 
H27 H 0.2909(4) 0.5478(5) -0.0032(3) 0.075(16) Uiso 1 calc R . 
C28 C 0.2938(4) 0.6787(4) 0.0710(3) 0.0615(14) Uani 1 d . . 
H28 H 0.2985(4) 0.7257(4) 0.0420(3) 0.074 Uiso 1 calc R . 
C29 C 0.2921(3) 0.7153(4) 0.1412(2) 0.0449(11) Uani 1 d . . 
H29 H 0.2954(3) 0.7873(4) 0.1591(2) 0.054 Uiso 1 calc R . 
C30 C 0.3571(3) 0.7662(3) 0.3080(2) 0.0379(10) Uani 1 d . . 
C31 C 0.4874(4) 0.3955(5) 0.2374(3) 0.079(2) Uani 1 d . . 
H31A H 0.4584(4) 0.3288(5) 0.2049(3) 0.118 Uiso 1 calc R . 
H31B H 0.5678(4) 0.4005(5) 0.2531(3) 0.118 Uiso 1 calc R . 
H31C H 0.4676(4) 0.4511(5) 0.2138(3) 0.118 Uiso 1 calc R . 
C32 C 0.4827(4) 0.5363(4) 0.3780(3) 0.088(2) Uani 1 d . . 
H32A H 0.4514(4) 0.5429(4) 0.4187(3) 0.133 Uiso 1 calc R . 
H32B H 0.4629(4) 0.5917(4) 0.3542(3) 0.133 Uiso 1 calc R . 
H32C H 0.5632(4) 0.5410(4) 0.3934(3) 0.133 Uiso 1 calc R . 
C33 C 0.4730(5) 0.3011(5) 0.3611(4) 0.103(2) Uani 1 d . . 
H33A H 0.4441(5) 0.2338(5) 0.3293(4) 0.155 Uiso 1 calc R . 
H33B H 0.4453(5) 0.3065(5) 0.4032(4) 0.155 Uiso 1 calc R . 
H33C H 0.5538(5) 0.3081(5) 0.3743(4) 0.155 Uiso 1 calc R . 
C34 C -0.2695(4) 0.1520(4) 0.2212(3) 0.078(2) Uani 1 d . . 
H34A H -0.2414(4) 0.1357(4) 0.1793(3) 0.117 Uiso 1 calc R . 
H34B H -0.2794(4) 0.2251(4) 0.2314(3) 0.117 Uiso 1 calc R . 
H34C H -0.3405(4) 0.1098(4) 0.2132(3) 0.117 Uiso 1 calc R . 
C35 C -0.2348(5) 0.1594(5) 0.3749(3) 0.085(2) Uani 1 d . . 
H35A H -0.1875(5) 0.1472(5) 0.4176(3) 0.127 Uiso 1 calc R . 
H35B H -0.3064(5) 0.1171(5) 0.3639(3) 0.127 Uiso 1 calc R . 
H35C H -0.2454(5) 0.2324(5) 0.3821(3) 0.127 Uiso 1 calc R . 
C36 C -0.1557(5) -0.0222(4) 0.2825(3) 0.079(2) Uani 1 d . . 
H36A H -0.1029(5) -0.0366(4) 0.3223(3) 0.119 Uiso 1 calc R . 
H36B H -0.1304(5) -0.0438(4) 0.2399(3) 0.119 Uiso 1 calc R . 
H36C H -0.2281(5) -0.0601(4) 0.2769(3) 0.119 Uiso 1 calc R . 
C37 C 0.0069(6) 0.3424(4) 0.4763(3) 0.086(2) Uani 1 d . . 
H37A H 0.0158(6) 0.4047(4) 0.4586(3) 0.129 Uiso 1 calc R . 
H37B H 0.0502(6) 0.3551(4) 0.5249(3) 0.129 Uiso 1 calc R . 
