# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1542
 
data_a 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           '391-393' 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C52 H92 N4 O Si4 Sn2' 
_chemical_formula_weight          1139.04 
 
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' 
 'O'  'O'   0.0106   0.0060 
 '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)/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                    12.108(1) 
_cell_length_b                    36.869(3) 
_cell_length_c                    14.320(1) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  105.004(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      6174.7(9) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     294(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        prism 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.36 
_exptl_crystal_size_mid           0.20 
_exptl_crystal_size_min           0.14 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.225 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2384 
_exptl_absorpt_coefficient_mu     0.922 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.8559 
_exptl_absorpt_correction_T_max   1.0000 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       294(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   'CCD area detector' 
_diffrn_measurement_method        'phi and omege scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             42889 
_diffrn_reflns_av_R_equivalents   0.0513 
_diffrn_reflns_av_sigmaI/netI     0.0776 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -48 
_diffrn_reflns_limit_k_max        49 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          1.57 
_diffrn_reflns_theta_max          28.30 
_reflns_number_total              15255 
_reflns_number_gt                 9055 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SHELXTL' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
 
_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^)+(0.0715P)^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     constr 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00033(3) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          15255 
_refine_ls_number_parameters      545 
_refine_ls_number_restraints      9 
_refine_ls_R_factor_all           0.1060 
_refine_ls_R_factor_gt            0.0540 
_refine_ls_wR_factor_ref          0.1435 
_refine_ls_wR_factor_gt           0.1269 
_refine_ls_goodness_of_fit_ref    0.974 
_refine_ls_restrained_S_all       0.977 
_refine_ls_shift/su_max           0.979 
_refine_ls_shift/su_mean          0.023 
 
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 0.894340(11) 0.104431(3) 0.130731(8) 0.03901(3) Uani 1 1 d . . . 
Sn2 Sn 0.880059(11) 0.095392(3) -0.080883(8) 0.04491(4) Uani 1 1 d . . . 
N1 N 0.72281(13) 0.06764(4) 0.24621(10) 0.0523(5) Uani 1 1 d . . . 
N2 N 1.03891(12) 0.06812(4) 0.21083(9) 0.0412(4) Uani 1 1 d . . . 
N3 N 1.07867(13) 0.14064(6) -0.13275(11) 0.0658(6) Uani 1 1 d . . . 
N4 N 0.63970(13) 0.12184(4) -0.22738(10) 0.0481(5) Uani 1 1 d . . . 
Si2 Si 1.23074(5) 0.093387(19) 0.37701(4) 0.0635(2) Uani 1 1 d . . . 
Si1 Si 0.74961(5) 0.039746(17) 0.34893(4) 0.06050(18) Uani 1 1 d . . . 
Si4 Si 0.60175(5) 0.157540(15) -0.31117(4) 0.05664(18) Uani 1 1 d . . . 
Si3 Si 1.20969(5) 0.124933(16) -0.06717(4) 0.05604(17) Uani 1 1 d . . . 
C1 C 1.00728(18) 0.15431(5) 0.31284(13) 0.0546(6) Uani 1 1 d . . . 
C2 C 1.0726(2) 0.18498(6) 0.34299(15) 0.0775(9) Uani 1 1 d . . . 
H2A H 1.1344 0.1897 0.3174 0.093 Uiso 1 1 calc R . . 
C3 C 1.0495(3) 0.20873(7) 0.40938(17) 0.0994(11) Uani 1 1 d . . . 
H3A H 1.0968 0.2286 0.4296 0.119 Uiso 1 1 calc R . . 
C4 C 0.9580(3) 0.20328(6) 0.44552(17) 0.0999(11) Uani 1 1 d . . . 
H4A H 0.9411 0.2195 0.4895 0.120 Uiso 1 1 calc R . . 
C5 C 0.8914(2) 0.17360(6) 0.41629(15) 0.0841(9) Uani 1 1 d . . . 
H5A H 0.8301 0.1695 0.4429 0.101 Uiso 1 1 calc R . . 
C6 C 0.91125(19) 0.14885(5) 0.34756(13) 0.0565(6) Uani 1 1 d . . . 
C7 C 0.82547(17) 0.11936(5) 0.31903(13) 0.0522(6) Uani 1 1 d . . . 
H7A H 0.7796 0.1162 0.3614 0.063 Uiso 1 1 calc R . . 
C8 C 0.80152(16) 0.09628(5) 0.24307(12) 0.0470(5) Uani 1 1 d . . . 
