# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full J.Mater.Chem. _journal_coden_cambridge 1145 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_name 'Alejandro Briseno' _publ_contact_author_email abriseno@mail.pse.umass.edu loop_ _publ_author_name 'Lei Zhang' B.Walker 'Feng Liu' N.Colella S.Mannsfeld J.Watkins T.-O.Nguyen A.Briseno data_x11059t _database_code_depnum_ccdc_archive 'CCDC 839641' #TrackingRef '- x11059t.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C44 H52 Si2' _chemical_formula_sum 'C44 H52 Si2' _chemical_formula_weight 637.04 _chemical_absolute_configuration . loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.2541 0.3302 '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' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.8921(10) _cell_length_b 15.1742(12) _cell_length_c 35.456(3) _cell_angle_alpha 88.906(6) _cell_angle_beta 79.711(5) _cell_angle_gamma 84.143(5) _cell_volume 7315.6(10) _cell_formula_units_Z 8 _cell_measurement_temperature 90.0(2) _cell_measurement_reflns_used 4684 _cell_measurement_theta_min 2.53 _cell_measurement_theta_max 68.40 _exptl_crystal_description flake _exptl_crystal_colour red _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.01 _exptl_crystal_size_min 0.01 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.157 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2752 _exptl_absorpt_coefficient_mu 1.086 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.773 _exptl_absorpt_correction_T_max 0.995 _exptl_absorpt_process_details 'Sadabs in APEX2 (BrukerAXS, 2006)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 90.0(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus rotating anode' _diffrn_radiation_monochromator 'graded multilayer optics' _diffrn_measurement_device_type 'Bruker X8 Proteum diffractometer' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean 5.6 _diffrn_standards_number 0 _diffrn_standards_interval_count . _diffrn_standards_interval_time . _diffrn_standards_decay_% ? _diffrn_reflns_number 25869 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.1585 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 42 _diffrn_reflns_theta_min 1.27 _diffrn_reflns_theta_max 69.06 _reflns_number_total 25869 _reflns_number_gt 14127 _reflns_threshold_expression >2\s(I) _computing_data_collection 'APEX2 (Bruker-AXS, 2006)' _computing_cell_refinement APEX2 _computing_data_reduction APEX2 _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'XP in SHELXTL (Sheldrick, 2008)' _computing_publication_material ; SHELX-97 (Sheldrick, 2008) and local procedures ; _publ_section_exptl_refinement ; H atoms were found in difference Fourier maps and subsequently placed in idealized positions with constrained distances of 0.98 \%A (RCH~3~), 1.00 \%A (R~3~CH), 0.95 \%A (C~sp2~H), and with U~iso~(H) values set to either 1.2U~eq~ or 1.5U~eq~ (RCH~3~) of the attached atom. ; _refine_special_details ; Refinement of F^2^ against all reflections. The weighted R-value wR and goodness of fit S are based on F^2^. Conventional R-values R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-values based on F^2^ are statistically about twice as large as those based on F, and R-values 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^)+(0.0892P)^2^+18.8021P] 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 0.00017(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 25869 _refine_ls_number_parameters 1707 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1790 _refine_ls_R_factor_gt 0.1081 _refine_ls_wR_factor_ref 0.2877 _refine_ls_wR_factor_gt 0.2499 _refine_ls_goodness_of_fit_ref 1.040 _refine_ls_restrained_S_all 1.040 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Si1A Si 0.79642(14) 0.38298(13) -0.10892(5) 0.0302(4) Uani 1 1 d . . . Si2A Si 0.70662(14) -0.39199(13) 0.10368(5) 0.0312(4) Uani 1 1 d . . . C1A C 0.7709(4) 0.1546(4) -0.02804(18) 0.0252(14) Uani 1 1 d . . . C2A C 0.7707(4) 0.0712(4) -0.04433(18) 0.0271(14) Uani 1 1 d . . . C3A C 0.7819(5) 0.0603(4) -0.08487(19) 0.0291(15) Uani 1 1 d . . . H3AA H 0.7896 0.1105 -0.1012 0.035 Uiso 1 1 calc R . . C4A C 0.7816(5) -0.0204(5) -0.10033(19) 0.0294(14) Uani 1 1 d . . . H4AA H 0.7908 -0.0258 -0.1274 0.035 Uiso 1 1 calc R . . C5A C 0.7681(5) -0.0977(5) -0.07734(19) 0.0288(14) Uani 1 1 d . . . C6A C 0.7657(5) -0.1811(5) -0.0924(2) 0.0322(15) Uani 1 1 d . . . H6AA H 0.7741 -0.1882 -0.1194 0.039 Uiso 1 1 calc R . . C7A C 0.7512(5) -0.2543(5) -0.0687(2) 0.0339(16) Uani 1 1 d . . . H7AA H 0.7493 -0.3107 -0.0796 0.041 Uiso 1 1 calc R . . C8A C 0.7396(5) -0.2460(4) -0.02989(18) 0.0275(14) Uani 1 1 d . . . H8AA H 0.7304 -0.2969 -0.0142 0.033 Uiso 1 1 calc R . . C9A C 0.7409(4) -0.1631(4) -0.01252(18) 0.0258(14) Uani 1 1 d . . . C10A C 0.7312(4) -0.1538(4) 0.02797(19) 0.0265(14) Uani 1 1 d . . . C11A C 0.7311(5) -0.0710(4) 0.04431(18) 0.0268(14) Uani 1 1 d . . . C12A C 0.7197(5) -0.0595(5) 0.08507(19) 0.0307(15) Uani 1 1 d . . . H12A H 0.7116 -0.1094 0.1015 0.037 Uiso 1 1 calc R . . C13A C 0.7203(5) 0.0215(4) 0.10044(19) 0.0290(14) Uani 1 1 d . . . H13A H 0.7116 0.0273 0.1275 0.035 Uiso 1 1 calc R . . C14A C 0.7338(5) 0.0991(4) 0.07676(19) 0.0270(14) Uani 1 1 d . . . C15A C 0.7356(5) 0.1820(5) 0.0923(2) 0.0327(15) Uani 1 1 d . . . H15A H 0.7257 0.1891 0.1194 0.039 Uiso 1 1 calc R . . C16A C 0.7516(5) 0.2544(5) 0.06861(19) 0.0331(16) Uani 1 1 d . . . H16A H 0.7559 0.3103 0.0795 0.040 Uiso 1 1 calc R . . C17A C 0.7616(5) 0.2469(4) 0.02966(19) 0.0289(15) Uani 1 1 d . . . H17A H 0.7695 0.2982 0.0140 0.035 Uiso 1 1 calc R . . C18A C 0.7602(5) 0.1647(4) 0.01246(18) 0.0279(14) Uani 1 1 d . . . C19A C 0.7451(4) 0.0895(4) 0.03644(18) 0.0250(14) Uani 1 1 d . . . C20A C 0.7448(4) 0.0049(4) 0.02021(18) 0.0250(13) Uani 1 1 d . . . C21A C 0.7560(4) -0.0040(4) -0.01998(18) 0.0274(14) Uani 1 1 d . . . C22A C 0.7560(4) -0.0876(4) -0.03647(18) 0.0257(14) Uani 1 1 d . . . C23A C 0.7806(5) 0.2308(5) -0.05219(18) 0.0287(15) Uani 1 1 d . . . C24A C 0.7879(5) 0.2943(5) -0.0738(2) 0.0334(16) Uani 1 1 d . . . C25A C 0.7725(5) 0.4912(5) -0.0830(2) 0.0387(17) Uani 1 1 d . . . H25A H 0.7773 0.5394 -0.1027 0.046 Uiso 1 1 calc R . . C26A C 0.6685(5) 0.5030(5) -0.0590(2) 0.0438(19) Uani 1 1 d . . . H26A H 0.6576 0.5610 -0.0464 0.066 Uiso 1 1 calc R . . H26B H 0.6615 0.4562 -0.0396 0.066 Uiso 1 1 calc R . . H26C H 0.6200 0.4993 -0.0758 0.066 Uiso 1 1 calc R . . C27A C 0.8516(6) 0.5013(5) -0.0577(2) 0.0454(19) Uani 1 1 d . . . H27A H 0.8373 