H37C H -0.0711(6) 0.3244(4) 0.4741(3) 0.129 Uiso 1 calc R . 
C38 C 0.2138(4) 0.2639(5) 0.4405(3) 0.081(2) Uani 1 d . . 
H38A H 0.2435(4) 0.2089(5) 0.4129(3) 0.122 Uiso 1 calc R . 
H38B H 0.2462(4) 0.2699(5) 0.4904(3) 0.122 Uiso 1 calc R . 
H38C H 0.2318(4) 0.3293(5) 0.4283(3) 0.122 Uiso 1 calc R . 
C39 C 0.0396(5) 0.1106(4) 0.4555(3) 0.083(2) Uani 1 d . . 
H39A H 0.0655(5) 0.0537(4) 0.4269(3) 0.124 Uiso 1 calc R . 
H39B H -0.0384(5) 0.0926(4) 0.4533(3) 0.124 Uiso 1 calc R . 
H39C H 0.0829(5) 0.1233(4) 0.5042(3) 0.124 Uiso 1 calc R . 
C40 C -0.1314(4) 0.6838(4) 0.3127(3) 0.0660(15) Uani 1 d . . 
H40A H -0.1153(4) 0.7306(4) 0.2837(3) 0.099 Uiso 1 calc R . 
H40B H -0.0809(4) 0.7056(4) 0.3594(3) 0.099 Uiso 1 calc R . 
H40C H -0.2076(4) 0.6856(4) 0.3167(3) 0.099 Uiso 1 calc R . 
C41 C -0.2152(4) 0.5072(5) 0.1817(3) 0.075(2) Uani 1 d . . 
H41A H -0.1994(4) 0.5529(5) 0.1520(3) 0.113 Uiso 1 calc R . 
H41B H -0.2903(4) 0.5115(5) 0.1874(3) 0.113 Uiso 1 calc R . 
H41C H -0.2087(4) 0.4361(5) 0.1599(3) 0.113 Uiso 1 calc R . 
C42 C -0.1442(4) 0.4592(4) 0.3278(3) 0.0613(14) Uani 1 d . . 
H42A H -0.1348(4) 0.3886(4) 0.3067(3) 0.092 Uiso 1 calc R . 
H42B H -0.2204(4) 0.4616(4) 0.3317(3) 0.092 Uiso 1 calc R . 
H42C H -0.0937(4) 0.4815(4) 0.3744(3) 0.092 Uiso 1 calc R . 
C43 C 0.3980(4) 0.7814(4) 0.4730(2) 0.0661(14) Uani 1 d . . 
H43A H 0.4770(4) 0.7835(4) 0.4754(2) 0.099 Uiso 1 calc R . 
H43B H 0.3661(4) 0.7102(4) 0.4679(2) 0.099 Uiso 1 calc R . 
H43C H 0.3876(4) 0.8245(4) 0.5161(2) 0.099 Uiso 1 calc R . 
C44 C 0.1747(4) 0.8239(5) 0.3959(3) 0.077(2) Uani 1 d . . 
H44A H 0.1332(4) 0.8491(5) 0.3566(3) 0.115 Uiso 1 calc R . 
H44B H 0.1671(4) 0.8664(5) 0.4399(3) 0.115 Uiso 1 calc R . 
H44C H 0.1456(4) 0.7522(5) 0.3917(3) 0.115 Uiso 1 calc R . 
C45 C 0.3721(5) 0.9764(4) 0.4112(3) 0.073(2) Uani 1 d . . 
H45A H 0.3352(5) 1.0020(4) 0.3708(3) 0.110 Uiso 1 calc R . 
H45B H 0.4522(5) 0.9887(4) 0.4178(3) 0.110 Uiso 1 calc R . 
H45C H 0.3523(5) 1.0126(4) 0.4531(3) 0.110 Uiso 1 calc R . 
C46 C 0.6059(4) 0.8385(4) 0.3789(3) 0.070(2) Uani 1 d . . 