C9 C 0.62429(18) 0.06267(6) 0.15893(15) 0.0660(7) Uani 1 1 d . . . 
C10 C 0.5866(2) 0.09815(7) 0.1087(2) 0.0917(10) Uani 1 1 d . . . 
H10A H 0.6490 0.1088 0.0884 0.138 Uiso 1 1 calc R . . 
H10B H 0.5630 0.1143 0.1524 0.138 Uiso 1 1 calc R . . 
H10C H 0.5236 0.0940 0.0532 0.138 Uiso 1 1 calc R . . 
C11 C 0.5202(2) 0.04682(9) 0.18979(19) 0.0986(11) Uani 1 1 d . . . 
H11A H 0.4989 0.0630 0.2346 0.148 Uiso 1 1 calc R . . 
H11B H 0.5403 0.0237 0.2200 0.148 Uiso 1 1 calc R . . 
H11C H 0.4570 0.0440 0.1338 0.148 Uiso 1 1 calc R . . 
C12 C 0.6559(2) 0.03564(6) 0.08756(15) 0.0733(8) Uani 1 1 d . . . 
H12A H 0.7197 0.0449 0.0667 0.110 Uiso 1 1 calc R . . 
H12B H 0.5917 0.0325 0.0326 0.110 Uiso 1 1 calc R . . 
H12C H 0.6761 0.0127 0.1191 0.110 Uiso 1 1 calc R . . 
C13 C 0.7516(2) -0.00876(6) 0.31714(17) 0.0827(9) Uani 1 1 d . . . 
H13A H 0.6795 -0.0153 0.2740 0.124 Uiso 1 1 calc R . . 
H13B H 0.7645 -0.0232 0.3748 0.124 Uiso 1 1 calc R . . 
H13C H 0.8118 -0.0130 0.2861 0.124 Uiso 1 1 calc R . . 
C14 C 0.6460(2) 0.04464(9) 0.42408(16) 0.1020(10) Uani 1 1 d . . . 
H14A H 0.5700 0.0400 0.3850 0.153 Uiso 1 1 calc R . . 
H14B H 0.6500 0.0688 0.4495 0.153 Uiso 1 1 calc R . . 
H14C H 0.6645 0.0276 0.4765 0.153 Uiso 1 1 calc R . . 
C15 C 0.8923(2) 0.04936(6) 0.43283(15) 0.0793(9) Uani 1 1 d . . . 
H15A H 0.9504 0.0471 0.3986 0.119 Uiso 1 1 calc R . . 
H15B H 0.9069 0.0324 0.4854 0.119 Uiso 1 1 calc R . . 
H15C H 0.8930 0.0736 0.4577 0.119 Uiso 1 1 calc R . . 
C16 C 1.03769(16) 0.12939(5) 0.24065(12) 0.0458(5) Uani 1 1 d . . . 
H16A H 1.0853 0.1429 0.2067 0.055 Uiso 1 1 calc R . . 
C17 C 1.09353(16) 0.09213(5) 0.26930(12) 0.0478(5) Uani 1 1 d . . . 
C18 C 1.06932(17) 0.02899(5) 0.20095(13) 0.0522(6) Uani 1 1 d . . . 
C19 C 1.17674(18) 0.02742(6) 0.16276(15) 0.0699(7) Uani 1 1 d . . . 
H19A H 1.1639 0.0411 0.1039 0.105 Uiso 1 1 calc R . . 
H19B H 1.1930 0.0027 0.1505 0.105 Uiso 1 1 calc R . . 
H19C H 1.2404 0.0375 0.2101 0.105 Uiso 1 1 calc R . . 
C20 C 1.0837(2) 0.00784(6) 0.29418(16) 0.0756(8) Uani 1 1 d . . . 
H20A H 1.0148 0.0095 0.3153 0.113 Uiso 1 1 calc R . . 
H20B H 1.1463 0.0178 0.3429 0.113 Uiso 1 1 calc R . . 
H20C H 1.0991 -0.0171 0.2833 0.113 Uiso 1 1 calc R . . 
C21 C 0.9671(2) 0.01296(6) 0.12618(18) 0.0827(9) Uani 1 1 d . . . 
H21A H 0.9004 0.0141 0.1506 0.124 Uiso 1 1 calc R . . 
H21B H 0.9829 -0.0118 0.1138 0.124 Uiso 1 1 calc R . . 
H21C H 0.9539 0.0266 0.0672 0.124 Uiso 1 1 calc R . . 
