data_global _audit_creation_date 'November 1 2005' _audit_creation_method SHELXL-97 _audit_update_record ? #------------------------------------------------------------------------------ # PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_coeditor_code ? #------------------------------------------------------------------------------ # SUBMISSION DETAILS _publ_contact_author_name 'Norihiro Tokitoh' _publ_contact_author_address ; Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan. ; _publ_contact_author_email ' tokitoh@boc.kuicr.kyoto-u.ac.jp' _publ_contact_author_fax ' +81-774-38-3209 ' _publ_contact_author_phone ' +81-774-38-3200 ' _publ_contact_letter ; ; _publ_requested_journal ' Journal of the American Chemical Society' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? #------------------------------------------------------------------------------ # TITLE AND AUTHOR LIST _publ_section_title ; A Stable Neutral Stannaaromatic Compound: Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene ; _publ_section_title_footnote ; ; loop_ _publ_author_name _publ_author_footnote _publ_author_address ' Yoshiyuki Mizuhata ' ; ; ; Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan. ; ' Takahiro Sasamori ' ; ; ; Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan. ; ' Nobuhiro Takeda ' ; ; ; Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan. ; ' Norihiro Tokitoh ' ; ; ; Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan. ; #------------------------------------------------------------------------------ # TEXT _publ_section_abstract ; ; _publ_section_comment ; ; _publ_section_acknowledgements ; ; _publ_section_references ; Sheldrick, G.M. (1997). SHELXL97. Program for the refinement of crystal structures. Univ. of Goettingen, Germany. ; _publ_section_figure_captions ; ; _publ_section_exptl_prep ; ; _publ_section_exptl_refinement ; ; data_2SnNpCr _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common 2-stannanaphthalene_Cr_complex _chemical_melting_point ? _chemical_formula_moiety 'C43 H74 Cr O3 Si6 Sn' _chemical_formula_sum 'C43 H74 Cr O3 Si6 Sn' _chemical_formula_weight 978.27 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' 'Cr' 'Cr' 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.5178(4) _cell_length_b 13.1280(7) _cell_length_c 22.1764(8) _cell_angle_alpha 79.6768(18) _cell_angle_beta 82.5522(15) _cell_angle_gamma 82.2722(18) _cell_volume 2685.5(2) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min 1.71 _cell_measurement_theta_max 25 _exptl_crystal_description plate _exptl_crystal_colour brown _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.01 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.210 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1028 _exptl_absorpt_coefficient_mu 0.833 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.9213 _exptl_absorpt_correction_T_max 0.9917 _exptl_absorpt_process_details 'Jacobson, R. (1998) Private communication' _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_source 'rotating-anode X-ray tube' _diffrn_radiation_monochromator 'Confocal' _diffrn_measurement_device_type 'Rigaku VariMax Saturn' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22659 _diffrn_reflns_av_R_equivalents 0.0586 _diffrn_reflns_av_sigmaI/netI 0.0723 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 1.71 _diffrn_reflns_theta_max 25.00 _reflns_number_total 9402 _reflns_number_gt 6642 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear' _computing_cell_refinement 'HKL2000' _computing_data_reduction 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'DIRDIF 99' _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^)+(0.0272P)^2^+3.2153P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9402 _refine_ls_number_parameters 650 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0880 _refine_ls_R_factor_gt 0.0493 _refine_ls_wR_factor_ref 0.1052 _refine_ls_wR_factor_gt 0.0890 _refine_ls_goodness_of_fit_ref 1.107 _refine_ls_restrained_S_all 1.107 _refine_ls_shift/su_max 0.083 _refine_ls_shift/su_mean 0.003 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.3595(5) 0.2698(4) 0.3740(2) 0.0362(11) Uani 1 1 d . . . H1 H 0.447(5) 0.275(3) 0.3588(19) 0.029(12) Uiso 1 1 d . . . Sn1 Sn 0.20053(4) 0.33772(3) 0.321868(15) 0.03524(11) Uani 1 1 d . . . C2 C 0.0428(5) 0.2577(3) 0.3781(2) 0.0358(11) Uani 1 1 d . . . C3 C 0.0774(5) 0.1983(3) 0.4332(2) 0.0326(11) Uani 1 1 d . . . H2 H 0.010(4) 0.160(3) 0.4564(17) 0.020(10) Uiso 1 1 d . . . C4 C 0.2014(5) 0.1160(3) 0.5231(2) 0.0381(11) Uani 1 1 d . . . H3 H 0.1131 0.0931 0.5418 0.046 Uiso 1 1 calc R . . C5 C 0.3176(5) 0.0896(4) 0.5543(2) 0.0428(12) Uani 1 1 d . . . H4 H 0.3097 0.0504 0.5947 0.051 Uiso 1 1 calc R . . C6 C 0.4503(6) 0.1204(4) 0.5266(2) 0.0456(13) Uani 1 1 d . . . H5 H 0.5316 0.1019 0.5486 0.055 Uiso 1 1 calc R . . C7 C 0.4633(5) 0.1764(4) 0.4685(2) 0.0407(12) Uani 1 1 d . . . H6 H 0.5547 0.1936 0.4501 0.049 Uiso 1 1 calc R . . C8 C 0.3411(5) 0.2104(3) 0.43433(19) 0.0327(10) Uani 1 1 d . . . C9 C 0.2075(5) 0.1776(3) 0.4624(2) 0.0328(10) Uani 1 1 d . . . C10 C -0.1084(5) 0.2626(4) 0.3600(2) 0.0440(13) Uani 1 1 d . . . C11 C -0.2068(6) 0.3315(4) 0.4009(3) 0.0652(17) Uani 1 1 d . . . H7 H -0.1735 0.4005 0.3947 0.098 Uiso 1 1 calc R . . H8 H -0.2052 0.2993 0.4442 0.098 Uiso 1 1 calc R . . H9 H -0.3043 0.3387 0.3897 0.098 Uiso 1 1 calc R . . C12 C -0.1624(5) 0.1548(4) 0.3699(3) 0.0548(15) Uani 1 1 d . . . H10 H -0.2592 0.1626 0.3578 0.082 Uiso 1 1 calc R . . H11 H -0.1634 0.1235 0.4135 0.082 Uiso 1 1 calc R . . H12 H -0.0991 0.1098 0.3448 0.082 Uiso 1 1 calc R . . C13 C -0.1149(6) 0.3120(4) 0.2930(3) 0.0630(17) Uani 1 1 d . . . H13 H -0.0837 0.3817 0.2864 0.094 Uiso 1 1 calc R . . H14 H -0.2131 