H46A H 0.5846(4) 0.8915(4) 0.4130(3) 0.105 Uiso 1 calc R . 
H46B H 0.6772(4) 0.8631(4) 0.3720(3) 0.105 Uiso 1 calc R . 
H46C H 0.6121(4) 0.7754(4) 0.3964(3) 0.105 Uiso 1 calc R . 
C47 C 0.4997(4) 0.9318(4) 0.2561(3) 0.075(2) Uani 1 d . . 
H47A H 0.4720(4) 0.9862(4) 0.2856(3) 0.113 Uiso 1 calc R . 
H47B H 0.4530(4) 0.9166(4) 0.2083(3) 0.113 Uiso 1 calc R . 
H47C H 0.5756(4) 0.9548(4) 0.2560(3) 0.113 Uiso 1 calc R . 
C48 C 0.5512(4) 0.7078(4) 0.2334(3) 0.0662(15) Uani 1 d . . 
H48A H 0.4998(4) 0.6882(4) 0.1870(3) 0.099 Uiso 1 calc R . 
H48B H 0.5584(4) 0.6472(4) 0.2536(3) 0.099 Uiso 1 calc R . 
H48C H 0.6235(4) 0.7348(4) 0.2293(3) 0.099 Uiso 1 calc R . 
C49 C 0.4732(12) 0.3199(10) 0.0249(9) 0.149(4) Uani 1 d . . 
H49 H 0.4837(12) 0.3893(10) 0.0508(9) 0.179 Uiso 1 calc R . 
C50 C 0.5341(11) 0.2541(14) 0.0491(5) 0.145(4) Uani 1 d . . 
H50 H 0.5881(11) 0.2772(14) 0.0923(5) 0.175 Uiso 1 calc R . 
C51 C 0.3939(12) 0.2907(15) -0.0375(9) 0.163(5) Uani 1 d . . 
H51 H 0.3513(12) 0.3393(15) -0.0556(9) 0.195 Uiso 1 calc R . 
C52 C 0.3782(15) 0.1893(18) -0.0730(7) 0.208(8) Uani 1 d . . 
H52 H 0.3259(15) 0.1688(18) -0.1170(7) 0.250 Uiso 1 calc R . 
C53 C 0.5231(14) 0.1546(13) 0.0151(11) 0.211(6) Uani 1 d . . 
H53 H 0.5724(14) 0.1098(13) 0.0318(11) 0.253 Uiso 1 calc R . 
C54 C 0.4351(21) 0.1176(13) -0.0471(12) 0.263(11) Uani 1 d . . 
H54 H 0.4177(21) 0.0464(13) -0.0690(12) 0.315 Uiso 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 
Sn 0.0414(2) 0.0359(2) 0.0351(2) 0.01091(13) 0.00645(13) 0.00510(12) 
Si1 0.0422(7) 0.0496(8) 0.0652(9) 0.0191(7) 0.0074(7) 0.0066(6) 
Si2 0.0544(8) 0.0423(8) 0.0680(9) 0.0126(7) 0.0239(7) -0.0009(6) 
Si3 0.0762(10) 0.0434(8) 0.0447(8) 0.0198(6) 0.0150(7) 0.0101(7) 
Si4 0.0336(6) 0.0427(7) 0.0514(8) 0.0140(6) 0.0082(6) 0.0028(5) 
Si5 0.0495(8) 0.0480(8) 0.0381(7) -0.0005(6) 0.0048(6) 0.0024(6) 
Si6 0.0353(7) 0.0544(8) 0.0529(8) 0.0154(7) 0.0050(6) -0.0051(6) 
N1 0.038(2) 0.033(2) 0.053(2) 0.013(2) 0.011(2) 0.002(2) 
N2 0.039(2) 0.030(2) 0.038(2) 0.012(2) 0.007(2) 0.0049(15) 