C22 C 1.3231(2) 0.12868(10) 0.3452(2) 0.1215(13) Uani 1 1 d . . . 
H22A H 1.3925 0.1306 0.3959 0.182 Uiso 1 1 calc R . . 
H22B H 1.2837 0.1515 0.3375 0.182 Uiso 1 1 calc R . . 
H22C H 1.3409 0.1222 0.2859 0.182 Uiso 1 1 calc R . . 
C23 C 1.3231(2) 0.05249(9) 0.4103(2) 0.1124(12) Uani 1 1 d . . . 
H23A H 1.3861 0.0580 0.4646 0.169 Uiso 1 1 calc R . . 
H23B H 1.3516 0.0453 0.3565 0.169 Uiso 1 1 calc R . . 
H23C H 1.2791 0.0330 0.4270 0.169 Uiso 1 1 calc R . . 
C24 C 1.1838(2) 0.10460(8) 0.48607(15) 0.0925(10) Uani 1 1 d . . . 
H24A H 1.2490 0.1055 0.5410 0.139 Uiso 1 1 calc R . . 
H24B H 1.1316 0.0864 0.4964 0.139 Uiso 1 1 calc R . . 
H24C H 1.1462 0.1278 0.4777 0.139 Uiso 1 1 calc R . . 
C25 C 0.77646(16) 0.17647(5) -0.00201(13) 0.0479(5) Uani 1 1 d . . . 
C26 C 0.71851(18) 0.18941(5) 0.06336(14) 0.0609(6) Uani 1 1 d . . . 
H26A H 0.6419 0.1832 0.0534 0.073 Uiso 1 1 calc R . . 
C27 C 0.7668(2) 0.21043(6) 0.14045(15) 0.0768(8) Uani 1 1 d . . . 
H27A H 0.7250 0.2178 0.1833 0.092 Uiso 1 1 calc R . . 
C28 C 0.8789(2) 0.22074(6) 0.15409(15) 0.0740(8) Uani 1 1 d . . . 
H28A H 0.9137 0.2358 0.2054 0.089 Uiso 1 1 calc R . . 
C29 C 0.9379(2) 0.20869(5) 0.09200(14) 0.0617(7) Uani 1 1 d . . . 
H29A H 1.0135 0.2161 0.1022 0.074 Uiso 1 1 calc R . . 
C30 C 0.89254(16) 0.18568(5) 0.01295(12) 0.0451(5) Uani 1 1 d . . . 
C31 C 0.97215(17) 0.17544(5) -0.04485(13) 0.0527(6) Uani 1 1 d . . . 
H31A H 1.0203 0.1939 -0.0544 0.063 Uiso 1 1 calc R . . 
C32 C 0.98610(15) 0.14376(5) -0.08568(12) 0.0467(5) Uani 1 1 d . . . 
C33 C 1.04540(19) 0.14768(9) -0.23994(14) 0.0877(10) Uani 1 1 d . . . 
C34 C 1.1441(2) 0.13724(15) -0.28354(19) 0.193(2) Uani 1 1 d . . . 
H34A H 1.1823 0.1588 -0.2961 0.289 Uiso 1 1 calc R . . 
H34B H 1.1144 0.1243 -0.3429 0.289 Uiso 1 1 calc R . . 
H34C H 1.1972 0.1221 -0.2389 0.289 Uiso 1 1 calc R . . 
C35 C 1.0242(3) 0.18757(9) -0.25698(19) 0.1287(12) Uani 1 1 d . . . 
H35A H 0.9700 0.1957 -0.2231 0.193 Uiso 1 1 calc R . . 
H35B H 0.9944 0.1920 -0.3249 0.193 Uiso 1 1 calc R . . 
H35C H 1.0947 0.2006 -0.2338 0.193 Uiso 1 1 calc R . . 
C36 C 0.9403(3) 0.12551(10) -0.28916(17) 0.1155(13) Uani 1 1 d . . . 
H36A H 0.8749 0.1347 -0.2707 0.173 Uiso 1 1 calc R . . 
H36B H 0.9524 0.1006 -0.2698 0.173 Uiso 1 1 calc R . . 
H36C H 0.9274 0.1273 -0.3580 0.173 Uiso 1 1 calc R . . 
C37 C 1.20797(18) 0.12441(7) 0.06231(14) 0.0720(8) Uani 1 1 d . . . 
H37A H 1.1457 0.1096 0.0701 0.108 Uiso 1 1 calc R . . 