0.3176 0.2828 0.094 Uiso 1 1 calc R . . H15 H -0.0522 0.2688 0.2666 0.094 Uiso 1 1 calc R . . Cr1 Cr 0.24627(8) 0.12804(5) 0.36744(3) 0.03354(19) Uani 1 1 d . . . C14 C 0.1852(6) 0.1033(4) 0.2973(2) 0.0444(13) Uani 1 1 d . . . O1 O 0.1487(4) 0.0830(3) 0.25296(17) 0.0651(11) Uani 1 1 d . . . C15 C 0.4219(6) 0.0656(4) 0.3404(2) 0.0436(12) Uani 1 1 d . . . O2 O 0.5309(4) 0.0261(3) 0.32102(17) 0.0649(11) Uani 1 1 d . . . C16 C 0.1942(5) 0.0017(4) 0.4072(2) 0.0408(12) Uani 1 1 d . . . O3 O 0.1642(4) -0.0779(3) 0.43452(17) 0.0543(10) Uani 1 1 d . . . C17 C 0.2205(4) 0.4650(3) 0.2481(2) 0.0304(10) Uani 1 1 d . . . C18 C 0.2128(5) 0.5630(3) 0.26573(19) 0.0316(10) Uani 1 1 d . A . C19 C 0.2438(5) 0.6482(3) 0.2196(2) 0.0348(11) Uani 1 1 d . . . H16 H 0.2383 0.7154 0.2306 0.042 Uiso 1 1 calc R . . C20 C 0.2821(5) 0.6366(3) 0.1584(2) 0.0325(10) Uani 1 1 d . B . C21 C 0.2847(5) 0.5382(3) 0.1431(2) 0.0343(11) Uani 1 1 d . . . H17 H 0.3086 0.5301 0.1012 0.041 Uiso 1 1 calc R . . C22 C 0.2540(5) 0.4506(3) 0.18638(19) 0.0316(10) Uani 1 1 d . . . C23 C 0.1736(5) 0.5818(4) 0.3318(2) 0.0393(12) Uani 1 1 d . . . H18 H 0.1469 0.5120 0.3527 0.047 Uiso 0.655(11) 1 calc PR A 1 H19 H 0.1534 0.5134 0.3573 0.047 Uiso 0.345(11) 1 calc PR A 2 C24 C 0.3249(5) 0.7273(3) 0.1091(2) 0.0412(12) Uani 1 1 d . . . H20 H 0.3514 0.6958 0.0708 0.049 Uiso 0.60(3) 1 calc PR B 1 H21 H 0.3631 0.6923 0.0729 0.049 Uiso 0.40(3) 1 calc PR B 2 C25 C 0.2604(5) 0.3474(3) 0.1646(2) 0.0374(11) Uani 1 1 d . . . H22 H 0.2262 0.2987 0.2021 0.045 Uiso 1 1 calc R . . Si1 Si 0.3417(9) 0.5911(5) 0.3712(4) 0.0465(13) Uani 0.655(11) 1 d P A 1 Si2 Si -0.0024(14) 0.6687(10) 0.3461(9) 0.0471(19) Uani 0.655(11) 1 d P A 1 Si3 Si 0.498(3) 0.7649(12) 0.1265(11) 0.050(2) Uani 0.60(3) 1 d P B 1 Si4 Si 0.1727(17) 0.8259(11) 0.0910(7) 0.042(2) Uani 0.60(3) 1 d P B 1 Si5 Si 0.45268(18) 0.29279(11) 0.14396(6) 0.0496(4) Uani 1 1 d . . . Si6 Si 0.12458(19) 0.35117(11) 0.10793(7) 0.0538(4) Uani 1 1 d . . . C26 C 0.5047(15) 0.5374(11) 0.3262(5) 0.051(3) Uani 0.655(11) 1 d P A 1 H23 H 0.4965 0.4650 0.3228 0.077 Uiso 0.655(11) 1 calc PR A 1 H24 H 0.5884 0.5398 0.3471 0.077 Uiso 0.655(11) 1 calc PR A 1 H25 H 0.5150 0.5790 0.2848 0.077 Uiso 0.655(11) 1 calc PR A 1 C27 C 0.3639(13) 0.7288(8) 0.3755(6) 0.074(3) Uani 0.655(11) 1 d P A 1 H26 H 0.2798 0.7597 0.3991 0.111 Uiso 0.655(11) 1 calc PR A 1 H27 H 0.3746 0.7690 0.3337 0.111 Uiso 0.655(11) 1 calc PR A 1 H28 H 0.4490 0.7301 0.3958 0.111 Uiso 0.655(11) 1 calc PR A 1 C28 C 0.3249(11) 0.5146(9) 0.4515(4) 0.079(4) Uani 0.655(11) 1 d P A 1 H29 H 0.2390 0.5432 0.4751 0.118 Uiso 0.655(11) 1 calc PR A 1 H30 H 0.4090 0.5193 0.4717 0.118 Uiso 0.655(11) 1 calc PR A 1 H31 H 0.3181 0.4415 0.4495 0.118 Uiso 0.655(11) 1 calc PR A 1 C29 C 0.0320(15) 0.8073(17) 0.3237(9) 0.045(4) Uani 0.655(11) 1 d P A 1 H32 H 0.1022 0.8219 0.3488 0.068 Uiso 0.655(11) 1 calc PR A 1 H33 H -0.0571 0.8527 0.3306 0.068 Uiso 0.655(11) 1 calc PR A 1 H34 H 0.0691 0.8204 0.2801 0.068 Uiso 0.655(11) 1 calc PR A 1 C30 C -0.130(3) 0.639(2) 0.3017(8) 0.074(6) Uani 0.655(11) 1 d P A 1 H35 H -0.0979 0.6571 0.2577 0.111 Uiso 0.655(11) 1 calc PR A 1 H36 H -0.2222 0.6799 0.3111 0.111 Uiso 0.655(11) 1 calc PR A 1 H37 H -0.1411 0.5648 0.3118 0.111 Uiso 0.655(11) 1 calc PR A 1 C31 C -0.053(2) 0.639(2) 0.4292(13) 0.101(9) Uani 0.655(11) 1 d P A 1 H38 H 0.0219 0.6561 0.4511 0.152 Uiso 0.655(11) 1 calc PR A 1 H39 H -0.0637 0.5648 0.4409 0.152 Uiso 0.655(11) 1 calc PR A 1 H40 H -0.1430 0.6805 0.4401 0.152 Uiso 0.655(11) 1 calc PR A 1 C32 C 0.635(3) 0.6466(19) 0.1400(14) 0.083(7) Uani 0.60(3) 1 d P B 1 H41 H 0.7238 0.6682 0.1489 0.125 Uiso 0.60(3) 1 calc PR B 1 H42 H 0.6539 0.6137 0.1029 0.125 Uiso 0.60(3) 1 calc PR B 1 H43 H 0.5987 0.5967 0.1749 0.125 Uiso 0.60(3) 1 calc PR B 1 C33 C 0.4842(19) 0.8327(16) 0.1965(7) 0.081(5) Uani 0.60(3) 1 d P B 1 H44 H 0.4131 0.8941 0.1917 0.122 Uiso 0.60(3) 1 calc PR B 1 H45 H 0.5770 0.8544 0.1999 0.122 Uiso 0.60(3) 1 calc PR B 1 H46 H 0.4552 0.7846 0.2338 0.122 Uiso 0.60(3) 1 calc PR B 1 C34 C 0.566(6) 0.838(3) 0.048(2) 0.069(9) Uani 0.40(3) 1 d P B 1 H47 H 0.5011 0.9011 0.0373 0.104 Uiso 0.40(3) 1 calc PR B 1 H48 H 0.5700 0.7929 0.0167 0.104 Uiso 0.40(3) 1 calc PR B 1 H49 H 0.6615 0.8563 0.0496 0.104 Uiso 0.40(3) 1 calc PR B 1 C35 C 0.027(3) 0.7584(19) 0.0854(18) 0.148(15) Uani 0.60(3) 1 d P B 1 H50 H 0.0573 0.7066 0.0582 0.222 Uiso 0.60(3) 1 calc PR B 1 H51 H -0.0506 0.8080 0.0686 0.222 Uiso 0.60(3) 1 calc PR B 1 H52 H -0.0074 0.7232 0.1265 0.222 Uiso 0.60(3) 1 calc PR B 1 C36 C 0.120(4) 0.9183(18) 0.1412(10) 0.132(11) Uani 0.60(3) 1 d P B 1 H53 H 0.2002 0.9562 0.1434 0.199 Uiso 0.60(3) 1 calc PR B 1 H54 H 0.0886 0.8822 0.1824 0.199 Uiso 0.60(3) 1 calc PR B 1 H55 H 0.0405 0.9675 0.1255 0.199 Uiso 0.60(3) 1 calc PR B 1 C37 C 0.219(3) 0.919(2) 0.0172(12) 0.081(7) Uani 0.60(3) 1 d P B 1 H56 H 0.2520 0.8792 -0.0163 0.122 Uiso 0.60(3) 1 calc PR B 1 H57 H 0.2940 0.9591 0.0232 0.122 Uiso 0.60(3) 1 calc PR B 1 H58 H 0.1337 0.9667 0.0067 0.122 Uiso 0.60(3) 1 calc PR B 1 C38 C 0.5566(6) 0.2965(5) 0.2086(3) 0.0685(17) Uani 1 1 d . . . H59 H 0.6563 0.2694 0.1983 0.103 Uiso 1 1 calc R . . H60 H 0.5166 0.2536 0.2461 0.103 Uiso 1 1 calc R . . H61 H 0.5519 0.3686 0.2156 0.103 Uiso 1 1 calc R . . C39 C 0.4563(8) 0.1540(4) 0.1340(3) 0.089(2) Uani 1 1 d . . . H62 H 0.5552 0.1212 0.1311 0.133 Uiso 1 1 calc R . . H63 H 0.4145 0.1515 0.0963 0.133 Uiso 1 1 calc R . . H64 H 0.4011 0.1166 0.1695 0.133 Uiso 1 1 calc R . . C40 C 0.5448(7) 0.3679(5) 0.0735(3) 0.0697(17) Uani 1 1 d . . . H65 H 0.5498 0.4389 0.0803 0.105 Uiso 1 1 calc R . . H66 H 0.4912 0.3705 0.0382 0.105 Uiso 1 1 calc R . . H67 H 0.6415 0.3335 0.0649 0.105 Uiso 1 1 calc R . . C41 C 0.1890(7) 0.4046(5) 0.0265(2) 0.0718(18) Uani 1 1 d . . . H68 H 0.2730 0.3597 0.0123 0.108 Uiso 1 1 calc R . . H69 H 0.2144 0.4751 0.0244 0.108 Uiso 1 1 calc R . . H70 H 0.1133 0.4069 0.0000 0.108 Uiso 1 1 calc R . . C42 C 0.0786(9) 0.2168(5) 0.1092(3) 0.102(3) Uani 1 1 d . . . H71 H 0.0009 0.2202 0.0836 0.153 Uiso 1 1 calc R . . H72 H 0.0483 0.1857 0.1517 0.153 Uiso 1 1 calc R . . H73 H 0.1625 0.1740 0.0929 0.153 Uiso 1 1 calc R . . C43 C -0.0412(6) 0.4356(5) 0.1314(3) 0.0734(19) Uani 1 1 d . . . H74 H -0.1118 0.4376 0.1026 0.110 Uiso 1 1 calc R . . H75 H -0.0182 0.5064 0.1307 0.110 Uiso 1 1 calc R . . H76 H -0.0804 0.4070 0.1731 0.110 Uiso 1 1 calc R . . Si7 Si 0.004(3) 0.672(2) 0.3365(18) 0.067(7) Uani 0.345(11) 1 d P A 2 Si8 Si 0.318(2) 0.6291(9) 0.3664(7) 0.051(3) Uani 0.345(11) 1 d P A 2 Si9 Si 0.484(4) 0.7919(14) 0.1228(15) 0.045(3) Uani 0.40(3) 1 d P B 2 Si10 Si 0.153(2) 0.8188(17) 0.0797(9) 0.039(3) Uani 0.40(3) 1 d P B 2 C44 C -0.117(4) 0.641(4) 0.2754(12) 0.050(7) Uani 0.345(11) 1 d P A 2 H77 H -0.2071 0.6873 0.2767 0.074 Uiso 0.345(11) 1 calc PR A 2 H78 H -0.1367 0.5686 0.2859 0.074 Uiso 0.345(11) 1 calc PR A 2 H79 H -0.0661 0.6534 0.2339 0.074 Uiso 0.345(11) 1 calc PR A 2 C45 C -0.112(4) 0.638(3) 0.418(2) 0.075(13) Uani 0.345(11) 1 d P A 2 H80 H -0.1999 0.6863 0.4192 0.112 Uiso 0.345(11) 1 calc PR A 2 H81 H -0.0569 0.6446 0.4510 0.112 Uiso 0.345(11) 1 calc PR A 2 H82 H -0.1362 0.5664 0.4231 0.112 Uiso 0.345(11) 1 calc PR A 2 C46 C -0.019(2) 0.821(3) 0.322(2) 0.043(7) Uani 0.345(11) 1 d P A 2 H83 H -0.1205 0.8462 0.3284 0.065 Uiso 0.345(11) 1 calc PR A 2 H84 H 0.0196 0.8463 0.2800 0.065 Uiso 0.345(11) 1 calc PR A 2 H85 H 0.0324 0.8457 0.3513 0.065 Uiso 0.345(11) 1 calc PR A 2 C47 C 0.383(2) 0.7559(14) 0.3315(10) 0.056(5) Uani 0.345(11) 1 d P A 2 H86 H 0.4167 0.7551 0.2879 0.084 Uiso 0.345(11) 1 calc PR A 2 H87 H 0.4611 0.7674 0.3531 0.084 Uiso 0.345(11) 1 calc PR A 2 H88 H 0.3047 0.8121 0.3349 0.084 Uiso 0.345(11) 1 calc PR A 2 C48 C 0.475(3) 0.5266(19) 0.3592(12) 0.063(7) Uani 0.345(11) 1 d P A 2 H89 H 0.4455 0.4577 0.3765 0.094 Uiso 0.345(11) 1 calc PR A 2 H90 H 0.5506 0.5404 0.3819 0.094 Uiso 0.345(11) 1 calc PR A 2 H91 H 0.5113 0.5285 0.3157 0.094 Uiso 0.345(11) 1 calc PR A 2 C49 C 0.258(2) 0.6357(17) 0.4493(8) 0.087(8) Uani 0.345(11) 1 d P A 2 H92 H 0.2226 0.5699 0.4695 0.131 Uiso 0.345(11) 1 calc PR A 2 H93 H 0.1816 0.6931 0.4524 0.131 Uiso 0.345(11) 1 calc PR A 2 H94 H 0.3386 0.6475 0.4696 0.131 Uiso 0.345(11) 1 calc PR A 2 C50 C 0.602(3) 0.683(2) 0.1549(19) 0.066(9) Uani 0.40(3) 1 d P B 2 H95 H 0.6233 0.6326 0.1264 0.099 Uiso 0.40(3) 1 calc PR B 2 H96 H 0.5571 0.6499 0.1944 0.099 Uiso 0.40(3) 1 calc PR B 2 H97 H 0.6915 0.7074 0.1613 0.099 Uiso 0.40(3) 1 calc PR B 2 C51 C 0.435(3) 0.889(2) 0.1711(15) 0.095(9) Uani 0.40(3) 1 d P B 2 H98 H 0.3825 0.8585 0.2097 0.143 Uiso 0.40(3) 1 calc PR B 2 H99 H 0.3741 0.9470 0.1500 0.143 Uiso 0.40(3) 1 calc PR B 2 H100 H 0.5209 0.9142 0.1802 0.143 Uiso 0.40(3) 1 calc PR B 2 C52 C 0.572(3) 0.8673(18) 0.0582(12) 0.063(6) Uani 0.60(3) 1 d P B 2 H101 H 0.6076 0.8236 0.0267 0.094 Uiso 0.60(3) 1 calc PR B 2 H102 H 0.6529 0.8945 0.0710 0.094 Uiso 0.60(3) 1 calc PR B 2 H103 H 0.5055 0.9255 0.0412 0.094 Uiso 0.60(3) 1 calc PR B 2 C53 C 0.021(4) 0.737(3) 0.0612(14) 0.067(7) Uani 0.40(3) 1 d P B 2 H104 H -0.0118 0.6905 0.0987 0.101 Uiso 0.40(3) 1 calc PR B 2 H105 H 0.0662 0.6955 0.0299 0.101 Uiso 0.40(3) 1 calc PR B 2 H106 H -0.0615 0.7827 0.0454 0.101 Uiso 0.40(3) 1 calc PR B 2 C54 C 0.047(2) 0.885(2) 0.1436(13) 0.067(6) Uani 0.40(3) 1 d P B 2 H107 H 0.0341 0.8340 0.1813 0.100 Uiso 0.40(3) 1 calc PR B 2 H108 H -0.0469 0.9157 0.1310 0.100 Uiso 0.40(3) 1 calc PR B 2 H109 H 0.0983 0.9406 0.1515 0.100 Uiso 0.40(3) 1 calc PR B 2 C55 C 0.198(5) 0.888(3) 0.0057(18) 0.069(8) Uani 0.40(3) 1 d P B 2 H110 H 0.2682 0.9357 0.0080 0.104 Uiso 0.40(3) 1 calc PR B 2 H111 H 0.1126 0.9290 -0.0100 0.104 Uiso 0.40(3) 1 calc PR B 2 H112 H 0.2396 0.8395 -0.0222 0.104 Uiso 0.40(3) 1 calc PR B 2 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 C1 0.029(3) 0.044(3) 0.035(3) 0.003(2) -0.005(2) -0.013(2) Sn1 0.0355(2) 0.03517(19) 0.03352(18) 0.00690(13) -0.00659(14) -0.01282(14) C2 0.035(3) 0.037(3) 0.034(3) 0.002(2) -0.004(2) -0.010(2) C3 0.033(3) 0.030(2) 0.033(3) -0.002(2) 0.005(2) -0.011(2) C4 0.047(3) 0.035(3) 0.031(3) -0.001(2) 0.000(2) -0.009(2) C5 0.049(3) 0.044(3) 0.033(3) 0.002(2) 0.001(2) -0.011(2) C6 0.051(3) 0.046(3) 0.041(3) -0.001(2) -0.013(3) -0.011(3) C7 0.036(3) 0.042(3) 0.044(3) -0.001(2) -0.007(2) -0.011(2) C8 0.038(3) 0.029(2) 0.032(2) -0.0005(19) -0.007(2) -0.007(2) C9 0.031(3) 0.031(2) 0.035(2) -0.001(2) 0.000(2) -0.006(2) C10 0.035(3) 0.040(3) 0.054(3) 0.011(2) -0.010(2) -0.017(2) C11 0.034(3) 0.046(3) 0.109(5) 0.002(3) -0.006(3) -0.005(3) C12 0.040(3) 0.046(3) 0.080(4) 0.004(3) -0.018(3) -0.017(3) C13 0.046(3) 0.072(4) 0.070(4) 0.025(3) -0.030(3) -0.027(3) Cr1 0.0358(4) 0.0321(4) 0.0321(4) 0.0016(3) -0.0057(3) -0.0091(3) C14 0.057(3) 0.034(3) 0.041(3) 0.001(2) -0.009(3) -0.008(2) O1 0.092(3) 0.065(3) 0.045(2) -0.0097(19) -0.023(2) -0.019(2) C15 0.046(3) 0.047(3) 0.035(3) 0.004(2) -0.011(3) -0.006(3) O2 0.054(3) 0.080(3) 0.053(2) -0.008(2) -0.004(2) 0.013(2) C16 0.042(3) 0.038(3) 0.043(3) -0.004(2) -0.006(2) -0.009(2) O3 0.061(2) 0.036(2) 0.063(2) 0.0034(18) -0.0022(19) -0.0160(18) C17 0.027(2) 0.027(2) 0.037(3) 0.0027(19) -0.007(2) -0.0070(19) C18 0.031(3) 0.034(3) 0.031(2) -0.004(2) -0.006(2) -0.008(2) C19 0.042(3) 0.026(2) 0.037(3) -0.005(2) -0.005(2) -0.008(2) C20 0.032(3) 0.029(2) 0.036(3) -0.001(2) -0.005(2) -0.007(2) C21 0.042(3) 0.035(3) 0.026(2) -0.003(2) -0.005(2) -0.010(2) C22 0.033(3) 0.030(2) 0.032(2) 0.0003(19) -0.008(2) -0.010(2) C23 0.047(3) 0.037(3) 0.035(3) -0.006(2) 0.001(2) -0.012(2) C24 0.051(3) 0.031(3) 0.040(3) 