N3 0.035(2) 0.031(2) 0.043(2) 0.012(2) 0.005(2) 0.0012(15) 
N4 0.032(2) 0.032(2) 0.035(2) 0.0068(15) 0.0060(15) 0.0011(14) 
C1 0.045(3) 0.036(2) 0.040(2) 0.021(2) 0.006(2) 0.009(2) 
C2 0.044(3) 0.039(3) 0.049(3) 0.007(2) 0.011(2) 0.006(2) 
C3 0.058(3) 0.040(3) 0.080(4) 0.014(3) 0.015(3) 0.019(2) 
C4 0.075(4) 0.043(3) 0.104(5) 0.009(3) 0.011(4) 0.020(3) 
C5 0.105(5) 0.054(4) 0.097(5) -0.017(4) 0.006(4) 0.030(4) 
C6 0.118(6) 0.086(5) 0.067(4) -0.001(4) 0.034(4) 0.022(4) 
C7 0.072(4) 0.052(3) 0.062(3) 0.004(3) 0.015(3) 0.007(3) 
C8 0.042(2) 0.028(2) 0.041(2) 0.010(2) 0.007(2) 0.008(2) 
C9 0.043(2) 0.037(2) 0.039(2) 0.008(2) 0.008(2) 0.003(2) 
C10 0.064(3) 0.039(3) 0.052(3) 0.012(2) 0.011(2) 0.003(2) 
C11 0.093(4) 0.052(3) 0.051(3) -0.003(3) 0.004(3) -0.003(3) 
C12 0.104(5) 0.078(4) 0.037(3) 0.003(3) 0.001(3) 0.007(4) 
C13 0.090(4) 0.054(3) 0.045(3) 0.016(3) 0.000(3) 0.003(3) 
C14 0.054(3) 0.043(3) 0.041(3) 0.008(2) -0.002(2) -0.001(2) 
C15 0.050(3) 0.028(2) 0.044(3) 0.011(2) 0.014(2) 0.005(2) 
C16 0.038(2) 0.021(2) 0.036(2) 0.003(2) 0.009(2) 0.006(2) 
C17 0.033(2) 0.030(2) 0.040(2) 0.012(2) 0.005(2) 0.003(2) 
C18 0.053(3) 0.039(3) 0.046(3) 0.013(2) 0.004(2) 0.000(2) 
C19 0.067(3) 0.069(4) 0.042(3) 0.018(3) -0.002(3) -0.002(3) 
C20 0.078(4) 0.077(4) 0.060(4) 0.039(3) 0.010(3) 0.023(3) 
C21 0.104(5) 0.048(3) 0.071(4) 0.030(3) 0.019(3) 0.029(3) 
C22 0.076(3) 0.041(3) 0.048(3) 0.012(2) 0.009(3) 0.014(2) 
C23 0.034(2) 0.035(2) 0.033(2) 0.011(2) 0.010(2) 0.008(2) 
C24 0.028(2) 0.042(3) 0.033(2) 0.010(2) 0.004(2) 0.002(2) 
C25 0.045(3) 0.047(3) 0.039(3) 0.002(2) 0.009(2) 0.006(2) 
C26 0.068(3) 0.055(3) 0.048(3) 0.001(3) 0.015(3) 0.010(3) 
C27 0.071(4) 0.094(5) 0.037(3) 0.004(3) 0.017(3) 0.012(3) 
C28 0.069(3) 0.076(4) 0.045(3) 0.026(3) 0.015(3) 0.008(3) 
C29 0.049(3) 0.046(3) 0.040(3) 0.012(2) 0.009(2) 0.004(2) 
C30 0.033(2) 0.042(2) 0.035(2) 0.007(2) 0.002(2) 0.001(2) 
C31 0.051(3) 0.102(5) 0.086(4) 0.018(4) 0.025(3) 0.015(3) 
C32 0.051(3) 0.081(4) 0.113(5) 0.005(4) 0.000(3) -0.001(3) 