H37B H 1.1985 0.1487 0.0831 0.108 Uiso 1 1 calc R . . 
H37C H 1.2788 0.1147 0.1005 0.108 Uiso 1 1 calc R . . 
C38 C 1.2445(2) 0.07791(7) -0.0961(2) 0.1013(11) Uani 1 1 d . . . 
H38A H 1.1824 0.0621 -0.0934 0.152 Uiso 1 1 calc R . . 
H38B H 1.3128 0.0701 -0.0501 0.152 Uiso 1 1 calc R . . 
H38C H 1.2561 0.0773 -0.1599 0.152 Uiso 1 1 calc R . . 
C39 C 1.3316(2) 0.15439(8) -0.07547(19) 0.0964(10) Uani 1 1 d . . . 
H39A H 1.3364 0.1553 -0.1413 0.145 Uiso 1 1 calc R . . 
H39B H 1.4014 0.1446 -0.0354 0.145 Uiso 1 1 calc R . . 
H39C H 1.3200 0.1784 -0.0540 0.145 Uiso 1 1 calc R . . 
C40 C 0.70378(15) 0.15745(5) -0.08738(12) 0.0461(5) Uani 1 1 d . . . 
H40A H 0.6318 0.1678 -0.1102 0.055 Uiso 1 1 calc R . . 
C41 C 0.72041(15) 0.12861(5) -0.13793(11) 0.0408(5) Uani 1 1 d . . . 
C42 C 0.59566(19) 0.08426(5) -0.24969(14) 0.0606(7) Uani 1 1 d . . . 
C43 C 0.6745(2) 0.06231(6) -0.29786(16) 0.0851(9) Uani 1 1 d . . . 
H43A H 0.7503 0.0616 -0.2556 0.128 Uiso 1 1 calc R . . 
H43B H 0.6766 0.0736 -0.3577 0.128 Uiso 1 1 calc R . . 
H43C H 0.6457 0.0380 -0.3102 0.128 Uiso 1 1 calc R . . 
C44 C 0.4753(2) 0.08489(7) -0.31836(18) 0.0903(9) Uani 1 1 d . . . 
H44A H 0.4251 0.0984 -0.2894 0.135 Uiso 1 1 calc R . . 
H44B H 0.4474 0.0605 -0.3305 0.135 Uiso 1 1 calc R . . 
H44C H 0.4780 0.0961 -0.3782 0.135 Uiso 1 1 calc R . . 
C45 C 0.5861(2) 0.06496(6) -0.15823(15) 0.0856(9) Uani 1 1 d . . . 
H45A H 0.6602 0.0638 -0.1132 0.128 Uiso 1 1 calc R . . 
H45B H 0.5577 0.0408 -0.1740 0.128 Uiso 1 1 calc R . . 
H45C H 0.5345 0.0781 -0.1298 0.128 Uiso 1 1 calc R . . 
C46 C 0.6943(2) 0.19796(6) -0.27526(19) 0.0866(9) Uani 1 1 d . . . 
H46A H 0.6891 0.2063 -0.2130 0.130 Uiso 1 1 calc R . . 
H46B H 0.6695 0.2169 -0.3221 0.130 Uiso 1 1 calc R . . 
H46C H 0.7721 0.1917 -0.2722 0.130 Uiso 1 1 calc R . . 
C47 C 0.4520(2) 0.17380(8) -0.3292(2) 0.0997(11) Uani 1 1 d . . . 
H47A H 0.4400 0.1809 -0.2680 0.150 Uiso 1 1 calc R . . 
H47B H 0.3999 0.1546 -0.3564 0.150 Uiso 1 1 calc R . . 
H47C H 0.4390 0.1942 -0.3723 0.150 Uiso 1 1 calc R . . 
C48 C 0.6200(2) 0.14457(7) -0.43307(14) 0.0859(9) Uani 1 1 d . . . 
H48A H 0.6964 0.1359 -0.4263 0.129 Uiso 1 1 calc R . . 
H48B H 0.6064 0.1654 -0.4748 0.129 Uiso 1 1 calc R . . 
H48C H 0.5664 0.1258 -0.4604 0.129 Uiso 1 1 calc R . . 
C49 C 0.5512(2) 0.21017(11) 0.3186(2) 0.247(3) Uiso 1 1 d D . . 
H49A H 0.6203 0.2206 0.3075 0.296 Uiso 1 1 calc R . . 
H49B H 0.5691 0.1862 0.3464 0.296 Uiso 1 1 calc R . . 