0.5584 -0.0444 0.068 Uiso 1 1 calc R . . H27B H 0.9167 0.4985 -0.0740 0.068 Uiso 1 1 calc R . . H27C H 0.8505 0.4532 -0.0388 0.068 Uiso 1 1 calc R . . C28A C 0.9264(5) 0.3698(5) -0.1365(2) 0.0353(16) Uani 1 1 d . . . H28A H 0.9695 0.3752 -0.1171 0.042 Uiso 1 1 calc R . . C29A C 0.9491(6) 0.4450(5) -0.1656(2) 0.0431(18) Uani 1 1 d . . . H29A H 1.0204 0.4428 -0.1743 0.065 Uiso 1 1 calc R . . H29B H 0.9247 0.5022 -0.1533 0.065 Uiso 1 1 calc R . . H29C H 0.9168 0.4377 -0.1876 0.065 Uiso 1 1 calc R . . C30A C 0.9573(6) 0.2793(5) -0.1542(2) 0.0411(18) Uani 1 1 d . . . H30A H 1.0285 0.2729 -0.1635 0.062 Uiso 1 1 calc R . . H30B H 0.9230 0.2726 -0.1757 0.062 Uiso 1 1 calc R . . H30C H 0.9404 0.2336 -0.1349 0.062 Uiso 1 1 calc R . . C31A C 0.6963(5) 0.3698(5) -0.1381(2) 0.0360(16) Uani 1 1 d . . . H31A H 0.6329 0.3765 -0.1194 0.043 Uiso 1 1 calc R . . C32A C 0.6871(6) 0.4414(6) -0.1677(2) 0.0454(19) Uani 1 1 d . . . H32A H 0.6275 0.4367 -0.1783 0.068 Uiso 1 1 calc R . . H32B H 0.7447 0.4344 -0.1882 0.068 Uiso 1 1 calc R . . H32C H 0.6832 0.4996 -0.1556 0.068 Uiso 1 1 calc R . . C33A C 0.7027(6) 0.2776(5) -0.1553(2) 0.0412(18) Uani 1 1 d . . . H33A H 0.6456 0.2730 -0.1676 0.062 Uiso 1 1 calc R . . H33B H 0.7037 0.2330 -0.1350 0.062 Uiso 1 1 calc R . . H33C H 0.7630 0.2677 -0.1744 0.062 Uiso 1 1 calc R . . C34A C 0.7222(5) -0.2301(4) 0.05211(18) 0.0273(14) Uani 1 1 d . . . C35A C 0.7159(5) -0.2945(5) 0.07215(19) 0.0313(15) Uani 1 1 d . . . C36A C 0.6018(5) -0.4492(5) 0.0926(2) 0.0372(16) Uani 1 1 d . . . H36A H 0.5432 -0.4042 0.0970 0.045 Uiso 1 1 calc R . . C37A C 0.5749(6) -0.5265(5) 0.1193(2) 0.047(2) Uani 1 1 d . . . H37A H 0.5176 -0.5510 0.1126 0.071 Uiso 1 1 calc R . . H37B H 0.5592 -0.5055 0.1458 0.071 Uiso 1 1 calc R . . H37C H 0.6305 -0.5725 0.1165 0.071 Uiso 1 1 calc R . . C38A C 0.6149(5) -0.4775(5) 0.0502(2) 0.0391(17) Uani 1 1 d . . . H38A H 0.5515 -0.4912 0.0445 0.059 Uiso 1 1 calc R . . H38B H 0.6624 -0.5302 0.0456 0.059 Uiso 1 1 calc R . . H38C H 0.6389 -0.4292 0.0336 0.059 Uiso 1 1 calc R . . C39A C 0.8308(5) -0.4566(5) 0.0940(2) 0.0379(17) Uani 1 1 d . . . H39A H 0.8786 -0.4139 0.0976 0.046 Uiso 1 1 calc R . . C40A C 0.8451(6) -0.5326(5) 0.1225(2) 0.0467(19) Uani 1 1 d . . . H40A H 0.9128 -0.5605 0.1166 0.070 Uiso 1 1 calc R . . H40B H 0.7994 -0.5766 0.1204 0.070 Uiso 1 1 calc R . . H40C H 0.8322 -0.5089 0.1487 0.070 Uiso 1 1 calc R . . C41A C 0.8618(5) -0.4894(5) 0.0524(2) 0.0405(18) Uani 1 1 d . . . H41A H 0.9332 -0.5042 0.0468 0.061 Uiso 1 1 calc R . . H41B H 0.8428 -0.4427 0.0349 0.061 Uiso 1 1 calc R . . H41C H 0.8290 -0.5422 0.0490 0.061 Uiso 1 1 calc R . . C42A C 0.6768(6) -0.3484(5) 0.1542(2) 0.0413(18) Uani 1 1 d . . . H42A H 0.6720 -0.4006 0.1719 0.050 Uiso 1 1 calc R . . C43A C 0.7605(6) -0.2975(6) 0.1631(2) 0.048(2) Uani 1 1 d . . . H43A H 0.7444 -0.2762 0.1896 0.072 Uiso 1 1 calc R . . H43B H 0.7687 -0.2470 0.1456 0.072 Uiso 1 1 calc R . . H43C H 0.8218 -0.3370 0.1597 0.072 Uiso 1 1 calc R . . C44A C 0.5786(6) -0.2917(6) 0.1622(2) 0.050(2) Uani 1 1 d . . . H44A H 0.5684 -0.2671 0.1881 0.074 Uiso 1 1 calc R . . H44B H 0.5255 -0.3283 0.1601 0.074 Uiso 1 1 calc R . . H44C H 0.5785 -0.2433 0.1435 0.074 Uiso 1 1 calc R . . Si1B Si 0.18927(14) 0.89275(12) 0.60331(5) 0.0299(4) Uani 1 1 d . . . Si2B Si 0.30786(13) 0.11861(12) 0.39051(5) 0.0285(4) Uani 1 1 d . . . C1B C 0.2425(4) 0.6549(4) 0.52780(18) 0.0237(13) Uani 1 1 d . . . C2B C 0.2279(4) 0.5724(4) 0.54376(18) 0.0235(13) Uani 1 1 d . . . C3B C 0.2031(5) 0.5597(5) 0.58450(19) 0.0326(16) Uani 1 1 d . . . H3BA H 0.1965 0.6094 0.6010 0.039 Uiso 1 1 calc R . . C4B C 0.1889(5) 0.4788(4) 0.59994(19) 0.0280(14) Uani 1 1 d . . . H4BA H 0.1722 0.4729 0.6270 0.034 Uiso 1 1 calc R . . C5B C 0.1983(5) 0.4020(4) 0.57643(18) 0.0283(14) Uani 1 1 d . . . C6B C 0.1816(5) 0.3184(4) 0.59208(19) 0.0294(14) Uani 1 1 d . . . H6BA H 0.1641 0.3116 0.6191 0.035 Uiso 1 1 calc R . . C7B C 0.1906(5) 0.2447(5) 0.5680(2) 0.0327(16) Uani 1 1 d . . . H7BA H 0.1802 0.1881 0.5789 0.039 Uiso 1 1 calc R . . C8B C 0.2139(5) 0.2526(4) 0.52933(19) 0.0294(15) Uani 1 1 d . . . H8BA H 0.2173 0.2018 0.5137 0.035 Uiso 1 1 calc R . . C9B C 0.2332(4) 0.3352(4) 0.51195(18) 0.0230(13) Uani 1 1 d . . . C10B C 0.2594(4) 0.3456(4) 0.47191(18) 0.0244(13) Uani 1 1 d . . . C11B C 0.2734(4) 0.4292(4) 0.45515(17) 0.0229(13) Uani 1 1 d . . . C12B C 0.2980(4) 0.4403(4) 0.41461(18) 0.0277(14) Uani 1 1 d . . . H12B H 0.3044 0.3904 0.3982 0.033 Uiso 1 1 calc R . . C13B C 0.3124(5) 0.5218(4) 0.39925(19) 0.0266(14) Uani 1 1 d . . . H13B H 0.3294 0.5277 0.3722 0.032 Uiso 1 1 calc R . . C14B C 0.3024(5) 0.5983(4) 0.42270(18) 0.0257(14) Uani 1 1 d . . . C15B C 0.3200(5) 0.6815(4) 0.4072(2) 0.0288(14) Uani 1 1 d . . . H15B H 0.3383 0.6881 0.3802 0.035 Uiso 1 1 calc R . . C16B C 0.3107(5) 0.7557(4) 0.43107(19) 0.0299(15) Uani 1 1 d . . . H16B H 0.3218 0.8121 0.4200 0.036 Uiso 1 1 calc R . . C17B C 0.2863(5) 0.7482(4) 0.46970(19) 0.0281(14) Uani 1 1 d . . . H17B H 0.2810 0.7993 0.4853 0.034 Uiso 1 1 calc R . . C18B C 0.2688(5) 0.6659(4) 0.48708(19) 0.0274(14) Uani 1 1 d . . . C19B C 0.2788(4) 0.5893(4) 0.46306(18) 0.0240(13) Uani 1 1 d . . . C20B C 0.2628(4) 0.5049(4) 0.47982(18) 0.0228(13) Uani 1 1 d . . . C21B C 0.2386(4) 0.4952(4) 0.51957(17) 0.0218(13) Uani 1 1 d . . . C22B C 0.2225(4) 0.4113(4) 0.53627(18) 0.0252(14) Uani 1 1 d . . . C23B C 0.2297(4) 0.7310(4) 0.55194(18) 0.0242(13) Uani 1 1 d . . . C24B C 0.2166(5) 0.7964(4) 0.57214(19) 0.0293(14) Uani 1 1 d . . . C25B C 0.3039(5) 0.9523(5) 0.5958(2) 0.0361(16) Uani 1 1 d . . . H25B H 0.3577 0.9080 0.6015 0.043 Uiso 1 1 calc R . . C26B C 0.3358(5) 0.9811(5) 0.5540(2) 0.0424(19) Uani 1 1 d . . . H26D H 0.4021 1.0001 0.5506 0.064 Uiso 1 1 calc R . . H26E H 0.2899 1.0304 0.5478 0.064 Uiso 1 1 calc R . . H26F H 0.3358 0.9312 0.5369 0.064 Uiso 1 1 calc R . . C27B C 0.2991(6) 1.0294(5) 0.6235(2) 0.0438(19) Uani 1 1 d . . . H27D H 0.3631 1.0533 0.6198 0.066 Uiso 1 1 calc R . . H27E H 0.2827 1.0083 0.6499 0.066 Uiso 1 1 calc R . . H27F H 0.2487 1.0760 0.6186 0.066 Uiso 1 1 calc R . . C28B C 0.0762(5) 0.9548(4) 0.58937(19) 0.0306(15) Uani 1 1 d . . . H28B H 0.0256 0.9115 0.5923 0.037 Uiso 1 1 calc R . . C29B C 0.0907(5) 0.9835(5) 0.5473(2) 0.0386(17) Uani 1 1 d . . . H29D H 0.0264 0.9996 0.5399 0.058 Uiso 1 1 calc R . . H29E H 0.1259 0.9345 0.5311 0.058 Uiso 1 1 calc R . . H29F H 0.1290 1.0347 0.5438 0.058 Uiso 1 1 calc R . . C30B C 0.0309(6) 1.0327(5) 0.6160(2) 0.0418(18) Uani 1 1 d . . . H30D