0.002(2) 0.005(2) -0.017(2) C25 0.060(3) 0.024(2) 0.030(2) 0.0021(19) -0.010(2) -0.013(2) Si1 0.061(3) 0.044(3) 0.039(2) -0.010(3) -0.0149(17) -0.006(3) Si2 0.053(4) 0.035(3) 0.049(5) -0.007(2) 0.012(4) -0.005(3) Si3 0.059(5) 0.031(6) 0.058(3) 0.013(6) -0.003(3) -0.026(6) Si4 0.053(4) 0.036(3) 0.036(5) 0.010(3) -0.012(3) -0.015(2) Si5 0.0663(11) 0.0433(8) 0.0350(8) -0.0030(6) -0.0019(7) 0.0003(8) Si6 0.0834(12) 0.0416(8) 0.0432(8) 0.0072(7) -0.0317(8) -0.0263(8) C26 0.051(7) 0.046(6) 0.057(7) 0.002(6) -0.014(7) -0.014(5) C27 0.076(8) 0.059(7) 0.097(10) -0.026(7) -0.024(8) -0.013(6) C28 0.100(8) 0.100(9) 0.037(5) -0.006(5) -0.018(5) -0.010(7) C29 0.034(10) 0.039(7) 0.055(6) -0.002(5) -0.014(8) 0.022(8) C30 0.045(7) 0.078(9) 0.099(15) -0.036(13) 0.014(12) -0.003(6) C31 0.100(19) 0.096(13) 0.071(11) 0.010(9) 0.048(13) 0.035(12) C32 0.061(11) 0.060(14) 0.111(14) 0.023(10) -0.014(9) 0.012(9) C33 0.103(11) 0.068(11) 0.083(9) 0.007(7) -0.034(8) -0.047(9) C34 0.066(14) 0.041(17) 0.109(19) -0.013(13) 0.001(12) -0.042(13) C35 0.071(12) 0.078(15) 0.29(4) 0.067(19) -0.12(2) -0.036(11) C36 0.19(3) 0.088(14) 0.110(14) -0.051(12) -0.055(18) 0.093(16) C37 0.076(11) 0.075(14) 0.079(16) 0.049(12) -0.023(10) -0.026(11) C38 0.048(4) 0.099(5) 0.054(4) -0.006(3) -0.007(3) 0.004(3) C39 0.128(7) 0.048(4) 0.078(5) -0.011(3) 0.010(4) 0.013(4) C40 0.074(4) 0.073(4) 0.055(4) -0.001(3) 0.003(3) -0.006(3) C41 0.100(5) 0.074(4) 0.046(3) 0.000(3) -0.029(3) -0.018(4) C42 0.173(8) 0.062(4) 0.091(5) 0.010(4) -0.079(5) -0.053(5) C43 0.064(4) 0.089(5) 0.066(4) 0.022(3) -0.030(3) -0.027(4) Si7 0.081(10) 0.061(9) 0.050(10) -0.013(5) 0.042(6) -0.025(6) Si8 0.065(6) 0.047(7) 0.043(4) -0.005(5) -0.011(3) -0.008(6) Si9 0.063(6) 0.014(6) 0.055(5) 0.011(6) -0.004(4) -0.022(6) Si10 0.051(6) 0.037(4) 0.029(5) -0.004(3) -0.015(3) -0.001(4) C44 0.028(14) 0.071(14) 0.057(17) -0.030(16) -0.002(13) -0.007(11) C45 0.08(3) 0.036(14) 0.10(3) 0.002(13) 0.04(2) -0.016(16) C46 0.012(13) 0.030(13) 0.079(15) -0.006(10) 0.007(13) 0.016(12) C47 0.056(11) 0.046(10) 0.074(13) -0.008(10) -0.013(11) -0.026(8) C48 0.067(17) 0.034(11) 0.089(19) 0.001(14) -0.025(16) -0.013(11) C49 0.121(18) 0.097(18) 0.053(11) -0.003(10) -0.037(12) -0.030(14) C50 0.043(16) 0.038(15) 0.11(2) 0.033(14) -0.023(13) -0.020(12) C51 0.13(2) 0.061(16) 0.11(2) -0.024(14) -0.019(15) -0.053(14) C52 0.072(10) 0.038(12) 0.075(12) 0.022(10) -0.009(8) -0.038(10) C53 0.061(15) 0.072(13) 0.083(14) -0.006(10) -0.037(11) -0.041(10) C54 0.052(12) 0.073(14) 0.074(12) -0.003(10) -0.019(9) -0.007(10) C55 0.080(18) 0.075(18) 0.063(12) -0.005(12) -0.026(11) -0.037(13) _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 C1 C8 1.425(6) . ? C1 Sn1 2.035(5) . ? C1 Cr1 2.306(5) . ? C1 H1 0.86(4) . ? Sn1 C2 2.093(4) . ? Sn1 C17 2.128(4) . ? Sn1 Cr1 2.7537(8) . ? C2 C3 1.379(6) . ? C2 C10 1.533(6) . ? C2 Cr1 2.417(5) . ? C3 C9 1.443(6) . ? C3 Cr1 2.244(5) . ? C3 H2 0.92(4) . ? C4 C5 1.353(6) . ? C4 C9 1.439(6) . ? C4 H3 0.9500 . ? C5 C6 1.408(7) . ? C5 H4 0.9500 . ? C6 C7 1.363(6) . ? C6 H5 0.9500 . ? C7 C8 1.448(6) . ? C7 H6 0.9500 . ? C8 C9 1.427(6) . ? C8 Cr1 2.317(4) . ? C9 Cr1 2.284(5) . ? C10 C13 1.516(7) . ? C10 C11 1.537(7) . ? C10 C12 1.540(6) . ? C11 H7 0.9800 . ? C11 H8 0.9800 . ? C11 H9 0.9800 . ? C12 H10 0.9800 . ? C12 H11 0.9800 . ? C12 H12 0.9800 . ? C13 H13 0.9800 . ? C13 H14 0.9800 . ? C13 H15 0.9800 . ? Cr1 C14 1.825(5) . ? Cr1 C16 1.833(5) . ? Cr1 C15 1.837(6) . ? C14 O1 1.168(6) . ? C15 O2 1.161(6) . ? C16 O3 1.161(5) . ? C17 C18 1.401(6) . ? C17 C22 1.405(6) . ? C18 C19 1.409(6) . ? C18 C23 1.519(6) . ? C19 C20 1.389(6) . ? C19 H16 0.9500 . ? C20 C21 1.388(6) . ? C20 C24 1.524(6) . ? C21 C22 1.396(6) . ? C21 H17 0.9500 . ? C22 C25 1.509(6) . ? C23 Si7 1.87(3) . ? C23 Si8 1.879(18) . ? C23 Si2 1.919(13) . ? C23 Si1 1.947(10) . ? C23 H18 1.0000 . ? C23 H19 1.0000 . ? C24 Si4 1.843(16) . ? C24 Si3 1.89(2) . ? C24 Si9 1.92(3) . ? C24 Si10 2.01(2) . ? C24 H20 1.0000 . ? C24 H21 1.0000 . ? C25 Si5 1.903(5) . ? C25 Si6 1.907(5) . ? C25 H22 1.0000 . ? Si1 C26 1.859(16) . ? Si1 C27 1.869(11) . ? Si1 C28 1.879(11) . ? Si2 C30 1.78(3) . ? Si2 C31 1.83(3) . ? Si2 C29 1.86(3) . ? Si3 C32 1.89(3) . ? Si3 C33 1.90(3) . ? Si3 C34 1.91(5) . ? Si4 C36 1.77(2) . ? Si4 C35 1.77(2) . ? Si4 C37 1.90(3) . ? Si5 C38 1.856(6) . ? Si5 C39 1.869(6) . ? Si5 C40 1.873(6) . ? Si6 C42 1.868(6) . ? Si6 C41 1.872(6) . ? Si6 C43 1.874(7) . ? C26 H23 0.9800 . ? C26 H24 0.9800 . ? C26 H25 0.9800 . ? C27 H26 0.9800 . ? C27 H27 0.9800 . ? C27 H28 0.9800 . ? C28 H29 0.9800 . ? C28 H30 0.9800 . ? C28 H31 0.9800 . ? C29 H32 0.9800 . ? C29 H33 0.9800 . ? C29 H34 0.9800 . ? C30 H35 0.9800 . ? C30 H36 0.9800 . ? C30 H37 0.9800 . ? C31 H38 0.9800 . ? C31 H39 0.9800 . ? C31 H40 0.9800 . ? C32 H41 0.9800 . ? C32 H42 0.9800 . ? C32 H43 0.9800 . ? C33 H44 0.9800 . ? C33 H45 0.9800 . ? C33 H46 0.9800 . ? C34 H47 0.9800 . ? C34 H48 0.9800 . ? C34 H49 0.9800 . ? C35 H50 0.9800 . ? C35 H51 0.9800 . ? C35 H52 0.9800 . ? C36 H53 0.9800 . ? C36 H54 0.9800 . ? C36 H55 0.9800 . ? C37 H56 0.9800 . ? C37 H57 0.9800 . ? C37 H58 0.9800 . ? C38 H59 0.9800 . ? C38 H60 0.9800 . ? C38 H61 0.9800 . ? C39 H62 0.9800 . ? C39 H63 0.9800 . ? C39 H64 0.9800 . ? C40 H65 0.9800 . ? C40 H66 0.9800 . ? C40 H67 0.9800 . ? C41 H68 0.9800 . ? C41 H69 0.9800 . ? C41 H70 0.9800 . ? C42 H71 0.9800 . ? C42 H72 0.9800 . ? C42 H73 0.9800 . ? C43 H74 0.9800 . ? C43 H75 0.9800 . ? C43 H76 0.9800 . ? Si7 C46 1.91(5) . ? Si7 C45 2.00(6) . ? Si7 C44 2.01(5) . ? Si8 C47 1.86(2) . ? Si8 C49 1.87(2) . ? Si8 C48 1.88(3) . ? Si9 C52 1.77(4) . ? Si9 C51 1.79(4) . ? Si9 C50 1.80(4) . ? Si10 C55 1.76(5) . ? Si10 C53 1.89(3) . ? Si10 C54 1.90(4) . ? C44 H77 0.9800 . ? C44 H78 0.9800 . ? C44 H79 0.9800 . ? C45 H80 0.9800 . ? C45 H81 0.9800 . ? C45 H82 0.9800 . ? C46 H83 0.9800 . ? C46 H84 0.9800 . ? C46 H85 0.9800 . ? C47 H86 0.9800 . ? C47 H87 0.9800 . ? C47 H88 0.9800 . ? C48 H89 0.9800 . ? C48 H90 0.9800 . ? C48 H91 0.9800 . ? C49 H92 0.9800 . ? C49 H93 0.9800 . ? C49 H94 0.9800 . ? C50 H95 0.9800 . ? C50 H96 0.9800 . ? C50 H97 0.9800 . ? C51 H98 0.9800 . ? C51 H99 0.9800 . ? C51 H100 0.9800 . ? C52 H101 0.9800 . ? C52 H102 0.9800 . ? C52 H103 0.9800 . ? C53 H104 0.9800 . ? C53 H105 0.9800 . ? C53 H106 0.9800 . ? C54 H107 0.9800 . ? C54 H108 0.9800 . ? C54 H109 0.9800 . ? C55 H110 0.9800 . ? C55 H111 0.9800 . ? C55 H112 0.9800 . ? 