C50 C 0.5052(3) 0.23470(12) 0.38877(19) 0.284(3) Uiso 1 1 d D . . 
H50A H 0.5519 0.2563 0.4056 0.341 Uiso 1 1 calc R . . 
H50B H 0.5049 0.2217 0.4476 0.341 Uiso 1 1 calc R . . 
C51 C 0.3799(2) 0.24485(10) 0.3308(2) 0.221(2) Uiso 1 1 d D . . 
H51C H 0.3254 0.2352 0.3634 0.266 Uiso 1 1 calc R . . 
H51D H 0.3712 0.2710 0.3270 0.266 Uiso 1 1 calc R . . 
C52 C 0.3575(3) 0.22863(13) 0.2280(2) 0.311(4) Uiso 1 1 d D . . 
H52A H 0.2909 0.2130 0.2147 0.373 Uiso 1 1 calc R . . 
H52B H 0.3444 0.2478 0.1799 0.373 Uiso 1 1 calc R . . 
O1 O 0.4609(2) 0.20763(10) 0.22583(18) 0.291(2) Uiso 1 1 d D . . 
 
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 0.04660(6) 0.03719(5) 0.03111(5) -0.00015(4) 0.00620(4) 0.00162(5) 
Sn2 0.05459(7) 0.04180(6) 0.03482(5) -0.00420(5) 0.00525(5) 0.00911(6) 
N1 0.0551(9) 0.0532(9) 0.0489(8) 0.0040(7) 0.0139(7) -0.0031(8) 
N2 0.0472(8) 0.0414(7) 0.0338(6) 0.0032(6) 0.0084(6) 0.0046(7) 
N3 0.0506(9) 0.1099(14) 0.0410(8) 0.0100(8) 0.0192(6) 0.0136(9) 
N4 0.0501(9) 0.0456(8) 0.0402(7) 0.0046(6) -0.0035(7) -0.0043(7) 
Si2 0.0524(3) 0.0891(4) 0.0420(3) -0.0020(3) -0.0008(2) 0.0013(3) 
Si1 0.0749(3) 0.0623(3) 0.0517(3) 0.0085(2) 0.0297(2) 0.0018(3) 
Si4 0.0565(3) 0.0531(3) 0.0550(3) 0.0146(2) 0.0048(3) 0.0061(3) 
Si3 0.0472(3) 0.0655(3) 0.0581(3) 0.0015(3) 0.0184(2) 0.0000(3) 
C1 0.0736(13) 0.0462(10) 0.0371(9) -0.0095(8) 0.0018(9) -0.0084(10) 
C2 0.1104(18) 0.0563(12) 0.0535(12) -0.0102(10) -0.0008(12) -0.0210(13) 
C3 0.157(3) 0.0614(13) 0.0672(14) -0.0191(12) 0.0064(16) -0.0276(16) 
C4 0.168(3) 0.0642(13) 0.0659(13) -0.0320(10) 0.0277(15) -0.0066(16) 
C5 0.130(2) 0.0680(13) 0.0551(11) -0.0196(10) 0.0244(12) 0.0116(14) 
C6 0.0842(13) 0.0453(9) 0.0374(9) -0.0046(8) 0.0115(9) 0.0074(10) 
C7 0.0630(11) 0.0489(10) 0.0491(9) 0.0022(8) 0.0225(8) 0.0065(9) 
C8 0.0520(10) 0.0461(9) 0.0436(8) 0.0054(7) 0.0133(7) 0.0060(8) 
C9 0.0542(11) 0.0771(13) 0.0665(12) 0.0117(11) 0.0153(9) -0.0102(11) 
C10 0.0676(15) 0.0907(17) 0.1052(19) 0.0268(15) 0.0011(14) 0.0106(14) 
C11 0.0643(14) 0.146(2) 0.0831(16) 0.0153(16) 0.0138(12) -0.0248(16) 
C12 0.0733(14) 0.0802(14) 0.0627(12) -0.0040(11) 0.0110(11) -0.0166(12) 
C13 0.1031(17) 0.0631(13) 0.0871(14) 0.0160(11) 0.0338(12) -0.0107(13) 
C14 0.1151(17) 0.137(2) 0.0702(12) 0.0201(14) 0.0526(11) 0.0155(18) 
C15 0.1068(18) 0.0732(14) 0.0532(12) 0.0134(11) 0.0120(12) 0.0067(14) 
C16 0.0578(10) 0.0419(9) 0.0357(8) -0.0017(7) 0.0085(7) -0.0078(8) 