H -0.0291 1.0598 0.6078 0.063 Uiso 1 1 calc R . . H30E H 0.0782 1.0769 0.6148 0.063 Uiso 1 1 calc R . . H30F H 0.0149 1.0111 0.6424 0.063 Uiso 1 1 calc R . . C31B C 0.1628(6) 0.8512(5) 0.6540(2) 0.0372(17) Uani 1 1 d . . . H31B H 0.1450 0.9042 0.6711 0.045 Uiso 1 1 calc R . . C32B C 0.0733(6) 0.7961(5) 0.6601(2) 0.0465(19) Uani 1 1 d . . . H32D H 0.0570 0.7800 0.6872 0.070 Uiso 1 1 calc R . . H32E H 0.0895 0.7422 0.6445 0.070 Uiso 1 1 calc R . . H32F H 0.0168 0.8313 0.6524 0.070 Uiso 1 1 calc R . . C33B C 0.2529(6) 0.7996(5) 0.6654(2) 0.049(2) Uani 1 1 d . . . H33D H 0.2351 0.7751 0.6912 0.073 Uiso 1 1 calc R . . H33E H 0.3044 0.8393 0.6653 0.073 Uiso 1 1 calc R . . H33F H 0.2771 0.7513 0.6472 0.073 Uiso 1 1 calc R . . C34B C 0.2725(4) 0.2706(4) 0.44736(18) 0.0240(13) Uani 1 1 d . . . C35B C 0.2863(5) 0.2064(4) 0.42646(19) 0.0290(14) Uani 1 1 d . . . C36B C 0.2997(5) 0.0103(4) 0.4167(2) 0.0327(15) Uani 1 1 d . . . H36B H 0.3114 -0.0380 0.3972 0.039 Uiso 1 1 calc R . . C37B C 0.1962(6) 0.0053(5) 0.4407(2) 0.0434(18) Uani 1 1 d . . . H37D H 0.1942 -0.0511 0.4547 0.065 Uiso 1 1 calc R . . H37E H 0.1475 0.0094 0.4237 0.065 Uiso 1 1 calc R . . H37F H 0.1810 0.0545 0.4591 0.065 Uiso 1 1 calc R . . C38B C 0.3792(6) -0.0054(5) 0.4416(2) 0.0443(19) Uani 1 1 d . . . H38D H 0.3712 -0.0609 0.4559 0.066 Uiso 1 1 calc R . . H38E H 0.3730 0.0438 0.4596 0.066 Uiso 1 1 calc R . . H38F H 0.4442 -0.0093 0.4252 0.066 Uiso 1 1 calc R . . C39B C 0.2066(5) 0.1393(5) 0.3613(2) 0.0331(15) Uani 1 1 d . . . H39B H 0.1435 0.1372 0.3799 0.040 Uiso 1 1 calc R . . C40B C 0.2012(5) 0.2310(5) 0.3432(2) 0.0372(16) Uani 1 1 d . . . H40D H 0.1421 0.2405 0.3316 0.056 Uiso 1 1 calc R . . H40E H 0.2596 0.2355 0.3234 0.056 Uiso 1 1 calc R . . H40F H 0.1985 0.2760 0.3629 0.056 Uiso 1 1 calc R . . C41B C 0.2079(6) 0.0667(5) 0.3318(2) 0.0428(18) Uani 1 1 d . . . H41D H 0.1489 0.0767 0.3202 0.064 Uiso 1 1 calc R . . H41E H 0.2093 0.0087 0.3445 0.064 Uiso 1 1 calc R . . H41F H 0.2665 0.0681 0.3119 0.064 Uiso 1 1 calc R . . C42B C 0.4383(5) 0.1241(5) 0.3632(2) 0.0337(16) Uani 1 1 d . . . H42B H 0.4819 0.1145 0.3828 0.040 Uiso 1 1 calc R . . C43B C 0.4727(6) 0.0506(5) 0.3340(2) 0.0460(19) Uani 1 1 d . . . H43D H 0.5421 0.0540 0.3230 0.069 Uiso 1 1 calc R . . H43E H 0.4333 0.0572 0.3136 0.069 Uiso 1 1 calc R . . H43F H 0.4648 -0.0069 0.3466 0.069 Uiso 1 1 calc R . . C44B C 0.4555(5) 0.2153(5) 0.3462(2) 0.0425(18) Uani 1 1 d . . . H44D H 0.5254 0.2169 0.3356 0.064 Uiso 1 1 calc R . . H44E H 0.4350 0.2603 0.3662 0.064 Uiso 1 1 calc R . . H44F H 0.4169 0.2274 0.3257 0.064 Uiso 1 1 calc R . . Si1C Si 0.10444(14) 0.64255(13) 0.31047(5) 0.0309(4) Uani 1 1 d . . . C1C C 0.0443(4) 0.5697(4) 0.43436(18) 0.0247(13) Uani 1 1 d . . . C2C C 0.0320(4) 0.4859(4) 0.44646(18) 0.0248(13) Uani 1 1 d . . . C3C C 0.0450(4) 0.4124(4) 0.41982(19) 0.0267(14) Uani 1 1 d . . . H3CA H 0.0623 0.4236 0.3931 0.032 Uiso 1 1 calc R . . C4C C 0.0333(5) 0.3286(5) 0.43177(19) 0.0292(15) Uani 1 1 d . . . H4CA H 0.0420 0.2827 0.4133 0.035 Uiso 1 1 calc R . . C5C C 0.0082(4) 0.3071(4) 0.47149(18) 0.0249(13) Uani 1 1 d . . . C6C C -0.0065(5) 0.2216(5) 0.4842(2) 0.0317(15) Uani 1 1 d . . . H6CA H 0.0022 0.1749 0.4661 0.038 Uiso 1 1 calc R . . C7C C -0.0332(5) 0.2032(5) 0.5223(2) 0.0335(16) Uani 1 1 d . . . H7CA H -0.0427 0.1441 0.5302 0.040 Uiso 1 1 calc R . . C8C C -0.0467(5) 0.2700(4) 0.5498(2) 0.0296(14) Uani 1 1 d . . . H8CA H -0.0659 0.2564 0.5762 0.036 Uiso 1 1 calc R . . C9C C -0.0316(4) 0.3581(4) 0.53825(18) 0.0261(14) Uani 1 1 d . . . C10C C -0.0073(4) 0.3787(4) 0.49882(18) 0.0234(13) Uani 1 1 d . . . C11C C 0.0065(5) 0.4662(4) 0.48651(18) 0.0244(13) Uani 1 1 d . . . C12C C 0.0664(5) 0.5919(4) 0.39460(19) 0.0266(14) Uani 1 1 d . . . C13C C 0.0839(5) 0.6109(4) 0.3610(2) 0.0298(15) Uani 1 1 d . . . C14C C -0.0148(5) 0.7020(5) 0.30065(19) 0.0341(16) Uani 1 1 d . . . H14A H -0.0669 0.6626 0.3110 0.041 Uiso 1 1 calc R . . C15C C -0.0445(6) 0.7892(5) 0.3218(2) 0.0392(17) Uani 1 1 d . . . H15C H -0.1120 0.8107 0.3192 0.059 Uiso 1 1 calc R . . H15D H 0.0000 0.8328 0.3108 0.059 Uiso 1 1 calc R . . H15E H -0.0408 0.7804 0.3489 0.059 Uiso 1 1 calc R . . C16C C -0.0181(6) 0.7127(6) 0.2579(2) 0.048(2) Uani 1 1 d . . . H16C H -0.0840 0.7377 0.2546 0.072 Uiso 1 1 calc R . . H16D H -0.0029 0.6546 0.2453 0.072 Uiso 1 1 calc R . . H16E H 0.0304 0.7524 0.2463 0.072 Uiso 1 1 calc R . . C17C C 0.2132(6) 0.7102(5) 0.3029(2) 0.0374(17) Uani 1 1 d . . . H17C H 0.2684 0.6703 0.3105 0.045 Uiso 1 1 calc R . . C18C C 0.2029(6) 0.7914(5) 0.3281(2) 0.0433(18) Uani 1 1 d . . . H18A H 0.2668 0.8150 0.3258 0.065 Uiso 1 1 calc R . . H18B H 0.1802 0.7751 0.3549 0.065 Uiso 1 1 calc R . . H18C H 0.1552 0.8365 0.3200 0.065 Uiso 1 1 calc R . . C19C C 0.2481(7) 0.7328(6) 0.2610(2) 0.054(2) Uani 1 1 d . . . H19A H 0.3118 0.7568 0.2582 0.080 Uiso 1 1 calc R . . H19B H 0.2000 0.7770 0.2524 0.080 Uiso 1 1 calc R . . H19C H 0.2547 0.6791 0.2454 0.080 Uiso 1 1 calc R . . C20C C 0.1337(5) 0.5379(5) 0.2820(2) 0.0365(16) Uani 1 1 d . . . H20A H 0.1443 0.5546 0.2542 0.044 Uiso 1 1 calc R . . C21C C 0.2302(6) 0.4834(6) 0.2899(3) 0.055(2) Uani 1 1 d . . . H21A H 0.2412 0.4281 0.2752 0.083 Uiso 1 1 calc R . . H21B H 0.2236 0.4697 0.3173 0.083 Uiso 1 1 calc R . . H21C H 0.2860 0.5182 0.2821 0.083 Uiso 1 1 calc R . . C22C C 0.0488(6) 0.4784(5) 0.2892(2) 0.048(2) Uani 1 1 d . . . H22A H 0.0667 0.4251 0.2733 0.072 Uiso 1 1 calc R . . H22B H -0.0106 0.5108 0.2827 0.072 Uiso 1 1 calc R . . H22C H 0.0364 0.4613 0.3163 0.072 Uiso 1 1 calc R . . Si1D Si 0.61358(14) 0.58210(13) 0.30424(5) 0.0321(4) Uani 1 1 d . . . C1D C 0.5459(4) 0.5560(4) 0.43164(17) 0.0224(13) Uani 1 1 d . . . C2D C 0.5304(4) 0.4732(4) 0.44730(18) 0.0264(14) Uani 1 1 d . . . C3D C 0.5418(5) 0.3956(4) 0.42352(19) 0.0291(14) Uani 1 1 d . . . H3DA H 0.5601 0.4010 0.3965 0.035 Uiso 1 1 calc R . . C4D C 0.5267(5) 0.3147(5) 0.43927(19) 0.0317(15) Uani 1 1 d . . . H4DA H 0.5336 0.2648 0.4228 0.038 Uiso 1 1 calc R . . C5D C 0.5010(5) 0.3022(5) 0.47927(19) 0.0282(14) Uani 1 1 d . . . C6D C 0.4831(5) 0.2209(5) 0.4957(2) 0.0342(16) Uani 1 1 d . . . H6DA H 0.4892 0.1704 0.4796 0.041 Uiso 1 1 calc R . . C7D C 0.4564(5) 0.2112(5) 0.5350(2) 0.0310(15) Uani 1 1 d . . . H7DA H 0.4444 0.1545 0.5455 0.037 Uiso 1 1 calc R . . C8D C 0.4473(5) 0.2827(5) 0.5589(2) 0.0313(15) Uani 1 1 d . . . H8DA H 0.4293 0.2748 0.5858 0.038 Uiso 1 1 calc R . . C9D C 0.4641(4) 0.3680(4) 0.54412(19) 0.0270(14) Uani 1 1 d . . . C10D C 0.4897(5) 