C33 0.068(4) 0.098(5) 0.154(7) 0.077(5) -0.001(4) 0.022(4) 
C34 0.054(3) 0.078(4) 0.101(5) 0.027(4) 0.014(3) 0.002(3) 
C35 0.070(4) 0.090(5) 0.104(5) 0.017(4) 0.046(4) 0.007(3) 
C36 0.084(4) 0.045(3) 0.108(5) 0.012(3) 0.033(4) -0.005(3) 
C37 0.140(6) 0.066(4) 0.046(3) 0.002(3) 0.017(3) 0.025(4) 
C38 0.085(4) 0.088(4) 0.066(4) 0.042(3) -0.008(3) 0.002(3) 
C39 0.117(5) 0.066(4) 0.080(4) 0.042(3) 0.029(4) 0.020(3) 
C40 0.056(3) 0.055(3) 0.091(4) 0.018(3) 0.024(3) 0.019(3) 
C41 0.042(3) 0.110(5) 0.067(4) 0.018(3) 0.003(3) 0.004(3) 
C42 0.056(3) 0.056(3) 0.084(4) 0.029(3) 0.033(3) 0.007(2) 
C43 0.082(4) 0.069(4) 0.045(3) 0.011(3) 0.013(3) 0.008(3) 
C44 0.068(4) 0.089(4) 0.058(3) -0.017(3) 0.016(3) 0.007(3) 
C45 0.096(4) 0.043(3) 0.067(4) -0.008(3) 0.014(3) 0.003(3) 
C46 0.044(3) 0.082(4) 0.073(4) 0.018(3) -0.003(3) -0.008(3) 
C47 0.052(3) 0.078(4) 0.103(5) 0.044(4) 0.018(3) -0.008(3) 
C48 0.038(3) 0.086(4) 0.076(4) 0.016(3) 0.016(3) 0.011(3) 
C49 0.154(11) 0.146(10) 0.175(14) 0.030(10) 0.090(10) 0.057(9) 
C50 0.168(11) 0.165(12) 0.104(7) 0.019(9) 0.054(7) -0.008(10) 
C51 0.135(10) 0.259(18) 0.126(10) 0.067(10) 0.056(8) 0.085(10) 
C52 0.262(18) 0.240(20) 0.095(9) -0.010(12) 0.063(10) -0.056(16) 
C53 0.282(19) 0.121(12) 0.228(17) 0.069(11) 0.047(14) -0.009(11) 
C54 0.401(32) 0.120(12) 0.219(21) 0.018(12) 0.024(18) -0.049(15) 
  
_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 
Sn N1 2.267(3) . ? 
Sn N3 2.271(3) . ? 
Sn N2 2.391(3) . ? 
Sn N4 2.393(3) . ? 
Si1 N1 1.760(3) . ? 
Si1 C32 1.851(6) . ? 
Si1 C31 1.856(5) . ? 
Si1 C33 1.862(5) . ? 
Si2 C34 1.878(5) . ? 
Si2 C35 1.879(5) . ? 
Si2 C36 1.886(5) . ? 
Si2 C15 1.896(4) . ? 
Si3 C37 1.859(5) . ? 
Si3 C39 1.875(5) . ? 
Si3 C38 1.875(6) . ? 
Si3 C15 1.897(4) . ? 
Si4 N3 1.758(3) . ? 
Si4 C42 1.850(5) . ? 
Si4 C40 1.856(5) . ? 
Si4 C41 1.866(5) . ? 
Si5 C43 1.862(5) . ? 
Si5 C44 1.872(5) . ? 
Si5 C45 1.874(5) . ? 
Si5 C30 1.890(4) . ? 
Si6 C48 1.857(5) . ? 
Si6 C46 1.869(5) . ? 
Si6 C47 1.870(5) . ? 
Si6 C30 1.890(4) . ? 
N1 C1 1.336(5) . ? 
N2 C1 1.314(5) . ? 