C17 0.0486(9) 0.0609(10) 0.0349(8) 0.0041(8) 0.0125(7) 0.0004(9) 
C18 0.0587(11) 0.0437(9) 0.0534(10) 0.0072(8) 0.0132(8) 0.0123(9) 
C19 0.0791(13) 0.0688(13) 0.0707(12) 0.0020(10) 0.0355(10) 0.0165(11) 
C20 0.0875(15) 0.0573(12) 0.0854(14) 0.0243(11) 0.0282(12) 0.0189(12) 
C21 0.0949(18) 0.0426(11) 0.0953(17) -0.0098(11) -0.0029(14) 0.0027(12) 
C22 0.0746(17) 0.177(3) 0.095(2) 0.013(2) -0.0119(15) -0.0486(18) 
C23 0.0679(16) 0.149(2) 0.098(2) -0.0086(19) -0.0189(15) 0.0388(17) 
C24 0.0769(16) 0.144(2) 0.0444(12) -0.0066(14) -0.0057(11) 0.0164(17) 
C25 0.0587(10) 0.0362(8) 0.0481(9) -0.0024(7) 0.0126(8) 0.0070(8) 
C26 0.0694(11) 0.0496(10) 0.0712(11) -0.0103(9) 0.0315(9) 0.0075(10) 
C27 0.1125(16) 0.0601(12) 0.0664(11) -0.0119(10) 0.0387(11) 0.0133(12) 
C28 0.1174(18) 0.0479(10) 0.0497(11) -0.0170(9) 0.0088(12) 0.0072(12) 
C29 0.0811(14) 0.0421(10) 0.0555(11) -0.0063(9) 0.0064(10) -0.0040(10) 
C30 0.0579(10) 0.0347(8) 0.0409(8) -0.0009(7) 0.0095(8) -0.0025(8) 
C31 0.0568(11) 0.0527(10) 0.0484(9) 0.0034(8) 0.0134(8) -0.0081(9) 
C32 0.0399(9) 0.0628(11) 0.0366(8) 0.0060(8) 0.0085(7) 0.0057(9) 
C33 0.0569(12) 0.169(3) 0.0418(10) 0.0172(13) 0.0202(9) 0.0176(15) 
C34 0.1081(17) 0.423(7) 0.0684(14) 0.021(3) 0.0623(11) 0.058(3) 
C35 0.118(2) 0.179(3) 0.0947(15) 0.0751(15) 0.0367(14) -0.004(2) 
C36 0.121(2) 0.178(3) 0.0397(12) -0.0021(16) 0.0079(14) 0.008(2) 
C37 0.0565(12) 0.1027(17) 0.0537(11) 0.0119(12) 0.0085(10) -0.0060(13) 
C38 0.1118(18) 0.0794(16) 0.1242(19) -0.0008(16) 0.0515(15) 0.0117(16) 
C39 0.0765(15) 0.124(2) 0.0897(16) 0.0093(16) 0.0231(12) -0.0313(15) 
C40 0.0398(9) 0.0480(9) 0.0485(9) -0.0044(8) 0.0080(7) 0.0057(8) 
C41 0.0430(9) 0.0427(9) 0.0344(8) 0.0007(7) 0.0060(7) -0.0006(8) 
C42 0.0753(13) 0.0517(10) 0.0413(10) 0.0072(8) -0.0089(10) -0.0137(10) 
C43 0.126(2) 0.0530(12) 0.0597(13) -0.0168(10) -0.0048(14) 0.0066(14) 
C44 0.0856(16) 0.0871(16) 0.0747(15) 0.0075(13) -0.0216(13) -0.0334(14) 
C45 0.1104(18) 0.0742(13) 0.0581(12) 0.0201(10) -0.0038(12) -0.0404(13) 
C46 0.0856(16) 0.0582(12) 0.1166(18) 0.0256(12) 0.0273(14) -0.0072(12) 
C47 0.0753(16) 0.1052(18) 0.115(2) 0.0327(16) 0.0183(15) 0.0356(14) 
C48 0.1041(19) 0.1031(18) 0.0458(11) 0.0192(12) 0.0110(12) 0.0066(16) 
 
_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 C8 2.208(2) . ? 
Sn1 C16 2.2187(16) . ? 
Sn1 N2 2.2655(13) . ? 
Sn1 Sn2 3.0087(3) . ? 
Sn2 C32 2.2090(19) . ? 
Sn2 C41 2.2553(17) . ? 