0.3779(4) 0.50387(18) 0.0264(14) Uani 1 1 d . . . C11D C 0.5062(4) 0.4631(4) 0.48781(18) 0.0249(13) Uani 1 1 d . . . C12D C 0.5688(4) 0.5672(4) 0.39136(19) 0.0264(14) Uani 1 1 d . . . C13D C 0.5875(5) 0.5767(5) 0.3567(2) 0.0326(16) Uani 1 1 d . . . C14D C 0.6073(6) 0.7020(5) 0.2897(2) 0.0392(17) Uani 1 1 d . . . H14B H 0.6207 0.7047 0.2610 0.047 Uiso 1 1 calc R . . C15D C 0.5057(6) 0.7508(6) 0.3037(3) 0.056(2) Uani 1 1 d . . . H15F H 0.5039 0.8116 0.2939 0.085 Uiso 1 1 calc R . . H15G H 0.4925 0.7521 0.3318 0.085 Uiso 1 1 calc R . . H15H H 0.4556 0.7201 0.2946 0.085 Uiso 1 1 calc R . . C16D C 0.6849(6) 0.7505(6) 0.3044(3) 0.054(2) Uani 1 1 d . . . H16F H 0.6782 0.8130 0.2969 0.081 Uiso 1 1 calc R . . H16G H 0.7507 0.7234 0.2934 0.081 Uiso 1 1 calc R . . H16H H 0.6754 0.7460 0.3324 0.081 Uiso 1 1 calc R . . C17D C 0.7430(5) 0.5270(5) 0.28814(19) 0.0335(15) Uani 1 1 d . . . H17D H 0.7858 0.5607 0.3012 0.040 Uiso 1 1 calc R . . C18D C 0.7818(6) 0.5366(7) 0.2453(2) 0.052(2) Uani 1 1 d . . . H18D H 0.8522 0.5166 0.2399 0.078 Uiso 1 1 calc R . . H18E H 0.7714 0.5989 0.2378 0.078 Uiso 1 1 calc R . . H18F H 0.7466 0.5005 0.2308 0.078 Uiso 1 1 calc R . . C19D C 0.7584(6) 0.4317(5) 0.3020(2) 0.0450(19) Uani 1 1 d . . . H19D H 0.8287 0.4109 0.2965 0.068 Uiso 1 1 calc R . . H19E H 0.7220 0.3938 0.2889 0.068 Uiso 1 1 calc R . . H19F H 0.7347 0.4291 0.3297 0.068 Uiso 1 1 calc R . . C20D C 0.5123(6) 0.5268(5) 0.2873(2) 0.0379(17) Uani 1 1 d . . . H20B H 0.4497 0.5639 0.2976 0.046 Uiso 1 1 calc R . . C21D C 0.5201(7) 0.5268(7) 0.2439(2) 0.064(3) Uani 1 1 d . . . H21D H 0.4611 0.5051 0.2373 0.095 Uiso 1 1 calc R . . H21E H 0.5783 0.4882 0.2324 0.095 Uiso 1 1 calc R . . H21F H 0.5258 0.5873 0.2341 0.095 Uiso 1 1 calc R . . C22D C 0.5000(6) 0.4349(5) 0.3039(2) 0.047(2) Uani 1 1 d . . . H22D H 0.4442 0.4117 0.2953 0.071 Uiso 1 1 calc R . . H22E H 0.4879 0.4379 0.3319 0.071 Uiso 1 1 calc R . . H22F H 0.5600 0.3956 0.2950 0.071 Uiso 1 1 calc R . . Si1E Si 0.43285(15) 0.14253(13) 0.18922(5) 0.0347(4) Uani 1 1 d . . . C1E C 0.4861(4) 0.0721(5) 0.06512(18) 0.0276(14) Uani 1 1 d . . . C2E C 0.5002(4) 0.1428(4) 0.03767(18) 0.0269(14) Uani 1 1 d . . . C3E C 0.5047(5) 0.2309(5) 0.0482(2) 0.0335(16) Uani 1 1 d . . . H3EA H 0.4982 0.2456 0.0746 0.040 Uiso 1 1 calc R . . C4E C 0.5185(5) 0.2957(5) 0.0211(2) 0.0365(17) Uani 1 1 d . . . H4EA H 0.5231 0.3545 0.0288 0.044 Uiso 1 1 calc R . . C5E C 0.5257(5) 0.2769(5) -0.0173(2) 0.0340(16) Uani 1 1 d . . . H5EA H 0.5332 0.3235 -0.0356 0.041 Uiso 1 1 calc R . . C6E C 0.5224(5) 0.1916(4) -0.02973(19) 0.0287(14) Uani 1 1 d . . . C7E C 0.5295(5) 0.1692(5) -0.0694(2) 0.0322(15) Uani 1 1 d . . . H7EA H 0.5359 0.2148 -0.0882 0.039 Uiso 1 1 calc R . . C8E C 0.5275(5) 0.0862(4) -0.08057(19) 0.0289(14) Uani 1 1 d . . . H8EA H 0.5342 0.0740 -0.1071 0.035 Uiso 1 1 calc R . . C9E C 0.5154(4) 0.0142(4) -0.05349(18) 0.0243(13) Uani 1 1 d . . . C10E C 0.5056(5) 0.0341(4) -0.01381(18) 0.0254(14) Uani 1 1 d . . . C11E C 0.5090(5) 0.1227(4) -0.00198(18) 0.0273(14) Uani 1 1 d . . . C12E C 0.4729(5) 0.0939(5) 0.10510(19) 0.0300(15) Uani 1 1 d . . . C13E C 0.4586(5) 0.1124(5) 0.1382(2) 0.0372(17) Uani 1 1 d . . . C14E C 0.4249(6) 0.0363(5) 0.2169(2) 0.0381(17) Uani 1 1 d . . . H14C H 0.4101 0.0518 0.2448 0.046 Uiso 1 1 calc R . . C15E C 0.5226(6) -0.0235(6) 0.2097(3) 0.052(2) Uani 1 1 d . . . H15I H 0.5155 -0.0780 0.2248 0.078 Uiso 1 1 calc R . . H15J H 0.5744 0.0078 0.2173 0.078 Uiso 1 1 calc R . . H15K H 0.5402 -0.0383 0.1824 0.078 Uiso 1 1 calc R . . C16E C 0.3416(6) -0.0151(6) 0.2086(3) 0.052(2) Uani 1 1 d . . . H16I H 0.3361 -0.0669 0.2255 0.078 Uiso 1 1 calc R . . H16J H 0.3560 -0.0346 0.1818 0.078 Uiso 1 1 calc R . . H16K H 0.2796 0.0233 0.2132 0.078 Uiso 1 1 calc R . . C17E C 0.3091(6) 0.2100(5) 0.1972(2) 0.0415(18) Uani 1 1 d . . . H17E H 0.2628 0.1725 0.1880 0.050 Uiso 1 1 calc R . . C18E C 0.2673(7) 0.2288(6) 0.2397(2) 0.056(2) Uani 1 1 d . . . H18G H 0.2014 0.2606 0.2421 0.084 Uiso 1 1 calc R . . H18H H 0.3104 0.2651 0.2503 0.084 Uiso 1 1 calc R . . H18I H 0.2633 0.1727 0.2538 0.084 Uiso 1 1 calc R . . C19E C 0.3043(7) 0.2962(6) 0.1744(2) 0.051(2) Uani 1 1 d . . . H19G H 0.2356 0.3215 0.1768 0.076 Uiso 1 1 calc R . . H19H H 0.3316 0.2841 0.1473 0.076 Uiso 1 1 calc R . . H19I H 0.3425 0.3384 0.1843 0.076 Uiso 1 1 calc R . . C20E C 0.5407(6) 0.1992(5) 0.1992(2) 0.0390(17) Uani 1 1 d . . . H20C H 0.6008 0.1578 0.1902 0.047 Uiso 1 1 calc R . . C21E C 0.5380(7) 0.2143(6) 0.2421(2) 0.052(2) Uani 1 1 d . . . H21G H 0.6000 0.2354 0.2457 0.077 Uiso 1 1 calc R . . H21H H 0.5289 0.1585 0.2560 0.077 Uiso 1 1 calc R . . H21I H 0.4833 0.2587 0.2518 0.077 Uiso 1 1 calc R . . C22E C 0.5544(6) 0.2855(5) 0.1765(2) 0.0467(19) Uani 1 1 d . . . H22G H 0.6193 0.3041 0.1778 0.070 Uiso 1 1 calc R . . H22H H 0.5033 0.3317 0.1876 0.070 Uiso 1 1 calc R . . H22I H 0.5495 0.2757 0.1497 0.070 Uiso 1 1 calc R . . Si1F Si 0.93135(15) 0.07971(13) 0.19600(5) 0.0341(4) Uani 1 1 d . . . C1F C 0.9826(5) 0.0563(5) 0.06828(19) 0.0289(14) Uani 1 1 d . . . C2F C 0.9964(4) 0.1323(4) 0.04443(18) 0.0258(14) Uani 1 1 d . . . C3F C 0.9991(5) 0.2167(5) 0.0592(2) 0.0305(15) Uani 1 1 d . . . H3FA H 0.9912 0.2247 0.0861 0.037 Uiso 1 1 calc R . . C4F C 1.0132(5) 0.2887(5) 0.0349(2) 0.0360(17) Uani 1 1 d . . . H4FA H 1.0177 0.3451 0.0453 0.043 Uiso 1 1 calc R . . C5F C 1.0209(5) 0.2792(5) -0.0044(2) 0.0341(16) Uani 1 1 d . . . H5FA H 1.0265 0.3299 -0.0204 0.041 Uiso 1 1 calc R . . C6F C 1.0207(5) 0.1965(4) -0.02049(19) 0.0290(14) Uani 1 1 d . . . C7F C 1.0321(5) 0.1846(4) -0.0612(2) 0.0305(15) Uani 1 1 d . . . H7FA H 1.0407 0.2343 -0.0777 0.037 Uiso 1 1 calc R . . C8F C 1.0309(5) 0.1041(4) -0.07643(19) 0.0290(14) Uani 1 1 d . . . H8FA H 1.0389 0.0981 -0.1035 0.035 Uiso 1 1 calc R . . C9F C 1.0177(5) 0.0269(5) -0.05250(19) 0.0297(15) Uani 1 1 d . . . C10F C 1.0069(4) 0.0368(4) -0.01224(18) 0.0243(13) Uani 1 1 d . . . C11F C 1.0073(4) 0.1223(4) 0.00396(18) 0.0250(13) Uani 1 1 d . . . C12F C 0.9678(5) 0.0676(5) 0.1090(2) 0.0316(16) Uani 1 1 d . . . C13F C 0.9536(5) 0.0755(5) 0.1433(2) 0.0341(16) Uani 1 1 d . . . C14F C 0.8143(6) 0.0240(5) 0.2124(2) 0.0383(17) Uani 1 1 d . . . H14D H 0.7621 0.0598 0.2010 0.046 Uiso 1 1 calc R . . C15F C 0.8184(6) -0.0689(5) 0.1971(2) 0.048(2) Uani 1 1 d . . . H15L H 0.7522 -0.0884 0.2018 0.073 Uiso 1 1 calc R . . H15M H 0.8618 -0.1091 0.2100 0.073 Uiso 1 1 calc R . . H15N H 0.8438 -0.0694 0.1694 0.073 Uiso 1 1 calc R . . C16F C 0.7785(7) 0.0268(7) 0.2554(2) 