N2 C8 1.428(5) . ? 
N3 C16 1.336(5) . ? 
N4 C16 1.319(5) . ? 
N4 C23 1.415(5) . ? 
C1 C2 1.485(6) . ? 
C2 C7 1.369(6) . ? 
C2 C3 1.391(6) . ? 
C3 C4 1.383(7) . ? 
C4 C5 1.359(9) . ? 
C5 C6 1.370(8) . ? 
C6 C7 1.392(7) . ? 
C8 C15 1.343(5) . ? 
C8 C9 1.494(6) . ? 
C9 C10 1.379(6) . ? 
C9 C14 1.397(6) . ? 
C10 C11 1.380(6) . ? 
C11 C12 1.374(7) . ? 
C12 C13 1.367(7) . ? 
C13 C14 1.373(6) . ? 
C16 C17 1.498(5) . ? 
C17 C22 1.376(6) . ? 
C17 C18 1.384(6) . ? 
C18 C19 1.364(6) . ? 
C19 C20 1.376(7) . ? 
C20 C21 1.370(7) . ? 
C21 C22 1.387(6) . ? 
C23 C30 1.360(5) . ? 
C23 C24 1.486(5) . ? 
C24 C29 1.391(5) . ? 
C24 C25 1.397(6) . ? 
C25 C26 1.385(6) . ? 
C26 C27 1.368(7) . ? 
C27 C28 1.373(7) . ? 
C28 C29 1.377(6) . ? 
C49 C50 1.279(12) . ? 
C49 C51 1.349(13) . ? 
C50 C53 1.319(14) . ? 
C51 C52 1.34(2) . ? 
C52 C54 1.33(2) . ? 
C53 C54 1.41(2) . ? 
  
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 
N1 Sn N3 107.75(12) . . ? 
N1 Sn N2 57.49(11) . . ? 
N3 Sn N2 86.37(11) . . ? 
N1 Sn N4 87.07(11) . . ? 
N3 Sn N4 57.65(11) . . ? 
N2 Sn N4 119.56(11) . . ? 
N1 Si1 C32 105.3(2) . . ? 
N1 Si1 C31 114.7(2) . . ? 
C32 Si1 C31 109.0(3) . . ? 
N1 Si1 C33 111.7(2) . . ? 
C32 Si1 C33 108.8(3) . . ? 
C31 Si1 C33 107.1(3) . . ? 
C34 Si2 C35 103.5(3) . . ? 
C34 Si2 C36 109.6(3) . . ? 
C35 Si2 C36 108.4(3) . . ? 
C34 Si2 C15 114.5(2) . . ? 
C35 Si2 C15 108.7(2) . . ? 
C36 Si2 C15 111.6(2) . . ? 
C37 Si3 C39 109.4(3) . . ? 
C37 Si3 C38 106.5(3) . . ? 
C39 Si3 C38 102.9(3) . . ? 
C37 Si3 C15 112.0(2) . . ? 
C39 Si3 C15 109.1(2) . . ? 
C38 Si3 C15 116.4(2) . . ? 
N3 Si4 C42 105.9(2) . . ? 
N3 Si4 C40 109.7(2) . . ? 
C42 Si4 C40 108.7(2) . . ? 
N3 Si4 C41 115.1(2) . . ? 
C42 Si4 C41 109.0(3) . . ? 
C40 Si4 C41 108.2(3) . . ? 
C43 Si5 C44 105.6(3) . . ? 
C43 Si5 C45 109.8(2) . . ? 
C44 Si5 C45 103.7(3) . . ? 
C43 Si5 C30 114.0(2) . . ? 
C44 Si5 C30 115.6(2) . . ? 
C45 Si5 C30 107.5(2) . . ? 
C48 Si6 C46 103.7(2) . . ? 
C48 Si6 C47 107.8(3) . . ? 
C46 Si6 C47 107.5(2) . . ? 
C48 Si6 C30 114.2(2) . . ? 