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 C1 Sn1 125.9(4) . . ? C8 C1 Cr1 72.5(3) . . ? Sn1 C1 Cr1 78.47(16) . . ? C8 C1 H1 115(3) . . ? Sn1 C1 H1 119(3) . . ? Cr1 C1 H1 122(3) . . ? C1 Sn1 C2 94.36(18) . . ? C1 Sn1 C17 124.63(18) . . ? C2 Sn1 C17 140.05(17) . . ? C1 Sn1 Cr1 55.14(13) . . ? C2 Sn1 Cr1 57.91(13) . . ? C17 Sn1 Cr1 150.50(12) . . ? C3 C2 C10 119.3(4) . . ? C3 C2 Sn1 118.3(3) . . ? C10 C2 Sn1 122.4(3) . . ? C3 C2 Cr1 66.0(3) . . ? C10 C2 Cr1 130.2(3) . . ? Sn1 C2 Cr1 74.89(14) . . ? C2 C3 C9 132.5(4) . . ? C2 C3 Cr1 79.8(3) . . ? C9 C3 Cr1 72.9(3) . . ? C2 C3 H2 118(2) . . ? C9 C3 H2 110(2) . . ? Cr1 C3 H2 122(2) . . ? C5 C4 C9 122.1(4) . . ? C5 C4 H3 119.0 . . ? C9 C4 H3 119.0 . . ? C4 C5 C6 119.8(4) . . ? C4 C5 H4 120.1 . . ? C6 C5 H4 120.1 . . ? C7 C6 C5 120.8(5) . . ? C7 C6 H5 119.6 . . ? C5 C6 H5 119.6 . . ? C6 C7 C8 121.5(5) . . ? C6 C7 H6 119.2 . . ? C8 C7 H6 119.2 . . ? C1 C8 C9 123.1(4) . . ? C1 C8 C7 119.6(4) . . ? C9 C8 C7 117.2(4) . . ? C1 C8 Cr1 71.6(3) . . ? C9 C8 Cr1 70.7(3) . . ? C7 C8 Cr1 129.8(3) . . ? C8 C9 C4 118.5(4) . . ? C8 C9 C3 124.5(4) . . ? C4 C9 C3 116.9(4) . . ? C8 C9 Cr1 73.2(3) . . ? C4 C9 Cr1 130.5(3) . . ? C3 C9 Cr1 69.9(3) . . ? C13 C10 C2 110.6(4) . . ? C13 C10 C11 108.8(4) . . ? C2 C10 C11 106.9(4) . . ? C13 C10 C12 108.7(4) . . ? C2 C10 C12 112.9(4) . . ? C11 C10 C12 108.8(4) . . ? C10 C11 H7 109.5 . . ? C10 C11 H8 109.5 . . ? H7 C11 H8 109.5 . . ? C10 C11 H9 109.5 . . ? H7 C11 H9 109.5 . . ? H8 C11 H9 109.5 . . ? C10 C12 H10 109.5 . . ? C10 C12 H11 109.5 . . ? H10 C12 H11 109.5 . . ? C10 C12 H12 109.5 . . ? H10 C12 H12 109.5 . . ? H11 C12 H12 109.5 . . ? C10 C13 H13 109.5 . . ? C10 C13 H14 109.5 . . ? H13 C13 H14 109.5 . . ? C10 C13 H15 109.5 . . ? H13 C13 H15 109.5 . . ? H14 C13 H15 109.5 . . ? C14 Cr1 C16 89.1(2) . . ? C14 Cr1 C15 86.7(2) . . ? C16 Cr1 C15 90.6(2) . . ? C14 Cr1 C3 115.5(2) . . ? C16 Cr1 C3 86.06(19) . . ? C15 Cr1 C3 157.39(19) . . ? C14 Cr1 C9 152.5(2) . . ? C16 Cr1 C9 85.90(19) . . ? C15 Cr1 C9 120.34(19) . . ? C3 Cr1 C9 37.14(15) . . ? C14 Cr1 C1 124.83(19) . . ? C16 Cr1 C1 145.70(19) . . ? C15 Cr1 C1 87.1(2) . . ? C3 Cr1 C1 83.22(18) . . ? C9 Cr1 C1 66.21(16) . . ? C14 Cr1 C8 160.64(18) . . ? C16 Cr1 C8 110.23(18) . . ? C15 Cr1 C8 92.78(19) . . ? C3 Cr1 C8 67.64(16) . . ? C9 Cr1 C8 36.12(15) . . ? C1 Cr1 C8 35.91(15) . . ? C14 Cr1 C2 89.47(19) . . ? C16 Cr1 C2 108.09(19) . . ? C15 Cr1 C2 160.85(18) . . ? C3 Cr1 C2 34.17(15) . . ? C9 Cr1 C2 66.58(15) . . ? C1 Cr1 C2 79.71(17) . . ? C8 Cr1 C2 84.65(16) . . ? C14 Cr1 Sn1 87.84(15) . . ? C16 Cr1 Sn1 155.11(16) . . ? C15 Cr1 Sn1 113.84(15) . . ? C3 Cr1 Sn1 73.08(11) . . ? C9 Cr1 Sn1 85.45(11) . . ? C1 Cr1 Sn1 46.39(11) . . ? C8 Cr1 Sn1 74.64(10) . . ? C2 Cr1 Sn1 47.20(10) . . ? O1 C14 Cr1 177.1(4) . . ? O2 C15 Cr1 177.2(4) . . ? O3 C16 Cr1 177.1(4) . . ? C18 C17 C22 122.1(4) . . ? C18 C17 Sn1 115.4(3) . . ? C22 C17 Sn1 122.2(3) . . ? C17 C18 C19 117.9(4) . . ? C17 C18 C23 123.4(4) . . ? C19 C18 C23 118.7(4) . . ? C20 C19 C18 121.8(4) . . ? C20 C19 H16 119.1 . . ? C18 C19 H16 119.1 . . ? C21 C20 C19 118.0(4) . . ? C21 C20 C24 120.3(4) . . ? C19 C20 C24 121.8(4) . . ? C20 C21 C22 123.3(4) . . ? C20 C21 H17 118.4 . . ? C22 C21 H17 118.4 . . ? C21 C22 C17 116.9(4) . . ? C21 C22 C25 118.8(4) . . ? C17 C22 C25 124.3(4) . . ? C18 C23 Si7 109.2(12) . . ? C18 C23 Si8 114.8(6) . . ? Si7 C23 Si8 111.5(12) . . ? C18 C23 Si2 115.1(6) . . ? Si7 C23 Si2 6.3(17) . . ? Si8 C23 Si2 109.4(7) . . ? C18 C23 Si1 111.6(4) . . ? Si7 C23 Si1 125.1(11) . . ? Si8 C23 Si1 15.4(3) . . ? Si2 C23 Si1 122.1(6) . . ? C18 C23 H18 101.2 . . ? Si7 C23 H18 105.0 . . ? Si8 C23 H18 114.1 . . ? Si2 C23 H18 101.2 . . ? Si1 C23 H18 101.2 . . ? C18 C23 H19 107.0 . . ? Si7 C23 H19 107.0 . . ? Si8 C23 H19 107.0 . . ? Si2 C23 H19 102.5 . . ? Si1 C23 H19 94.5 . . ? H18 C23 H19 7.5 . . ? C20 C24 Si4 112.5(6) . . ? C20 C24 Si3 108.3(6) . . ? Si4 C24 Si3 121.5(6) . . ? C20 C24 Si9 116.2(9) . . ? Si4 C24 Si9 110.7(8) . . ? Si3 C24 Si9 10.8(9) . . ? C20 C24 Si10 111.1(7) . . ? Si4 C24 Si10 9.7(8) . . ? Si3 C24 Si10 129.3(7) . . ? Si9 C24 Si10 118.5(9) . . ? C20 C24 H20 104.3 . . ? Si4 C24 H20 104.2 . . ? Si3 C24 H20 104.3 . . ? Si9 C24 H20 107.9 . . ? Si10 C24 H20 95.7 . . ? C20 C24 H21 102.7 . . ? Si4 C24 H21 111.2 . . ? Si3 C24 H21 98.2 . . ? Si9 C24 H21 102.7 . . ? Si10 C24 H21 102.7 . . ? H20 C24 H21 7.3 . . ? C22 C25 Si5 110.8(3) . . ? C22 C25 Si6 111.8(3) . . ? Si5 C25 Si6 118.9(2) . . ? C22 C25 H22 104.6 . . ? Si5 C25 H22 104.6 . . ? Si6 C25 H22 104.6 . . ? C26 Si1 C27 107.2(7) . . ? C26 Si1 C28 109.7(6) . . ? C27 Si1 C28 109.0(7) . . ? C26 Si1 C23 109.9(6) . . ? C27 Si1 C23 112.0(5) . . ? C28 Si1 C23 109.0(6) . . ? C30 Si2 C31 113.2(13) . . ? C30 Si2 C29 110.8(12) . . ? C31 Si2 C29 110.1(13) . . ? C30 Si2 C23 109.3(11) . . ? C31 Si2 C23 104.7(10) . . ? C29 Si2 C23 108.5(9) . . ? C24 Si3 C32 111.1(11) . . ? C24 Si3 C33 115.2(13) . . ? C32 Si3 C33 106.7(15) . . ? C24 Si3 C34 101.1(17) . . ? C32 Si3 C34 104(2) . . ? C33 Si3 C34 118.4(13) . . ? C36 Si4 C35 109.9(15) . . ? C36 Si4 C24 117.7(8) . . ? C35 Si4 C24 