0.059(3) Uani 1 1 d . . . H16L H 0.7143 0.0035 0.2614 0.088 Uiso 1 1 calc R . . H16M H 0.7724 0.0882 0.2644 0.088 Uiso 1 1 calc R . . H16N H 0.8257 -0.0093 0.2682 0.088 Uiso 1 1 calc R . . C17F C 1.0464(5) 0.0241(5) 0.2116(2) 0.0393(17) Uani 1 1 d . . . H17F H 1.1009 0.0603 0.2005 0.047 Uiso 1 1 calc R . . C18F C 1.0757(6) -0.0683(5) 0.1953(2) 0.0445(18) Uani 1 1 d . . . H18J H 1.1431 -0.0878 0.1987 0.067 Uiso 1 1 calc R . . H18K H 1.0721 -0.0677 0.1680 0.067 Uiso 1 1 calc R . . H18L H 1.0309 -0.1091 0.2088 0.067 Uiso 1 1 calc R . . C19F C 1.0415(7) 0.0243(7) 0.2550(2) 0.058(2) Uani 1 1 d . . . H19J H 1.1049 -0.0007 0.2610 0.087 Uiso 1 1 calc R . . H19K H 0.9897 -0.0115 0.2672 0.087 Uiso 1 1 calc R . . H19L H 1.0269 0.0853 0.2646 0.087 Uiso 1 1 calc R . . C20F C 0.9151(6) 0.1979(5) 0.2113(2) 0.0440(19) Uani 1 1 d . . . H20D H 0.9009 0.1994 0.2400 0.053 Uiso 1 1 calc R . . C21F C 1.0051(7) 0.2463(6) 0.1979(3) 0.061(3) Uani 1 1 d . . . H21J H 0.9940 0.3063 0.2086 0.091 Uiso 1 1 calc R . . H21K H 1.0176 0.2496 0.1698 0.091 Uiso 1 1 calc R . . H21L H 1.0621 0.2143 0.2066 0.091 Uiso 1 1 calc R . . C22F C 0.8249(6) 0.2488(6) 0.1964(3) 0.054(2) Uani 1 1 d . . . H22J H 0.8151 0.3098 0.2059 0.081 Uiso 1 1 calc R . . H22K H 0.7658 0.2191 0.2057 0.081 Uiso 1 1 calc R . . H22L H 0.8377 0.2491 0.1683 0.081 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Si1A 0.0330(10) 0.0229(10) 0.0339(10) -0.0005(7) -0.0046(7) -0.0019(8) Si2A 0.0348(11) 0.0213(10) 0.0371(11) 0.0013(7) -0.0053(7) -0.0028(8) C1A 0.018(3) 0.020(4) 0.034(4) -0.002(2) 0.000(2) 0.005(2) C2A 0.020(3) 0.025(4) 0.037(4) -0.003(3) -0.006(2) -0.002(3) C3A 0.032(4) 0.017(4) 0.035(4) 0.002(3) -0.002(3) 0.007(3) C4A 0.032(4) 0.029(4) 0.027(4) -0.002(3) -0.004(3) 0.000(3) C5A 0.025(3) 0.029(4) 0.033(4) 0.000(3) -0.006(3) -0.001(3) C6A 0.035(4) 0.024(4) 0.040(4) -0.010(3) -0.009(3) -0.003(3) C7A 0.032(4) 0.031(4) 0.038(4) -0.001(3) -0.008(3) 0.000(3) C8A 0.028(3) 0.018(4) 0.036(4) -0.001(3) -0.004(3) -0.003(3) C9A 0.018(3) 0.022(4) 0.036(4) 0.000(3) -0.002(2) -0.003(2) C10A 0.023(3) 0.018(4) 0.039(4) -0.004(3) -0.004(2) -0.002(2) C11A 0.028(3) 0.017(4) 0.033(4) -0.001(2) -0.002(3) 0.003(3) C12A 0.032(4) 0.027(4) 0.033(4) -0.003(3) -0.006(3) -0.001(3) C13A 0.028(4) 0.025(4) 0.032(4) -0.004(3) -0.005(3) 0.005(3) C14A 0.023(3) 0.020(4) 0.038(4) 0.000(3) -0.004(2) -0.001(3) C15A 0.033(4) 0.026(4) 0.040(4) -0.007(3) -0.009(3) -0.003(3) C16A 0.038(4) 0.027(4) 0.036(4) -0.005(3) -0.009(3) -0.006(3) C17A 0.031(4) 0.012(3) 0.042(4) -0.003(3) -0.004(3) 0.002(3) C18A 0.026(3) 0.023(4) 0.034(4) 0.000(3) -0.006(3) 0.001(3) C19A 0.019(3) 0.023(4) 0.032(4) -0.002(3) -0.002(2) 0.000(2) C20A 0.022(3) 0.016(3) 0.035(4) -0.005(2) -0.001(2) 0.002(2) C21A 0.022(3) 0.025(4) 0.034(4) 0.000(3) -0.004(2) -0.002(3) C22A 0.022(3) 0.018(4) 0.034(4) -0.004(3) -0.003(2) 0.003(2) C23A 0.028(4) 0.028(4) 0.030(4) -0.007(3) -0.002(3) -0.007(3) C24A 0.033(4) 0.031(4) 0.036(4) -0.004(3) -0.004(3) -0.004(3) C25A 0.041(4) 0.038(5) 0.036(4) 0.006(3) -0.005(3) -0.008(3) C26A 0.035(4) 0.039(5) 0.055(5) -0.013(3) -0.005(3) 0.007(3) C27A 0.046(5) 0.035(5) 0.055(5) -0.011(3) -0.006(3) -0.007(4) C28A 0.035(4) 0.029(4) 0.043(4) -0.001(3) -0.010(3) -0.003(3) C29A 0.042(4) 0.039(5) 0.044(4) 0.002(3) 0.004(3) -0.008(3) C30A 0.045(4) 0.035(5) 0.040(4) 0.000(3) -0.002(3) -0.001(3) C31A 0.033(4) 0.036(5) 0.037(4) 0.001(3) -0.005(3) -0.001(3) C32A 0.048(5) 0.045(5) 0.045(5) 0.005(3) -0.013(3) -0.006(4) C33A 0.045(5) 0.033(5) 0.046(5) -0.004(3) -0.013(3) 0.001(3) C34A 0.028(3) 0.020(4) 0.034(4) -0.006(3) -0.004(3) -0.001(3) C35A 0.037(4) 0.026(4) 0.032(4) -0.008(3) -0.006(3) -0.006(3) C36A 0.042(4) 0.027(4) 0.041(4) 0.003(3) 0.000(3) -0.006(3) C37A 0.046(5) 0.039(5) 0.057(5) 0.005(4) -0.007(4) -0.009(4) C38A 0.036(4) 0.033(4) 0.051(5) -0.009(3) -0.011(3) -0.013(3) C39A 0.037(4) 0.028(4) 0.050(5) -0.004(3) -0.010(3) -0.006(3) C40A 0.058(5) 0.029(5) 0.054(5) 0.005(3) -0.015(4) -0.003(4) C41A 0.034(4) 0.022(4) 0.066(5) -0.008(3) -0.009(3) -0.005(3) C42A 0.052(5) 0.027(4) 0.046(5) 0.010(3) -0.010(3) -0.007(3) C43A 0.063(5) 0.040(5) 0.044(5) 0.004(3) -0.017(4) -0.008(4) C44A 0.062(5) 0.037(5) 0.044(5) -0.006(3) 0.000(4) 0.004(4) Si1B 0.0344(10) 0.0188(10) 0.0369(10) -0.0077(7) -0.0072(7) -0.0019(7) Si2B 0.0330(10) 0.0180(10) 0.0339(10) -0.0062(7) -0.0040(7) -0.0023(7) C1B 0.017(3) 0.012(3) 0.043(4) -0.009(2) -0.007(2) 0.000(2) C2B 0.021(3) 0.011(3) 0.037(4) -0.008(2) -0.002(2) 0.002(2) C3B 0.033(4) 0.027(4) 0.038(4) -0.010(3) -0.005(3) -0.010(3) C4B 0.027(3) 0.024(4) 0.032(4) -0.002(3) -0.004(3) -0.003(3) C5B 0.031(4) 0.023(4) 0.032(4) -0.002(3) -0.009(3) -0.002(3) C6B 0.031(4) 0.020(4) 0.035(4) 0.000(3) -0.001(3) 0.001(3) C7B 0.035(4) 0.021(4) 0.043(4) 0.002(3) -0.005(3) -0.009(3) C8B 0.030(4) 0.017(4) 0.043(4) -0.008(3) -0.009(3) -0.004(3) C9B 0.023(3) 0.012(3) 0.034(4) -0.003(2) -0.006(2) 0.000(2) C10B 0.023(3) 0.014(3) 0.037(4) -0.004(2) -0.008(2) 0.001(2) C11B 0.021(3) 0.017(3) 0.032(3) -0.006(2) -0.004(2) -0.004(2) C12B 0.024(3) 0.022(4) 0.037(4) -0.011(3) -0.004(3) -0.004(3) C13B 0.026(3) 0.019(4) 0.035(4) -0.005(2) -0.007(3) -0.002(3) C14B 0.028(3) 0.011(3) 0.037(4) 0.000(2) -0.005(3) 0.002(2) C15B 0.033(4) 0.014(3) 0.038(4) -0.001(3) -0.004(3) -0.003(3) C16B 0.032(4) 0.017(4) 0.041(4) 0.000(3) -0.007(3) -0.005(3) C17B 0.026(3) 0.015(4) 0.044(4) -0.006(3) -0.010(3) -0.003(3) C18B 0.027(3) 0.020(4) 0.036(4) -0.007(3) -0.007(3) -0.004(3) C19B 0.022(3) 0.016(3) 0.034(4) -0.004(2) -0.005(2) 0.000(2) C20B 0.021(3) 0.014(3) 0.034(4) -0.007(2) -0.008(2) 0.000(2) C21B 0.024(3) 0.011(3) 0.031(3) -0.004(2) -0.006(2) -0.002(2) C22B 0.025(3) 0.017(4) 0.033(4) -0.005(2) -0.006(2) 0.001(2) C23B 0.025(3) 0.012(3) 0.036(4) -0.005(2) -0.006(2) 0.000(2) C24B 0.026(3) 0.023(4) 0.041(4) 0.005(3) -0.009(3) -0.003(3) C25B 0.041(4) 0.019(4) 0.051(5) -0.010(3) -0.016(3) -0.001(3) C26B 0.034(4) 0.034(5) 0.063(5) -0.012(3) -0.010(3) -0.015(3) C27B 0.052(5) 0.025(4) 0.059(5) -0.007(3) -0.023(4) -0.003(3) C28B 0.033(4) 0.016(4) 0.042(4) -0.007(3) -0.006(3) -0.004(3) C29B 0.032(4) 0.027(4) 0.057(5) -0.003(3) -0.008(3) -0.002(3) C30B 0.041(4) 0.028(4) 0.056(5) -0.008(3) -0.006(3) -0.003(3) C31B 0.052(5) 0.021(4) 0.040(4) -0.010(3) -0.010(3) -0.003(3) C32B 0.058(5) 0.037(5) 0.041(5) 0.003(3) -0.002(3) 0.000(4) C33B 0.064(6) 0.032(5) 0.054(5) -0.002(3) -0.024(4) -0.002(4) C34B 0.021(3) 0.013(3) 0.038(4) -0.001(2) -0.004(2) -0.003(2) C35B 0.028(4) 0.016(4) 0.042(4) 0.003(3) -0.006(3) 