C46 Si6 C30 108.5(2) . . ? 
C47 Si6 C30 114.5(2) . . ? 
C1 N1 Si1 125.4(3) . . ? 
C1 N1 Sn 95.9(3) . . ? 
Si1 N1 Sn 129.2(2) . . ? 
C1 N2 C8 123.3(3) . . ? 
C1 N2 Sn 90.9(2) . . ? 
C8 N2 Sn 145.0(3) . . ? 
C16 N3 Si4 125.5(3) . . ? 
C16 N3 Sn 95.6(2) . . ? 
Si4 N3 Sn 129.3(2) . . ? 
C16 N4 C23 124.4(3) . . ? 
C16 N4 Sn 90.6(2) . . ? 
C23 N4 Sn 143.3(2) . . ? 
N2 C1 N1 115.6(4) . . ? 
N2 C1 C2 122.7(4) . . ? 
N1 C1 C2 121.6(4) . . ? 
C7 C2 C3 118.3(5) . . ? 
C7 C2 C1 119.9(4) . . ? 
C3 C2 C1 121.7(4) . . ? 
C4 C3 C2 120.8(6) . . ? 
C5 C4 C3 119.7(6) . . ? 
C4 C5 C6 120.9(6) . . ? 
C5 C6 C7 119.2(6) . . ? 
C2 C7 C6 121.2(5) . . ? 
C15 C8 N2 121.8(4) . . ? 
C15 C8 C9 125.8(4) . . ? 
N2 C8 C9 112.3(3) . . ? 
C10 C9 C14 117.6(4) . . ? 
C10 C9 C8 121.4(4) . . ? 
C14 C9 C8 121.0(4) . . ? 
C9 C10 C11 121.4(5) . . ? 
C12 C11 C10 120.2(5) . . ? 
C13 C12 C11 119.3(5) . . ? 
C12 C13 C14 120.9(5) . . ? 
C13 C14 C9 120.7(4) . . ? 
C8 C15 Si2 122.6(3) . . ? 
C8 C15 Si3 121.1(3) . . ? 
Si2 C15 Si3 116.2(2) . . ? 
N4 C16 N3 116.0(3) . . ? 
N4 C16 C17 122.7(3) . . ? 
N3 C16 C17 121.3(3) . . ? 
C22 C17 C18 118.6(4) . . ? 
C22 C17 C16 122.1(4) . . ? 
C18 C17 C16 119.3(4) . . ? 
C19 C18 C17 121.3(4) . . ? 
C18 C19 C20 119.9(5) . . ? 
C21 C20 C19 119.5(5) . . ? 
C20 C21 C22 120.5(5) . . ? 
C17 C22 C21 120.0(5) . . ? 
C30 C23 N4 122.0(4) . . ? 
C30 C23 C24 124.1(4) . . ? 
N4 C23 C24 113.8(3) . . ? 
C29 C24 C25 118.1(4) . . ? 
C29 C24 C23 121.2(4) . . ? 
C25 C24 C23 120.7(4) . . ? 
C26 C25 C24 119.9(5) . . ? 
C27 C26 C25 120.8(5) . . ? 
C26 C27 C28 120.0(5) . . ? 
C27 C28 C29 119.9(5) . . ? 
C28 C29 C24 121.2(4) . . ? 
C23 C30 Si5 120.4(3) . . ? 
C23 C30 Si6 122.3(3) . . ? 
Si5 C30 Si6 117.2(2) . . ? 
C50 C49 C51 121.3(13) . . ? 
C49 C50 C53 122.3(14) . . ? 
C52 C51 C49 118.2(14) . . ? 
C54 C52 C51 122.0(18) . . ? 
C50 C53 C54 118.8(16) . . ? 
C52 C54 C53 116.8(18) . . ? 
  
_refine_diff_density_max    0.367 
_refine_diff_density_min   -0.635 
_refine_diff_density_rms    0.074