107.4(10) . . ? C36 Si4 C37 98.8(16) . . ? C35 Si4 C37 111.8(13) . . ? C24 Si4 C37 111.2(13) . . ? C38 Si5 C39 108.6(3) . . ? C38 Si5 C40 106.5(3) . . ? C39 Si5 C40 109.9(3) . . ? C38 Si5 C25 108.6(2) . . ? C39 Si5 C25 108.7(3) . . ? C40 Si5 C25 114.3(2) . . ? C42 Si6 C41 107.7(3) . . ? C42 Si6 C43 108.9(3) . . ? C41 Si6 C43 107.8(3) . . ? C42 Si6 C25 109.9(2) . . ? C41 Si6 C25 113.5(2) . . ? C43 Si6 C25 109.0(2) . . ? Si1 C26 H23 109.5 . . ? Si1 C26 H24 109.5 . . ? H23 C26 H24 109.5 . . ? Si1 C26 H25 109.5 . . ? H23 C26 H25 109.5 . . ? H24 C26 H25 109.5 . . ? Si1 C27 H26 109.5 . . ? Si1 C27 H27 109.5 . . ? H26 C27 H27 109.5 . . ? Si1 C27 H28 109.5 . . ? H26 C27 H28 109.5 . . ? H27 C27 H28 109.5 . . ? Si1 C28 H29 109.5 . . ? Si1 C28 H30 109.5 . . ? H29 C28 H30 109.5 . . ? Si1 C28 H31 109.5 . . ? H29 C28 H31 109.5 . . ? H30 C28 H31 109.5 . . ? Si2 C29 H32 109.5 . . ? Si2 C29 H33 109.5 . . ? H32 C29 H33 109.5 . . ? Si2 C29 H34 109.4 . . ? H32 C29 H34 109.5 . . ? H33 C29 H34 109.5 . . ? Si2 C30 H35 109.5 . . ? Si2 C30 H36 109.5 . . ? H35 C30 H36 109.5 . . ? Si2 C30 H37 109.5 . . ? H35 C30 H37 109.5 . . ? H36 C30 H37 109.5 . . ? Si2 C31 H38 109.5 . . ? Si2 C31 H39 109.5 . . ? H38 C31 H39 109.5 . . ? Si2 C31 H40 109.5 . . ? H38 C31 H40 109.5 . . ? H39 C31 H40 109.5 . . ? Si3 C32 H41 109.5 . . ? Si3 C32 H42 109.5 . . ? H41 C32 H42 109.5 . . ? Si3 C32 H43 109.5 . . ? H41 C32 H43 109.5 . . ? H42 C32 H43 109.5 . . ? Si3 C33 H44 109.5 . . ? Si3 C33 H45 109.5 . . ? H44 C33 H45 109.5 . . ? Si3 C33 H46 109.5 . . ? H44 C33 H46 109.5 . . ? H45 C33 H46 109.5 . . ? Si3 C34 H47 109.5 . . ? Si3 C34 H48 109.5 . . ? H47 C34 H48 109.5 . . ? Si3 C34 H49 109.5 . . ? H47 C34 H49 109.5 . . ? H48 C34 H49 109.5 . . ? Si4 C35 H50 109.5 . . ? Si4 C35 H51 109.5 . . ? H50 C35 H51 109.5 . . ? Si4 C35 H52 109.5 . . ? H50 C35 H52 109.5 . . ? H51 C35 H52 109.5 . . ? Si4 C36 H53 109.5 . . ? Si4 C36 H54 109.5 . . ? H53 C36 H54 109.5 . . ? Si4 C36 H55 109.5 . . ? H53 C36 H55 109.5 . . ? H54 C36 H55 109.5 . . ? Si4 C37 H56 109.5 . . ? Si4 C37 H57 109.5 . . ? H56 C37 H57 109.5 . . ? Si4 C37 H58 109.5 . . ? H56 C37 H58 109.5 . . ? H57 C37 H58 109.5 . . ? Si5 C38 H59 109.5 . . ? Si5 C38 H60 109.5 . . ? H59 C38 H60 109.5 . . ? Si5 C38 H61 109.5 . . ? H59 C38 H61 109.5 . . ? H60 C38 H61 109.5 . . ? Si5 C39 H62 109.5 . . ? Si5 C39 H63 109.5 . . ? H62 C39 H63 109.5 . . ? Si5 C39 H64 109.5 . . ? H62 C39 H64 109.5 . . ? H63 C39 H64 109.5 . . ? Si5 C40 H65 109.5 . . ? Si5 C40 H66 109.5 . . ? H65 C40 H66 109.5 . . ? Si5 C40 H67 109.5 . . ? H65 C40 H67 109.5 . . ? H66 C40 H67 109.5 . . ? Si6 C41 H68 109.5 . . ? Si6 C41 H69 109.5 . . ? H68 C41 H69 109.5 . . ? Si6 C41 H70 109.5 . . ? H68 C41 H70 109.5 . . ? H69 C41 H70 109.5 . . ? Si6 C42 H71 109.5 . . ? Si6 C42 H72 109.5 . . ? H71 C42 H72 109.5 . . ? Si6 C42 H73 109.5 . . ? H71 C42 H73 109.5 . . ? H72 C42 H73 109.5 . . ? Si6 C43 H74 109.5 . . ? Si6 C43 H75 109.5 . . ? H74 C43 H75 109.5 . . ? Si6 C43 H76 109.5 . . ? H74 C43 H76 109.5 . . ? H75 C43 H76 109.5 . . ? C23 Si7 C46 128(2) . . ? C23 Si7 C45 111.0(19) . . ? C46 Si7 C45 102(2) . . ? C23 Si7 C44 107(2) . . ? C46 Si7 C44 102(2) . . ? C45 Si7 C44 104(2) . . ? C47 Si8 C49 106.9(12) . . ? C47 Si8 C23 119.4(9) . . ? C49 Si8 C23 109.0(11) . . ? C47 Si8 C48 106.4(13) . . ? C49 Si8 C48 110.2(13) . . ? C23 Si8 C48 104.6(11) . . ? C52 Si9 C51 99.5(13) . . ? C52 Si9 C50 111(2) . . ? C51 Si9 C50 114(2) . . ? C52 Si9 C24 117(2) . . ? C51 Si9 C24 112.7(19) . . ? C50 Si9 C24 102.7(13) . . ? C55 Si10 C53 100.0(15) . . ? C55 Si10 C54 122(2) . . ? C53 Si10 C54 102.3(16) . . ? C55 Si10 C24 109.5(19) . . ? C53 Si10 C24 110.2(15) . . ? C54 Si10 C24 111.7(11) . . ? Si7 C44 H77 109.5 . . ? Si7 C44 H78 109.5 . . ? H77 C44 H78 109.5 . . ? Si7 C44 H79 109.5 . . ? H77 C44 H79 109.5 . . ? H78 C44 H79 109.5 . . ? Si7 C45 H80 109.5 . . ? Si7 C45 H81 109.5 . . ? H80 C45 H81 109.5 . . ? Si7 C45 H82 109.5 . . ? H80 C45 H82 109.5 . . ? H81 C45 H82 109.5 . . ? Si7 C46 H83 109.4 . . ? Si7 C46 H84 109.6 . . ? H83 C46 H84 109.5 . . ? Si7 C46 H85 109.4 . . ? H83 C46 H85 109.5 . . ? H84 C46 H85 109.5 . . ? Si8 C47 H86 109.5 . . ? Si8 C47 H87 109.5 . . ? H86 C47 H87 109.5 . . ? Si8 C47 H88 109.5 . . ? H86 C47 H88 109.5 . . ? H87 C47 H88 109.5 . . ? Si8 C48 H89 109.5 . . ? Si8 C48 H90 109.5 . . ? H89 C48 H90 109.5 . . ? Si8 C48 H91 109.5 . . ? H89 C48 H91 109.5 . . ? H90 C48 H91 109.5 . . ? Si8 C49 H92 109.5 . . ? Si8 C49 H93 109.5 . . ? H92 C49 H93 109.5 . . ? Si8 C49 H94 109.5 . . ? H92 C49 H94 109.5 . . ? H93 C49 H94 109.5 . . ? Si9 C50 H95 109.5 . . ? Si9 C50 H96 109.5 . . ? H95 C50 H96 109.5 . . ? Si9 C50 H97 109.5 . . ? H95 C50 H97 109.5 . . ? H96 C50 H97 109.5 . . ? Si9 C51 H98 109.5 . . ? Si9 C51 H99 109.5 . . ? H98 C51 H99 109.5 . . ? Si9 C51 H100 109.5 . . ? H98 C51 H100 109.5 . . ? H99 C51 H100 109.5 . . ? Si9 C52 H101 109.5 . . ? Si9 C52 H102 109.5 . . ? H101 C52 H102 109.5 . . ? Si9 C52 H103 109.5 . . ? H101 C52 H103 109.5 . . ? H102 C52 H103 109.5 . . ? Si10 C53 H104 109.5 . . ? Si10 C53 H105 109.5 . . ? H104 C53 H105 109.5 . . ? Si10 C53 H106 109.5 . . ? H104 C53 H106 109.5 . . ? H105 C53 H106 109.5 . . ? Si10 C54 H107 109.5 . . ? Si10 C54 H108 109.5 . . ? H107 C54 H108 109.5 . . ? Si10 C54 H109 109.5 . . ? H107 C54 H109 109.5 . . ? H108 C54 H109 109.5 . . ? Si10 C55 H110 109.5 . . ? Si10 C55 H111 109.5 . . ? H110 C55 H111 109.5 . . ? Si10 C55 H112 109.5 . . ? H110 C55 H112 109.5 . . ? H111 C55 H112 109.5 . . ? 