0.002(3) C36B 0.040(4) 0.018(4) 0.040(4) -0.007(3) -0.010(3) 0.007(3) C37B 0.045(5) 0.035(5) 0.051(5) 0.005(3) -0.008(3) -0.009(3) C38B 0.041(4) 0.040(5) 0.053(5) 0.011(3) -0.011(3) -0.005(3) C39B 0.029(4) 0.029(4) 0.043(4) -0.002(3) -0.007(3) -0.009(3) C40B 0.041(4) 0.029(4) 0.040(4) -0.001(3) -0.005(3) -0.002(3) C41B 0.048(5) 0.027(4) 0.058(5) -0.009(3) -0.020(4) -0.005(3) C42B 0.032(4) 0.032(4) 0.037(4) -0.001(3) -0.005(3) -0.005(3) C43B 0.049(5) 0.040(5) 0.048(5) -0.004(3) -0.005(3) -0.002(4) C44B 0.033(4) 0.044(5) 0.049(5) 0.000(3) 0.002(3) -0.009(3) Si1C 0.0378(11) 0.0230(10) 0.0314(10) -0.0014(7) -0.0045(7) -0.0032(8) C1C 0.023(3) 0.018(4) 0.033(4) -0.001(2) -0.006(2) 0.002(2) C2C 0.022(3) 0.019(4) 0.033(4) -0.006(2) -0.003(2) -0.004(2) C3C 0.025(3) 0.014(3) 0.040(4) -0.007(3) -0.004(3) 0.001(2) C4C 0.029(4) 0.025(4) 0.033(4) -0.010(3) -0.004(3) -0.005(3) C5C 0.024(3) 0.010(3) 0.040(4) -0.007(2) -0.006(2) 0.001(2) C6C 0.032(4) 0.022(4) 0.042(4) -0.005(3) -0.007(3) -0.005(3) C7C 0.033(4) 0.025(4) 0.044(4) 0.000(3) -0.007(3) -0.009(3) C8C 0.029(4) 0.019(4) 0.040(4) 0.003(3) -0.004(3) -0.007(3) C9C 0.023(3) 0.020(4) 0.036(4) -0.004(3) -0.007(2) -0.002(3) C10C 0.023(3) 0.011(3) 0.036(4) -0.007(2) -0.002(2) -0.003(2) C11C 0.025(3) 0.016(4) 0.033(4) -0.006(2) -0.007(2) -0.003(2) C12C 0.025(3) 0.016(4) 0.038(4) -0.007(3) -0.005(3) 0.005(2) C13C 0.032(4) 0.014(4) 0.045(4) -0.006(3) -0.010(3) -0.003(3) C14C 0.048(4) 0.020(4) 0.032(4) 0.003(3) -0.002(3) -0.003(3) C15C 0.044(4) 0.022(4) 0.050(5) -0.002(3) -0.004(3) -0.005(3) C16C 0.052(5) 0.049(6) 0.042(5) 0.002(4) -0.009(3) 0.005(4) C17C 0.049(4) 0.028(4) 0.036(4) 0.005(3) -0.009(3) -0.008(3) C18C 0.042(4) 0.033(5) 0.059(5) -0.002(3) -0.016(3) -0.009(3) C19C 0.060(6) 0.057(6) 0.048(5) 0.011(4) -0.008(4) -0.029(4) C20C 0.043(4) 0.024(4) 0.039(4) -0.003(3) 0.001(3) 0.002(3) C21C 0.048(5) 0.044(6) 0.073(6) -0.025(4) -0.011(4) 0.005(4) C22C 0.057(5) 0.030(5) 0.060(5) -0.016(4) -0.013(4) -0.007(4) Si1D 0.0354(10) 0.0292(11) 0.0310(10) -0.0004(7) -0.0043(7) -0.0028(8) C1D 0.022(3) 0.017(3) 0.028(3) -0.003(2) -0.003(2) -0.001(2) C2D 0.022(3) 0.024(4) 0.032(4) -0.005(3) -0.004(2) -0.002(3) C3D 0.027(3) 0.023(4) 0.035(4) -0.010(3) -0.002(3) 0.004(3) C4D 0.035(4) 0.022(4) 0.038(4) -0.015(3) -0.006(3) -0.002(3) C5D 0.022(3) 0.023(4) 0.041(4) -0.004(3) -0.009(3) -0.003(3) C6D 0.035(4) 0.019(4) 0.049(5) -0.006(3) -0.009(3) -0.002(3) C7D 0.028(4) 0.018(4) 0.048(4) 0.004(3) -0.009(3) -0.002(3) C8D 0.029(4) 0.029(4) 0.037(4) 0.001(3) -0.006(3) -0.004(3) C9D 0.019(3) 0.020(4) 0.041(4) -0.004(3) -0.002(2) 0.000(2) C10D 0.025(3) 0.021(4) 0.035(4) -0.007(3) -0.004(2) -0.008(3) C11D 0.019(3) 0.022(4) 0.034(4) -0.004(2) -0.005(2) 0.000(2) C12D 0.023(3) 0.016(4) 0.040(4) -0.005(3) -0.006(3) -0.001(2) C13D 0.029(4) 0.028(4) 0.041(4) 0.000(3) -0.006(3) -0.007(3) C14D 0.045(4) 0.030(4) 0.043(4) -0.002(3) -0.008(3) -0.006(3) C15D 0.047(5) 0.042(6) 0.081(7) 0.007(4) -0.014(4) -0.003(4) C16D 0.045(5) 0.034(5) 0.084(7) 0.005(4) -0.010(4) -0.012(4) C17D 0.039(4) 0.025(4) 0.037(4) -0.004(3) -0.008(3) -0.002(3) C18D 0.039(5) 0.074(7) 0.041(5) 0.002(4) -0.002(3) -0.004(4) C19D 0.040(4) 0.034(5) 0.058(5) -0.005(3) -0.005(3) 0.003(3) C20D 0.042(4) 0.036(5) 0.035(4) -0.006(3) -0.006(3) -0.005(3) C21D 0.065(6) 0.096(8) 0.036(5) 0.003(4) -0.013(4) -0.032(5) C22D 0.049(5) 0.041(5) 0.056(5) -0.007(4) -0.014(4) -0.011(4) Si1E 0.0450(12) 0.0289(11) 0.0293(10) -0.0047(7) -0.0046(8) -0.0021(8) C1E 0.020(3) 0.027(4) 0.035(4) -0.006(3) -0.005(2) 0.000(3) C2E 0.021(3) 0.023(4) 0.035(4) -0.005(3) -0.004(2) 0.003(3) C3E 0.029(4) 0.028(4) 0.043(4) -0.013(3) -0.005(3) 0.002(3) C4E 0.027(4) 0.027(4) 0.054(5) -0.010(3) -0.003(3) -0.003(3) C5E 0.036(4) 0.017(4) 0.049(4) -0.001(3) -0.007(3) -0.003(3) C6E 0.026(3) 0.022(4) 0.039(4) 0.000(3) -0.007(3) -0.004(3) C7E 0.029(4) 0.025(4) 0.041(4) 0.006(3) -0.005(3) 0.003(3) C8E 0.031(4) 0.021(4) 0.033(4) -0.001(3) -0.004(3) 0.002(3) C9E 0.023(3) 0.018(4) 0.033(4) -0.004(2) -0.007(2) -0.001(2) C10E 0.023(3) 0.020(4) 0.032(4) -0.005(2) -0.003(2) -0.001(2) C11E 0.036(4) 0.012(3) 0.033(4) -0.003(2) -0.006(3) 0.000(3) C12E 0.025(4) 0.029(4) 0.037(4) -0.005(3) -0.005(3) -0.006(3) C13E 0.030(4) 0.044(5) 0.036(4) -0.005(3) -0.003(3) -0.001(3) C14E 0.045(4) 0.027(4) 0.041(4) 0.000(3) -0.006(3) -0.003(3) C15E 0.054(5) 0.033(5) 0.068(6) 0.007(4) -0.013(4) 0.000(4) C16E 0.050(5) 0.036(5) 0.071(6) 0.004(4) -0.011(4) -0.013(4) C17E 0.053(5) 0.038(5) 0.033(4) -0.008(3) -0.004(3) -0.011(4) C18E 0.074(6) 0.042(5) 0.046(5) -0.012(4) 0.000(4) 0.011(4) C19E 0.062(6) 0.041(5) 0.051(5) -0.003(4) -0.015(4) -0.006(4) C20E 0.051(5) 0.028(4) 0.037(4) -0.005(3) -0.002(3) -0.009(3) C21E 0.064(6) 0.052(6) 0.042(5) -0.004(4) -0.008(4) -0.023(4) C22E 0.055(5) 0.040(5) 0.047(5) -0.005(3) -0.009(4) -0.013(4) Si1F 0.0415(11) 0.0295(11) 0.0309(10) -0.0053(7) -0.0061(8) -0.0014(8) C1F 0.025(3) 0.026(4) 0.035(4) -0.003(3) -0.006(3) 0.005(3) C2F 0.022(3) 0.021(4) 0.033(4) -0.003(3) -0.003(2) 0.002(2) C3F 0.027(3) 0.024(4) 0.041(4) -0.008(3) -0.007(3) -0.001(3) C4F 0.029(4) 0.030(4) 0.047(4) -0.008(3) -0.004(3) 0.004(3) C5F 0.028(4) 0.030(4) 0.041(4) 0.003(3) -0.002(3) 0.001(3) C6F 0.028(4) 0.021(4) 0.036(4) -0.004(3) -0.005(3) 0.001(3) C7F 0.030(4) 0.018(4) 0.042(4) 0.006(3) -0.004(3) -0.003(3) C8F 0.034(4) 0.021(4) 0.031(4) -0.001(3) -0.002(3) -0.002(3) C9F 0.022(3) 0.029(4) 0.037(4) 0.005(3) -0.005(3) 0.003(3) C10F 0.020(3) 0.016(4) 0.036(4) -0.003(2) -0.003(2) 0.002(2) C11F 0.022(3) 0.020(4) 0.033(4) -0.002(2) -0.004(2) 0.001(2) C12F 0.029(4) 0.028(4) 0.035(4) -0.002(3) -0.005(3) 0.006(3) C13F 0.036(4) 0.027(4) 0.039(4) -0.006(3) -0.007(3) 0.002(3) C14F 0.044(4) 0.028(4) 0.042(4) -0.008(3) -0.004(3) 0.000(3) C15F 0.052(5) 0.027(5) 0.065(6) -0.009(4) -0.007(4) -0.001(4) C16F 0.063(6) 0.075(7) 0.042(5) -0.001(4) -0.003(4) -0.033(5) C17F 0.038(4) 0.040(5) 0.039(4) -0.003(3) -0.008(3) -0.001(3) C18F 0.047(5) 0.036(5) 0.051(5) 0.000(3) -0.010(3) -0.005(4) C19F 0.054(5) 0.075(7) 0.046(5) -0.009(4) -0.020(4) 0.008(5) C20F 0.049(5) 0.043(5) 0.041(4) -0.012(3) -0.011(3) 0.000(4) C21F 0.055(6) 0.025(5) 0.105(8) -0.017(4) -0.020(5) -0.008(4) C22F 0.052(5) 0.035(5) 0.073(6) -0.008(4) -0.010(4) 0.007(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Si1A C24A 1.816(8) . ? Si1A C25A 1.868(8) . ? Si1A C28A 1.887(7) . ? Si1A C31A 1.903(7) . ? Si2A C35A 1.838(8) . ? Si2A C36A 1.872(8) . ? Si2A C39A 1.874(8) . ? Si2A C42A 1.883(8) . ? C1A C2A 