N1 C8 1.431(2) . ? 
N1 C9 1.499(2) . ? 
N1 Si1 1.7550(16) . ? 
N2 C17 1.279(2) . ? 
N2 C18 1.505(2) . ? 
N3 C32 1.454(3) . ? 
N3 C33 1.505(2) . ? 
N3 Si3 1.7212(16) . ? 
N4 C41 1.418(2) . ? 
N4 C42 1.489(2) . ? 
N4 Si4 1.7600(15) . ? 
Si2 C24 1.842(3) . ? 
Si2 C22 1.847(3) . ? 
Si2 C23 1.864(3) . ? 
Si2 C17 1.9530(17) . ? 
Si1 C13 1.847(2) . ? 
Si1 C14 1.861(3) . ? 
Si1 C15 1.865(2) . ? 
Si4 C46 1.855(2) . ? 
Si4 C47 1.863(3) . ? 
Si4 C48 1.877(2) . ? 
Si3 C38 1.856(3) . ? 
Si3 C37 1.860(2) . ? 
Si3 C39 1.861(3) . ? 
C1 C2 1.383(3) . ? 
C1 C6 1.392(3) . ? 
C1 C16 1.498(3) . ? 
C2 C3 1.374(4) . ? 
C3 C4 1.353(5) . ? 
C4 C5 1.360(4) . ? 
C5 C6 1.408(3) . ? 
C6 C7 1.486(3) . ? 
C7 C8 1.352(2) . ? 
C9 C10 1.506(3) . ? 
C9 C12 1.545(3) . ? 
C9 C11 1.554(4) . ? 
C16 C17 1.539(3) . ? 
C18 C20 1.517(3) . ? 
C18 C21 1.530(3) . ? 
C18 C19 1.537(3) . ? 
C25 C26 1.392(3) . ? 
C25 C30 1.407(3) . ? 
C25 C40 1.484(2) . ? 
C26 C27 1.351(3) . ? 
C27 C28 1.374(4) . ? 
C28 C29 1.352(3) . ? 
C29 C30 1.407(2) . ? 
C30 C31 1.473(3) . ? 
C31 C32 1.336(3) . ? 
C33 C35 1.502(4) . ? 
C33 C36 1.523(4) . ? 
C33 C34 1.533(4) . ? 
C40 C41 1.331(2) . ? 
C42 C45 1.521(3) . ? 
C42 C44 1.533(3) . ? 
C42 C43 1.544(4) . ? 
C49 O1 1.489(4) . ? 
C49 C50 1.558(5) . ? 
C50 C51 1.575(4) . ? 
C51 C52 1.546(4) . ? 
C52 O1 1.480(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 
C8 Sn1 C16 89.53(7) . . ? 
C8 Sn1 N2 91.32(6) . . ? 
C16 Sn1 N2 61.70(6) . . ? 
C8 Sn1 Sn2 144.21(4) . . ? 
C16 Sn1 Sn2 126.22(5) . . ? 
N2 Sn1 Sn2 106.25(4) . . ? 
C32 Sn2 C41 90.05(6) . . ? 
C32 Sn2 Sn1 93.42(4) . . ? 
C41 Sn2 Sn1 97.18(4) . . ? 
C8 N1 C9 117.19(15) . . ? 
C8 N1 Si1 118.60(11) . . ? 
C9 N1 Si1 124.18(13) . . ? 
C17 N2 C18 128.88(14) . . ? 
C17 N2 Sn1 97.08(11) . . ? 
C18 N2 Sn1 134.01(10) . . ? 
C32 N3 C33 115.09(15) . . ? 
C32 N3 Si3 119.07(12) . . ? 
C33 N3 Si3 125.45(15) . . ? 
C41 N4 C42 118.84(14) . . ? 
C41 N4 Si4 118.78(12) . . ? 
C42 N4 Si4 122.26(11) . . ? 
C24 Si2 C22 112.96(14) . . ? 
C24 Si2 C23 105.12(13) . . ? 
C22 Si2 C23 105.76(14) . . ? 
C24 Si2 C17 106.78(10) . . ? 
C22 Si2 C17 105.51(10) . . ? 
C23 Si2 C17 120.94(11) . . ? 
N1 Si1 C13 111.85(10) . . ? 
N1 Si1 C14 114.95(10) . . ? 
C13 Si1 C14 106.86(13) . . ? 
N1 Si1 C15 111.59(10) . . ? 
C13 Si1 C15 105.90(11) . . ? 
C14 Si1 C15 105.05(11) . . ? 