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 C8 C1 Sn1 C2 -12.8(4) . . . . ? Cr1 C1 Sn1 C2 45.39(17) . . . . ? C8 C1 Sn1 C17 157.9(4) . . . . ? Cr1 C1 Sn1 C17 -143.90(16) . . . . ? C8 C1 Sn1 Cr1 -58.2(4) . . . . ? C1 Sn1 C2 C3 7.8(4) . . . . ? C17 Sn1 C2 C3 -160.2(3) . . . . ? Cr1 Sn1 C2 C3 51.4(3) . . . . ? C1 Sn1 C2 C10 -172.0(4) . . . . ? C17 Sn1 C2 C10 20.0(5) . . . . ? Cr1 Sn1 C2 C10 -128.4(4) . . . . ? C1 Sn1 C2 Cr1 -43.59(17) . . . . ? C17 Sn1 C2 Cr1 148.3(2) . . . . ? C10 C2 C3 C9 179.5(5) . . . . ? Sn1 C2 C3 C9 -0.3(7) . . . . ? Cr1 C2 C3 C9 55.3(5) . . . . ? C10 C2 C3 Cr1 124.1(4) . . . . ? Sn1 C2 C3 Cr1 -55.7(3) . . . . ? C9 C4 C5 C6 -1.7(7) . . . . ? C4 C5 C6 C7 -0.1(8) . . . . ? C5 C6 C7 C8 2.9(7) . . . . ? Sn1 C1 C8 C9 10.0(7) . . . . ? Cr1 C1 C8 C9 -50.8(4) . . . . ? Sn1 C1 C8 C7 -173.2(3) . . . . ? Cr1 C1 C8 C7 126.0(4) . . . . ? Sn1 C1 C8 Cr1 60.8(3) . . . . ? C6 C7 C8 C1 179.4(5) . . . . ? C6 C7 C8 C9 -3.6(7) . . . . ? C6 C7 C8 Cr1 -90.5(6) . . . . ? C1 C8 C9 C4 178.7(4) . . . . ? C7 C8 C9 C4 1.8(6) . . . . ? Cr1 C8 C9 C4 127.5(4) . . . . ? C1 C8 C9 C3 1.2(7) . . . . ? C7 C8 C9 C3 -175.6(4) . . . . ? Cr1 C8 C9 C3 -50.0(4) . . . . ? C1 C8 C9 Cr1 51.2(4) . . . . ? C7 C8 C9 Cr1 -125.6(4) . . . . ? C5 C4 C9 C8 0.8(7) . . . . ? C5 C4 C9 C3 178.4(4) . . . . ? C5 C4 C9 Cr1 92.6(5) . . . . ? C2 C3 C9 C8 -6.5(8) . . . . ? Cr1 C3 C9 C8 51.3(4) . . . . ? C2 C3 C9 C4 176.0(5) . . . . ? Cr1 C3 C9 C4 -126.2(4) . . . . ? C2 C3 C9 Cr1 -57.9(5) . . . . ? C3 C2 C10 C13 -168.0(5) . . . . ? Sn1 C2 C10 C13 11.9(6) . . . . ? Cr1 C2 C10 C13 -85.7(5) . . . . ? C3 C2 C10 C11 73.7(5) . . . . ? Sn1 C2 C10 C11 -106.5(4) . . . . ? Cr1 C2 C10 C11 155.9(3) . . . . ? C3 C2 C10 C12 -46.0(6) . . . . ? Sn1 C2 C10 C12 133.9(4) . . . . ? Cr1 C2 C10 C12 36.3(6) . . . . ? C2 C3 Cr1 C14 -43.8(3) . . . . ? C9 C3 Cr1 C14 175.6(3) . . . . ? C2 C3 Cr1 C16 -131.0(3) . . . . ? C9 C3 Cr1 C16 88.4(3) . . . . ? C2 C3 Cr1 C15 146.9(5) . . . . ? C9 C3 Cr1 C15 6.3(6) . . . . ? C2 C3 Cr1 C9 140.6(4) . . . . ? C2 C3 Cr1 C1 81.7(3) . . . . ? C9 C3 Cr1 C1 -59.0(3) . . . . ? C2 C3 Cr1 C8 115.2(3) . . . . ? C9 C3 Cr1 C8 -25.4(2) . . . . ? C9 C3 Cr1 C2 -140.6(4) . . . . ? C2 C3 Cr1 Sn1 35.3(2) . . . . ? C9 C3 Cr1 Sn1 -105.3(2) . . . . ? C8 C9 Cr1 C14 -146.5(4) . . . . ? C4 C9 Cr1 C14 100.1(5) . . . . ? C3 C9 Cr1 C14 -8.7(5) . . . . ? C8 C9 Cr1 C16 133.3(3) . . . . ? C4 C9 Cr1 C16 19.9(4) . . . . ? C3 C9 Cr1 C16 -88.9(3) . . . . ? C8 C9 Cr1 C15 45.0(3) . . . . ? C4 C9 Cr1 C15 -68.4(5) . . . . ? C3 C9 Cr1 C15 -177.2(3) . . . . ? C8 C9 Cr1 C3 -137.8(4) . . . . ? C4 C9 Cr1 C3 108.8(5) . . . . ? C8 C9 Cr1 C1 -26.2(2) . . . . ? C4 C9 Cr1 C1 -139.6(5) . . . . ? C3 C9 Cr1 C1 111.6(3) . . . . ? C4 C9 Cr1 C8 -113.4(5) . . . . ? C3 C9 Cr1 C8 137.8(4) . . . . ? C8 C9 Cr1 C2 -114.9(3) . . . . ? C4 C9 Cr1 C2 131.6(5) . . . . ? C3 C9 Cr1 C2 22.9(2) . . . . ? C8 C9 Cr1 Sn1 -70.0(2) . . . . ? C4 C9 Cr1 Sn1 176.5(4) . . . . ? C3 C9 Cr1 Sn1 67.8(2) . . . . ? C8 C1 Cr1 C14 177.2(3) . . . . ? Sn1 C1 Cr1 C14 43.4(3) . . . . ? C8 C1 Cr1 C16 -12.0(5) . . . . ? Sn1 C1 Cr1 C16 -145.8(3) . . . . ? C8 C1 Cr1 C15 -98.8(3) . . . . ? Sn1 C1 Cr1 C15 127.40(19) . . . . ? C8 C1 Cr1 C3 60.7(3) . . . . ? Sn1 C1 Cr1 C3 -73.05(17) . . . . ? C8 C1 Cr1 C9 26.3(3) . . . . ? Sn1 C1 Cr1 C9 -107.5(2) . . . . ? Sn1 C1 Cr1 C8 -133.8(3) . . . . ? C8 C1 Cr1 C2 95.1(3) . . . . ? Sn1 C1 Cr1 C2 -38.67(15) . . . . ? C8 C1 Cr1 Sn1 133.8(3) . . . . ? C1 C8 Cr1 C14 -6.9(7) . . . . ? C9 C8 Cr1 C14 129.6(6) . . . . ? C7 C8 Cr1 C14 -120.6(6) . . . . ? C1 C8 Cr1 C16 172.8(3) . . . . ? C9 C8 Cr1 C16 -50.6(3) . . . . ? C7 C8 Cr1 C16 59.2(5) . . . . ? C1 C8 Cr1 C15 81.2(3) . . . . ? C9 C8 Cr1 C15 -142.3(3) . . . . ? C7 C8 Cr1 C15 -32.5(4) . . . . ? C1 C8 Cr1 C3 -110.5(3) . . . . ? C9 C8 Cr1 C3 26.0(2) . . . . ? C7 C8 Cr1 C3 135.9(4) . . . . ? C1 C8 Cr1 C9 -136.5(4) . . . . ? C7 C8 Cr1 C9 109.8(5) . . . . ? C9 C8 Cr1 C1 136.5(4) . . . . ? C7 C8 Cr1 C1 -113.6(5) . . . . ? C1 C8 Cr1 C2 -79.8(3) . . . . ? C9 C8 Cr1 C2 56.7(2) . . . . ? C7 C8 Cr1 C2 166.5(4) . . . . ? C1 C8 Cr1 Sn1 -32.8(3) . . . . ? C9 C8 Cr1 Sn1 103.7(2) . . . . ? C7 C8 Cr1 Sn1 -146.5(4) . . . . ? C3 C2 Cr1 C14 141.3(3) . . . . ? C10 C2 Cr1 C14 32.3(4) . . . . ? Sn1 C2 Cr1 C14 -87.55(18) . . . . ? C3 C2 Cr1 C16 52.4(3) . . . . ? C10 C2 Cr1 C16 -56.6(4) . . . . ? Sn1 C2 Cr1 C16 -176.46(17) . . . . ? C3 C2 Cr1 C15 -140.2(6) . . . . ? C10 C2 Cr1 C15 110.8(6) . . . . ? Sn1 C2 Cr1 C15 -9.1(6) . . . . ? C10 C2 Cr1 C3 -109.0(5) . . . . ? Sn1 C2 Cr1 C3 131.1(3) . . . . ? C3 C2 Cr1 C9 -24.7(3) . . . . ? C10 C2 Cr1 C9 -133.7(4) . . . . ? Sn1 C2 Cr1 C9 106.46(17) . . . . ? C3 C2 Cr1 C1 -93.1(3) . . . . ? C10 C2 Cr1 C1 157.9(4) . . . . ? Sn1 C2 Cr1 C1 38.06(14) . . . . ? C3 C2 Cr1 C8 -57.2(3) . . . . ? C10 C2 Cr1 C8 -166.2(4) . . . . ? Sn1 C2 Cr1 C8 73.99(14) . . . . ? C3 C2 Cr1 Sn1 -131.1(3) . . . . ? C10 C2 Cr1 Sn1 119.9(4) . . . . ? C1 Sn1 Cr1 C14 -145.6(2) . . . . ? C2 Sn1 Cr1 C14 91.3(2) . . . . ? C17 Sn1 Cr1 C14 -45.5(3) . . . . ? C1 Sn1 Cr1 C16 131.1(4) . . . . ? C2 Sn1 Cr1 C16 8.0(4) . . . . ? C17 Sn1 Cr1 C16 -128.8(4) . . . . ? C1 Sn1 Cr1 C15 -60.2(2) . . . . ? C2 Sn1 Cr1 C15 176.8(2) . . . . ? C17 Sn1 Cr1 C15 39.9(3) . . . . ? C1 Sn1 Cr1 C3 96.8(2) . . . . ? C2 Sn1 Cr1 C3 -26.24(19) . . . . ? C17 Sn1 Cr1 C3 -163.1(3) . . . . ? C1 Sn1 Cr1 C9 61.1(2) . . . . ? C2 Sn1 Cr1 C9 -61.98(18) . . . . ? C17 Sn1 Cr1 C9 161.2(3) . . . . ? C2 Sn1 Cr1 C1 -123.1(2) . . . . ? C17 Sn1 Cr1 C1 100.1(3) . . . . ? C1 Sn1 Cr1 C8 26.0(2) . . . . ? C2 Sn1 Cr1 C8 -97.04(19) . . . . ? C17 Sn1 Cr1 C8 126.1(3) . . . . ? C1 Sn1 Cr1 C2 123.1(2) . . . . ? C17 Sn1 Cr1 C2 -136.8(3) . . . . ? C16 Cr1 C14 O1 -40(10) . . . . ? C15 Cr1 C14 O1 50(10) . . . . ? C3 Cr1 C14 O1 -126(9) . . . . ? C9 Cr1 C14 O1 -120(9) . . . . ? C1 Cr1 C14 O1 134(9) . . . . ? C8 Cr1 C14 O1 139(9) . . . . ? C2 Cr1 C14 O1 -148(10) . . . . ? Sn1 Cr1 C14 O1 164(10) . . . . ? C14 Cr1 C15 O2 8(9) . . . . ? C16 Cr1 C15 O2 97(9) . . . . ? C3 Cr1 C15 O2 179(100) . . . . ? C9 Cr1 C15 O2 -177(100) . . . . ? C1 