1.402(9) . ? C1A C18A 1.426(9) . ? C1A C23A 1.430(9) . ? C2A C21A 1.427(9) . ? C2A C3A 1.429(9) . ? C3A C4A 1.353(9) . ? C3A H3AA 0.9500 . ? C4A C5A 1.425(9) . ? C4A H4AA 0.9500 . ? C5A C6A 1.388(9) . ? C5A C22A 1.438(9) . ? C6A C7A 1.390(10) . ? C6A H6AA 0.9500 . ? C7A C8A 1.363(9) . ? C7A H7AA 0.9500 . ? C8A C9A 1.414(9) . ? C8A H8AA 0.9500 . ? C9A C22A 1.423(9) . ? C9A C10A 1.426(9) . ? C10A C11A 1.394(9) . ? C10A C34A 1.429(9) . ? C11A C20A 1.428(9) . ? C11A C12A 1.437(9) . ? C12A C13A 1.355(9) . ? C12A H12A 0.9500 . ? C13A C14A 1.441(9) . ? C13A H13A 0.9500 . ? C14A C15A 1.389(9) . ? C14A C19A 1.419(9) . ? C15A C16A 1.383(10) . ? C15A H15A 0.9500 . ? C16A C17A 1.369(9) . ? C16A H16A 0.9500 . ? C17A C18A 1.403(9) . ? C17A H17A 0.9500 . ? C18A C19A 1.420(9) . ? C19A C20A 1.417(9) . ? C20A C21A 1.413(9) . ? C21A C22A 1.407(9) . ? C23A C24A 1.219(10) . ? C25A C26A 1.535(10) . ? C25A C27A 1.557(11) . ? C25A H25A 1.0000 . ? C26A H26A 0.9800 . ? C26A H26B 0.9800 . ? C26A H26C 0.9800 . ? C27A H27A 0.9800 . ? C27A H27B 0.9800 . ? C27A H27C 0.9800 . ? C28A C30A 1.510(10) . ? C28A C29A 1.542(10) . ? C28A H28A 1.0000 . ? C29A H29A 0.9800 . ? C29A H29B 0.9800 . ? C29A H29C 0.9800 . ? C30A H30A 0.9800 . ? C30A H30B 0.9800 . ? C30A H30C 0.9800 . ? C31A C32A 1.508(10) . ? C31A C33A 1.524(10) . ? C31A H31A 1.0000 . ? C32A H32A 0.9800 . ? C32A H32B 0.9800 . ? C32A H32C 0.9800 . ? C33A H33A 0.9800 . ? C33A H33B 0.9800 . ? C33A H33C 0.9800 . ? C34A C35A 1.199(10) . ? C36A C37A 1.526(10) . ? C36A C38A 1.546(10) . ? C36A H36A 1.0000 . ? C37A H37A 0.9800 . ? C37A H37B 0.9800 . ? C37A H37C 0.9800 . ? C38A H38A 0.9800 . ? C38A H38B 0.9800 . ? C38A H38C 0.9800 . ? C39A C40A 1.539(11) . ? C39A C41A 1.540(10) . ? C39A H39A 1.0000 . ? C40A H40A 0.9800 . ? C40A H40B 0.9800 . ? C40A H40C 0.9800 . ? C41A H41A 0.9800 . ? C41A H41B 0.9800 . ? C41A H41C 0.9800 . ? C42A C44A 1.521(11) . ? C42A C43A 1.539(11) . ? C42A H42A 1.0000 . ? C43A H43A 0.9800 . ? C43A H43B 0.9800 . ? C43A H43C 0.9800 . ? C44A H44A 0.9800 . ? C44A H44B 0.9800 . ? C44A H44C 0.9800 . ? Si1B C24B 1.816(7) . ? Si1B C31B 1.877(8) . ? Si1B C25B 1.886(7) . ? Si1B C28B 1.886(7) . ? Si2B C35B 1.827(7) . ? Si2B C36B 1.877(7) . ? Si2B C39B 1.888(7) . ? Si2B C42B 1.906(7) . ? C1B C2B 1.383(9) . ? C1B C23B 1.429(8) . ? C1B C18B 1.436(9) . ? C2B C3B 1.438(9) . ? C2B C21B 1.445(8) . ? C3B C4B 1.354(10) . ? C3B H3BA 0.9500 . ? C4B C5B 1.426(9) . ? C4B H4BA 0.9500 . ? C5B C6B 1.400(9) . ? C5B C22B 1.411(9) . ? C6B C7B 1.402(9) . ? C6B H6BA 0.9500 . ? C7B C8B 1.356(10) . ? C7B H7BA 0.9500 . ? C8B C9B 1.416(9) . ? C8B H8BA 0.9500 . ? C9B C10B 1.411(9) . ? C9B C22B 1.433(8) . ? C10B C11B 1.408(9) . ? C10B C34B 1.422(8) . ? C11B C12B 1.428(9) . ? C11B C20B 1.437(8) . ? C12B C13B 1.360(9) . ? C12B H12B 0.9500 . ? C13B C14B 1.422(9) . ? C13B H13B 0.9500 . ? C14B C15B 1.395(9) . ? C14B C19B 1.417(9) . ? C15B C16B 1.403(9) . ? C15B H15B 0.9500 . ? C16B C17B 1.357(10) . ? C16B H16B 0.9500 . ? C17B C18B 1.406(9) . ? C17B H17B 0.9500 . ? C18B C19B 1.434(8) . ? C19B C20B 1.423(9) . ? C20B C21B 1.398(9) . ? C21B C22B 1.415(9) . ? C23B C24B 1.215(9) . ? C25B C27B 1.531(9) . ? C25B C26B 1.537(11) . ? C25B H25B 1.0000 . ? C26B H26D 0.9800 . ? C26B H26E 0.9800 . ? C26B H26F 0.9800 . ? C27B H27D 0.9800 . ? C27B H27E 0.9800 . ? C27B H27F 0.9800 . ? C28B C29B 1.531(10) . ? C28B C30B 1.537(9) . ? C28B H28B 1.0000 . ? C29B H29D 0.9800 . ? C29B H29E 0.9800 . ? C29B H29F 0.9800 . ? C30B H30D 0.9800 . ? C30B H30E 0.9800 . ? C30B H30F 0.9800 . ? C31B C33B 1.521(11) . ? C31B C32B 1.550(11) . ? C31B H31B 1.0000 . ? C32B H32D 0.9800 . ? C32B H32E 0.9800 . ? C32B H32F 0.9800 . ? C33B H33D 0.9800 . ? C33B H33E 0.9800 . ? C33B H33F 0.9800 . ? C34B C35B 1.214(9) . ? C36B C38B 1.530(10) . ? C36B C37B 1.543(10) . ? C36B H36B 1.0000 . ? C37B H37D 0.9800 . ? C37B H37E 0.9800 . ? C37B H37F 0.9800 . ? C38B H38D 0.9800 . ? C38B H38E 0.9800 . ? C38B H38F 0.9800 . ? C39B C40B 1.522(10) . ? C39B C41B 1.530(9) . ? C39B H39B 1.0000 . ? C40B H40D 0.9800 . ? C40B H40E 0.9800 . ? C40B H40F 0.9800 . ? C41B H41D 0.9800 . ? C41B H41E 0.9800 . ? C41B H41F 0.9800 . ? C42B C43B 1.516(10) . ? C42B C44B 1.523(10) . ? C42B H42B 1.0000 . ? C43B H43D 0.9800 . ? C43B H43E 0.9800 . ? C43B H43F 0.9800 . ? C44B H44D 0.9800 . ? C44B H44E 0.9800 . ? C44B H44F 0.9800 . ? Si1C C13C 1.827(8) . ? Si1C C20C 1.867(7) . ? Si1C C14C 1.889(8) . ? Si1C C17C 1.890(7) . ? C1C C2C 1.351(9) . ? C1C C12C 1.429(9) . ? C1C C9C 1.455(9) 2_566 ? C2C C11C 1.435(9) . ? C2C C3C 1.452(8) . ? C3C C4C 1.348(9) . ? C3C H3CA 0.9500 . ? C4C C5C 1.429(9) . ? C4C H4CA 0.9500 . ? C5C C6C 1.389(9) . ? C5C C10C 1.444(8) . ? C6C C7C 1.368(10) . ? C6C H6CA 0.9500 . ? C7C C8C 1.394(10) . ? C7C H7CA 0.9500 . ? C8C C9C 1.416(9) . ? C8C H8CA 0.9500 . ? C9C C10C 1.415(9) . ? C9C C1C 1.455(9) 2_566 ? C10C C11C 1.410(9) . ? C11C C11C 1.393(12) 2_566 ? C12C C13C 1.207(9) . ? C14C C15C 1.515(9) . ? C14C C16C 1.531(10) . ? C14C H14A 1.0000 . ? C15C H15C 0.9800 . ? C15C H15D 0.9800 . ? C15C H15E 0.9800 . ? C16C H16C 0.9800 . ? C16C H16D 0.9800 . ? C16C H16E 0.9800 . ? C17C C18C 1.516(10) . ? C17C C19C 1.522(10) . ? C17C H17C 1.0000 . ? C18C H18A 0.9800 . ? C18C H18B 0.9800 . ? C18C H18C 0.9800 . ? C19C H19A 0.9800 . ? C19C H19B 0.9800 . ? C19C H19C 0.9800 . ? C20C C22C 1.541(11) . ? C20C C21C 1.568(11) . ? C20C H20A 1.0000 . ? C21C H21A 0.9800 . ? C21C H21B 0.9800 . ? C21C H21C 0.9800 . ? C22C H22A 0.9800 . ? C22C H22B 0.9800 . ? C22C H22C 0.9800 . ? Si1D C13D 1.833(7) . ? Si1D C14D 1.879(8) . ? Si1D C17D 1.898(7) . ? Si1D C20D 1.898(7) . ? C1D C2D 1.385(9) . ? C1D C12D 1.418(9) . ? C1D C9D 1.432(9) 2_666 ? C2D C11D 1.424(9) . ? C2D C3D 1.441(9) . ? C3D C4D 1.359(10) . ? C3D H3DA 0.9500 . ? C4D C5D 1.413(10) . ? C4D H4DA 0.9500 . ? C5D C6D 1.380(10) . ? C5D C10D 1.435(9) . ? C6D C7D 1.388(10) . ? C6D H6DA 0.9500 . ? C7D C8D 1.371(10) . ? C7D H7DA 0.9500 . ? C8D C9D 1.413(9) . ? C8D H8DA 0.9500 . ? C9D C10D 1.417(9) . ? C9D C1D 1.432(9) 2_666 ? C10D C11D 1.426(9) . ? C11D C11D 1.407(12) 2_666 ? C12D C13D 1.218(9) . ? C14D C15D 1.529(11) . ? C14D C16D 1.535(11) . ? C14D H14B 1.0000 . ? C15D H15F 0.9800 . ? C15D H15G 0.9800 . ? C15D H15H 0.9800 . ? C16D H16F 0.9800 . ? C16D H16G 0.9800 . ? C16D H16H 0.9800 . ? C17D C19D 1.526(10) . ? C17D C18D 1.528(10) . ? C17D H17D 1.0000 . ? C18D H18D 0.9800 . ? C18D H18E 0.9800 . ? C18D H18F 0.9800 . ? C19D H19D 0.9800 . ? C19D H19E 0.9800 . ? C19D H19F 0.9800 . ? C20D C22D 1.517(11) . ? C20D