N4 Si4 C46 112.30(9) . . ? 
N4 Si4 C47 114.07(11) . . ? 
C46 Si4 C47 106.03(12) . . ? 
N4 Si4 C48 111.76(10) . . ? 
C46 Si4 C48 104.73(13) . . ? 
C47 Si4 C48 107.32(12) . . ? 
N3 Si3 C38 115.00(11) . . ? 
N3 Si3 C37 107.51(9) . . ? 
C38 Si3 C37 105.95(12) . . ? 
N3 Si3 C39 113.78(11) . . ? 
C38 Si3 C39 107.53(13) . . ? 
C37 Si3 C39 106.47(11) . . ? 
C2 C1 C6 118.0(2) . . ? 
C2 C1 C16 119.6(2) . . ? 
C6 C1 C16 122.33(17) . . ? 
C3 C2 C1 122.3(3) . . ? 
C4 C3 C2 120.2(2) . . ? 
C3 C4 C5 118.7(2) . . ? 
C4 C5 C6 122.8(3) . . ? 
C1 C6 C5 117.8(2) . . ? 
C1 C6 C7 126.61(18) . . ? 
C5 C6 C7 115.6(2) . . ? 
C8 C7 C6 132.1(2) . . ? 
C7 C8 N1 116.42(18) . . ? 
C7 C8 Sn1 117.18(14) . . ? 
N1 C8 Sn1 126.30(12) . . ? 
N1 C9 C10 111.69(18) . . ? 
N1 C9 C12 110.52(17) . . ? 
C10 C9 C12 109.9(2) . . ? 
N1 C9 C11 109.76(18) . . ? 
C10 C9 C11 107.1(2) . . ? 
C12 C9 C11 107.67(19) . . ? 
C1 C16 C17 122.19(14) . . ? 
C1 C16 Sn1 117.19(13) . . ? 
C17 C16 Sn1 91.60(10) . . ? 
N2 C17 C16 109.04(14) . . ? 
N2 C17 Si2 136.34(14) . . ? 
C16 C17 Si2 114.49(12) . . ? 
N2 C18 C20 112.66(16) . . ? 
N2 C18 C21 105.23(15) . . ? 
C20 C18 C21 107.77(17) . . ? 
N2 C18 C19 108.64(16) . . ? 
C20 C18 C19 112.28(17) . . ? 
C21 C18 C19 110.02(18) . . ? 
C26 C25 C30 118.19(16) . . ? 
C26 C25 C40 114.92(17) . . ? 
C30 C25 C40 126.52(18) . . ? 
C27 C26 C25 124.0(2) . . ? 
C26 C27 C28 118.5(2) . . ? 
C29 C28 C27 119.12(19) . . ? 
C28 C29 C30 124.4(2) . . ? 
C25 C30 C29 115.73(19) . . ? 
C25 C30 C31 128.73(15) . . ? 
C29 C30 C31 115.51(18) . . ? 
C32 C31 C30 130.18(19) . . ? 
C31 C32 N3 118.17(18) . . ? 
C31 C32 Sn2 123.48(15) . . ? 
N3 C32 Sn2 118.32(14) . . ? 
C35 C33 N3 108.9(2) . . ? 
C35 C33 C36 111.3(2) . . ? 
N3 C33 C36 110.5(2) . . ? 
C35 C33 C34 107.3(3) . . ? 
N3 C33 C34 109.94(19) . . ? 
C36 C33 C34 108.8(3) . . ? 
C41 C40 C25 133.21(16) . . ? 
C40 C41 N4 117.79(15) . . ? 
C40 C41 Sn2 118.23(11) . . ? 
N4 C41 Sn2 123.87(12) . . ? 
N4 C42 C45 110.68(16) . . ? 
N4 C42 C44 110.58(17) . . ? 
C45 C42 C44 106.8(2) . . ? 
N4 C42 C43 110.79(18) . . ? 
C45 C42 C43 109.46(18) . . ? 
C44 C42 C43 108.46(18) . . ? 
O1 C49 C50 108.1(2) . . ? 
C49 C50 C51 104.7(2) . . ? 
C52 C51 C50 108.5(2) . . ? 
O1 C52 C51 106.3(2) . . ? 
C52 O1 C49 112.2(3) . . ? 
 
_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              28.30 
_diffrn_measured_fraction_theta_full   0.994 
_refine_diff_density_max    1.059 
_refine_diff_density_min   -0.554 
_refine_diff_density_rms    0.091