Cr1 C15 O2 -117(9) . . . . ? C8 Cr1 C15 O2 -152(9) . . . . ? C2 Cr1 C15 O2 -71(10) . . . . ? Sn1 Cr1 C15 O2 -78(9) . . . . ? C14 Cr1 C16 O3 170(9) . . . . ? C15 Cr1 C16 O3 84(9) . . . . ? C3 Cr1 C16 O3 -74(9) . . . . ? C9 Cr1 C16 O3 -37(9) . . . . ? C1 Cr1 C16 O3 -2(9) . . . . ? C8 Cr1 C16 O3 -10(9) . . . . ? C2 Cr1 C16 O3 -101(9) . . . . ? Sn1 Cr1 C16 O3 -107(9) . . . . ? C1 Sn1 C17 C18 -78.4(4) . . . . ? C2 Sn1 C17 C18 87.1(4) . . . . ? Cr1 Sn1 C17 C18 -157.4(2) . . . . ? C1 Sn1 C17 C22 95.3(4) . . . . ? C2 Sn1 C17 C22 -99.3(4) . . . . ? Cr1 Sn1 C17 C22 16.2(5) . . . . ? C22 C17 C18 C19 -1.7(6) . . . . ? Sn1 C17 C18 C19 171.9(3) . . . . ? C22 C17 C18 C23 178.5(4) . . . . ? Sn1 C17 C18 C23 -7.8(5) . . . . ? C17 C18 C19 C20 -0.5(7) . . . . ? C23 C18 C19 C20 179.2(4) . . . . ? C18 C19 C20 C21 2.1(7) . . . . ? C18 C19 C20 C24 -176.0(4) . . . . ? C19 C20 C21 C22 -1.5(7) . . . . ? C24 C20 C21 C22 176.6(4) . . . . ? C20 C21 C22 C17 -0.6(7) . . . . ? C20 C21 C22 C25 -179.9(4) . . . . ? C18 C17 C22 C21 2.3(6) . . . . ? Sn1 C17 C22 C21 -170.9(3) . . . . ? C18 C17 C22 C25 -178.5(4) . . . . ? Sn1 C17 C22 C25 8.3(6) . . . . ? C17 C18 C23 Si7 -117.0(12) . . . . ? C19 C18 C23 Si7 63.3(12) . . . . ? C17 C18 C23 Si8 116.9(6) . . . . ? C19 C18 C23 Si8 -62.8(6) . . . . ? C17 C18 C23 Si2 -114.7(6) . . . . ? C19 C18 C23 Si2 65.5(7) . . . . ? C17 C18 C23 Si1 100.5(5) . . . . ? C19 C18 C23 Si1 -79.3(5) . . . . ? C21 C20 C24 Si4 111.4(7) . . . . ? C19 C20 C24 Si4 -70.5(7) . . . . ? C21 C20 C24 Si3 -111.5(8) . . . . ? C19 C20 C24 Si3 66.6(9) . . . . ? C21 C20 C24 Si9 -119.5(11) . . . . ? C19 C20 C24 Si9 58.5(12) . . . . ? C21 C20 C24 Si10 101.0(7) . . . . ? C19 C20 C24 Si10 -80.9(8) . . . . ? C21 C22 C25 Si5 72.8(4) . . . . ? C17 C22 C25 Si5 -106.4(4) . . . . ? C21 C22 C25 Si6 -62.3(5) . . . . ? C17 C22 C25 Si6 118.6(4) . . . . ? C18 C23 Si1 C26 -16.2(7) . . . . ? Si7 C23 Si1 C26 -151.6(14) . . . . ? Si8 C23 Si1 C26 -121(3) . . . . ? Si2 C23 Si1 C26 -158.2(8) . . . . ? C18 C23 Si1 C27 102.8(7) . . . . ? Si7 C23 Si1 C27 -32.6(16) . . . . ? Si8 C23 Si1 C27 -2(3) . . . . ? Si2 C23 Si1 C27 -39.1(10) . . . . ? C18 C23 Si1 C28 -136.5(5) . . . . ? Si7 C23 Si1 C28 88.1(15) . . . . ? Si8 C23 Si1 C28 118(3) . . . . ? Si2 C23 Si1 C28 81.5(8) . . . . ? C18 C23 Si2 C30 38.5(13) . . . . ? Si7 C23 Si2 C30 58(13) . . . . ? Si8 C23 Si2 C30 169.5(11) . . . . ? Si1 C23 Si2 C30 179.3(10) . . . . ? C18 C23 Si2 C31 160.1(10) . . . . ? Si7 C23 Si2 C31 180(14) . . . . ? Si8 C23 Si2 C31 -68.9(12) . . . . ? Si1 C23 Si2 C31 -59.2(12) . . . . ? C18 C23 Si2 C29 -82.4(11) . . . . ? Si7 C23 Si2 C29 -63(13) . . . . ? Si8 C23 Si2 C29 48.6(12) . . . . ? Si1 C23 Si2 C29 58.3(13) . . . . ? C20 C24 Si3 C32 49.9(16) . . . . ? Si4 C24 Si3 C32 -177.6(12) . . . . ? Si9 C24 Si3 C32 -172(10) . . . . ? Si10 C24 Si3 C32 -170.5(13) . . . . ? C20 C24 Si3 C33 -71.5(7) . . . . ? Si4 C24 Si3 C33 60.9(11) . . . . ? Si9 C24 Si3 C33 67(9) . . . . ? Si10 C24 Si3 C33 68.0(13) . . . . ? C20 C24 Si3 C34 159.5(15) . . . . ? Si4 C24 Si3 C34 -68.0(18) . . . . ? Si9 C24 Si3 C34 -62(9) . . . . ? Si10 C24 Si3 C34 -61(2) . . . . ? C20 C24 Si4 C36 81.1(15) . . . . ? Si3 C24 Si4 C36 -49.6(19) . . . . ? Si9 C24 Si4 C36 -51(2) . . . . ? Si10 C24 Si4 C36 165(7) . . . . ? C20 C24 Si4 C35 -43.5(14) . . . . ? Si3 C24 Si4 C35 -174.2(16) . . . . ? Si9 C24 Si4 C35 -175.3(17) . . . . ? Si10 C24 Si4 C35 40(6) . . . . ? C20 C24 Si4 C37 -166.0(9) . . . . ? Si3 C24 Si4 C37 63.3(12) . . . . ? Si9 C24 Si4 C37 62.1(14) . . . . ? Si10 C24 Si4 C37 -82(6) . . . . ? C22 C25 Si5 C38 49.9(4) . . . . ? Si6 C25 Si5 C38 -178.6(3) . . . . ? C22 C25 Si5 C39 167.9(3) . . . . ? Si6 C25 Si5 C39 -60.6(3) . . . . ? C22 C25 Si5 C40 -68.9(4) . . . . ? Si6 C25 Si5 C40 62.6(3) . . . . ? C22 C25 Si6 C42 -155.1(4) . . . . ? Si5 C25 Si6 C42 73.8(4) . . . . ? C22 C25 Si6 C41 84.3(4) . . . . ? Si5 C25 Si6 C41 -46.8(3) . . . . ? C22 C25 Si6 C43 -35.8(4) . . . . ? Si5 C25 Si6 C43 -166.9(3) . . . . ? C18 C23 Si7 C46 -87(3) . . . . ? Si8 C23 Si7 C46 41(3) . . . . ? Si2 C23 Si7 C46 112(15) . . . . ? Si1 C23 Si7 C46 49(3) . . . . ? C18 C23 Si7 C45 146.7(18) . . . . ? Si8 C23 Si7 C45 -85(2) . . . . ? Si2 C23 Si7 C45 -14(12) . . . . ? Si1 C23 Si7 C45 -77(2) . . . . ? C18 C23 Si7 C44 34(2) . . . . ? Si8 C23 Si7 C44 161.7(17) . . . . ? Si2 C23 Si7 C44 -127(14) . . . . ? Si1 C23 Si7 C44 170.0(14) . . . . ? C18 C23 Si8 C47 62.1(14) . . . . ? Si7 C23 Si8 C47 -62.8(18) . . . . ? Si2 C23 Si8 C47 -69.0(14) . . . . ? Si1 C23 Si8 C47 144(4) . . . . ? C18 C23 Si8 C49 -174.7(8) . . . . ? Si7 C23 Si8 C49 60.5(15) . . . . ? Si2 C23 Si8 C49 54.2(10) . . . . ? Si1 C23 Si8 C49 -93(3) . . . . ? C18 C23 Si8 C48 -56.8(12) . . . . ? Si7 C23 Si8 C48 178.3(15) . . . . ? Si2 C23 Si8 C48 172.1(11) . . . . ? Si1 C23 Si8 C48 25(2) . . . . ? C20 C24 Si9 C52 160.6(16) . . . . ? Si4 C24 Si9 C52 -69(2) . . . . ? Si3 C24 Si9 C52 116(10) . . . . ? Si10 C24 Si9 C52 -63(2) . . . . ? C20 C24 Si9 C51 -84.6(15) . . . . ? Si4 C24 Si9 C51 45.3(18) . . . . ? Si3 C24 Si9 C51 -129(10) . . . . ? Si10 C24 Si9 C51 52(2) . . . . ? C20 C24 Si9 C50 38(2) . . . . ? Si4 C24 Si9 C50 168.4(17) . . . . ? Si3 C24 Si9 C50 -6(8) . . . . ? Si10 C24 Si9 C50 174.8(17) . . . . ? C20 C24 Si10 C55 -157.2(11) . . . . ? Si4 C24 Si10 C55 103(7) . . . . ? Si3 C24 Si10 C55 64.1(17) . . . . ? Si9 C24 Si10 C55 64.4(18) . . . . ? C20 C24 Si10 C53 -48.1(16) . . . . ? Si4 C24 Si10 C53 -148(7) . . . . ? Si3 C24 Si10 C53 173.2(15) . . . . ? Si9 C24 Si10 C53 173.5(17) . . . . ? C20 C24 Si10 C54 64.9(13) . . . . ? Si4 C24 Si10 C54 -35(6) . . . . ? Si3 C24 Si10 C54 -73.8(17) . . . . ? Si9 C24 Si10 C54 -73.5(18) . . . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 0.388 _refine_diff_density_min -0.388 _refine_diff_density_rms 0.080