C21D 1.524(11) . ? C20D H20B 1.0000 . ? C21D H21D 0.9800 . ? C21D H21E 0.9800 . ? C21D H21F 0.9800 . ? C22D H22D 0.9800 . ? C22D H22E 0.9800 . ? C22D H22F 0.9800 . ? Si1E C13E 1.836(7) . ? Si1E C14E 1.874(8) . ? Si1E C17E 1.888(8) . ? Si1E C20E 1.890(8) . ? C1E C9E 1.383(9) 2_655 ? C1E C12E 1.437(9) . ? C1E C2E 1.439(10) . ? C2E C3E 1.406(9) . ? C2E C11E 1.425(9) . ? C3E C4E 1.365(11) . ? C3E H3EA 0.9500 . ? C4E C5E 1.381(10) . ? C4E H4EA 0.9500 . ? C5E C6E 1.383(9) . ? C5E H5EA 0.9500 . ? C6E C11E 1.424(9) . ? C6E C7E 1.437(10) . ? C7E C8E 1.332(9) . ? C7E H7EA 0.9500 . ? C8E C9E 1.443(9) . ? C8E H8EA 0.9500 . ? C9E C1E 1.383(9) 2_655 ? C9E C10E 1.424(9) . ? C10E C10E 1.412(13) 2_655 ? C10E C11E 1.425(9) . ? C12E C13E 1.190(9) . ? C14E C16E 1.532(11) . ? C14E C15E 1.538(11) . ? C14E H14C 1.0000 . ? C15E H15I 0.9800 . ? C15E H15J 0.9800 . ? C15E H15K 0.9800 . ? C16E H16I 0.9800 . ? C16E H16J 0.9800 . ? C16E H16K 0.9800 . ? C17E C19E 1.528(11) . ? C17E C18E 1.535(10) . ? C17E H17E 1.0000 . ? C18E H18G 0.9800 . ? C18E H18H 0.9800 . ? C18E H18I 0.9800 . ? C19E H19G 0.9800 . ? C19E H19H 0.9800 . ? C19E H19I 0.9800 . ? C20E C21E 1.534(10) . ? C20E C22E 1.534(11) . ? C20E H20C 1.0000 . ? C21E H21G 0.9800 . ? C21E H21H 0.9800 . ? C21E H21I 0.9800 . ? C22E H22G 0.9800 . ? C22E H22H 0.9800 . ? C22E H22I 0.9800 . ? Si1F C13F 1.841(7) . ? Si1F C20F 1.864(8) . ? Si1F C17F 1.896(8) . ? Si1F C14F 1.903(8) . ? C1F C9F 1.390(10) 2_755 ? C1F C2F 1.426(9) . ? C1F C12F 1.433(9) . ? C2F C3F 1.399(9) . ? C2F C11F 1.425(9) . ? C3F C4F 1.386(10) . ? C3F H3FA 0.9500 . ? C4F C5F 1.387(10) . ? C4F H4FA 0.9500 . ? C5F C6F 1.391(9) . ? C5F H5FA 0.9500 . ? C6F C11F 1.415(9) . ? C6F C7F 1.438(10) . ? C7F C8F 1.348(9) . ? C7F H7FA 0.9500 . ? C8F C9F 1.441(9) . ? C8F H8FA 0.9500 . ? C9F C1F 1.390(10) 2_755 ? C9F C10F 1.418(9) . ? C10F C10F 1.408(13) 2_755 ? C10F C11F 1.430(9) . ? C12F C13F 1.201(9) . ? C14F C15F 1.513(10) . ? C14F C16F 1.517(11) . ? C14F H14D 1.0000 . ? C15F H15L 0.9800 . ? C15F H15M 0.9800 . ? C15F H15N 0.9800 . ? C16F H16L 0.9800 . ? C16F H16M 0.9800 . ? C16F H16N 0.9800 . ? C17F C18F 1.514(10) . ? C17F C19F 1.528(11) . ? C17F H17F 1.0000 . ? C18F H18J 0.9800 . ? C18F H18K 0.9800 . ? C18F H18L 0.9800 . ? C19F H19J 0.9800 . ? C19F H19K 0.9800 . ? C19F H19L 0.9800 . ? C20F C21F 1.514(12) . ? C20F C22F 1.571(12) . ? C20F H20D 1.0000 . ? C21F H21J 0.9800 . ? C21F H21K 0.9800 . ? C21F H21L 0.9800 . ? C22F H22J 0.9800 . ? C22F H22K 0.9800 . ? C22F H22L 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 C24A Si1A C25A 108.5(3) . . ? C24A Si1A C28A 106.4(3) . . ? C25A Si1A C28A 109.9(3) . . ? C24A Si1A C31A 105.6(3) . . ? C25A Si1A C31A 110.5(3) . . ? C28A Si1A C31A 115.6(3) . . ? C35A Si2A C36A 106.5(3) . . ? C35A Si2A C39A 105.8(3) . . ? C36A Si2A C39A 116.2(3) . . ? C35A Si2A C42A 106.3(3) . . ? C36A Si2A C42A 110.1(3) . . ? C39A Si2A C42A 111.2(3) . . ? C2A C1A C18A 120.9(6) . . ? C2A C1A C23A 119.7(6) . . ? C18A C1A C23A 119.4(6) . . ? C1A C2A C21A 119.5(6) . . ? C1A C2A C3A 121.3(6) . . ? C21A C2A C3A 119.2(6) . . ? C4A C3A C2A 120.8(6) . . ? C4A C3A H3AA 119.6 . . ? C2A C3A H3AA 119.6 . . ? C3A C4A C5A 122.2(6) . . ? C3A C4A H4AA 118.9 . . ? C5A C4A H4AA 118.9 . . ? C6A C5A C4A 123.4(6) . . ? C6A C5A C22A 119.1(6) . . ? C4A C5A C22A 117.5(6) . . ? C5A C6A C7A 121.2(6) . . ? C5A C6A H6AA 119.4 . . ? C7A C6A H6AA 119.4 . . ? C8A C7A C6A 120.5(6) . . ? C8A C7A H7AA 119.7 . . ? C6A C7A H7AA 119.7 . . ? C7A C8A C9A 121.4(6) . . ? C7A C8A H8AA 119.3 . . ? C9A C8A H8AA 119.3 . . ? C8A C9A C22A 118.6(6) . . ? C8A C9A C10A 121.9(6) . . ? C22A C9A C10A 119.4(6) . . ? C11A C10A C9A 120.6(6) . . ? C11A C10A C34A 119.5(6) . . ? C9A C10A C34A 119.9(5) . . ? C10A C11A C20A 119.8(6) . . ? C10A C11A C12A 121.8(6) . . ? C20A C11A C12A 118.4(6) . . ? C13A C12A C11A 121.0(6) . . ? C13A C12A H12A 119.5 . . ? C11A C12A H12A 119.5 . . ? C12A C13A C14A 121.6(6) . . ? C12A C13A H13A 119.2 . . ? C14A C13A H13A 119.2 . . ? C15A C14A C19A 119.7(6) . . ? C15A C14A C13A 121.9(6) . . ? C19A C14A C13A 118.4(6) . . ? C16A C15A C14A 120.2(6) . . ? C16A C15A H15A 119.9 . . ? C14A C15A H15A 119.9 . . ? C17A C16A C15A 121.1(6) . . ? C17A C16A H16A 119.4 . . ? C15A C16A H16A 119.4 . . ? C16A C17A C18A 120.9(6) . . ? C16A C17A H17A 119.5 . . ? C18A C17A H17A 119.5 . . ? C17A C18A C19A 118.5(6) . . ? C17A C18A C1A 122.3(6) . . ? C19A C18A C1A 119.1(6) . . ? C20A C19A C14A 120.1(6) . . ? C20A C19A C18A 120.3(6) . . ? C14A C19A C18A 119.5(6) . . ? C21A C20A C19A 119.7(6) . . ? C21A C20A C11A 119.9(6) . . ? C19A C20A C11A 120.4(6) . . ? C22A C21A C20A 120.3(6) . . ? C22A C21A C2A 119.3(6) . . ? C20A C21A C2A 120.4(6) . . ? C21A C22A C9A 119.9(6) . . ? C21A C22A C5A 120.9(6) . . ? C9A C22A C5A 119.2(6) . . ? C24A C23A C1A 177.8(7) . . ? C23A C24A Si1A 175.3(6) . . ? C26A C25A C27A 111.1(6) . . ? C26A C25A Si1A 111.5(5) . . ? C27A C25A Si1A 111.1(5) . . ? C26A C25A H25A 107.7 . . ? C27A C25A H25A 107.7 . . ? Si1A C25A H25A 107.7 . . ? C25A C26A H26A 109.5 . . ? C25A C26A H26B 109.5 . . ? H26A C26A H26B 109.5 . . ? C25A C26A H26C 109.5 . . ? H26A C26A H26C 109.5 . . ? H26B C26A H26C 109.5 . . ? C25A C27A H27A 109.5 . . ? C25A C27A H27B 109.5 . . ? H27A C27A H27B 109.5 . . ? C25A C27A H27C 109.5 . . ? H27A C27A H27C 109.5 . . ? H27B C27A H27C 109.5 . . ? C30A C28A C29A 112.2(6) . . ? C30A C28A Si1A 113.9(5) . . ? C29A C28A Si1A 113.3(5) . . ? C30A C28A H28A 105.5 . . ? C29A C28A H28A 105.5 . . ? Si1A C28A H28A 105.5 . . ? C28A C29A H29A 109.5 . . ? C28A C29A H29B 109.5 . . ? H29A C29A H29B 109.5 . . ? C28A C29A H29C 109.5 . . ? H29A C29A H29C 109.5 . . ? H29B C29A H29C 109.5 . . ? C28A C30A H30A 109.5 . . ? C28A C30A H30B 109.5 . . ? H30A C30A H30B 109.5 . . ? C28A C30A H30C 109.5 . . ? H30A C30A H30C 109.5 . . ? H30B C30A H30C 109.5 . . ? C32A C31A C33A 111.7(6) . . ? C32A C31A Si1A 113.8(5) . . ? C33A C31A Si1A 113.3(5) . . ? C32A C31A H31A 105.7 . . ? C33A C31A H31A 105.7 . . ? Si1A C31A H31A 105.7 . . ? C31A C32A H32A 109.5 . . ? C31A C32A H32B 109.5 . . ? H32A C32A H32B 109.5 . . ? C31A C32A H32C 109.5 . . ? H32A C32A H32C 109.5 . . ? H32B C32A H32C 109.5 . . ? C31A C33A H33A 109.5 . . ? C31A C33A H33B 109.5 . . ? H33A C33A H33B 109.5 . . ? C31A C33A H33C 109.5 . . ? H33A C33A H33C 109.5 . . ? H33B C33A H33C 109.5 . . ? C35A C34A C10A 179.1(8) . . ? C34A C35A Si2A 178.8(6) . . ? C37A C36A C38A 110.7(6) . . ? C37A C36A Si2A 114.2(5) . . ? C38A C36A Si2A 113.5(5) . . ? C37A C36A H36A 105.9 . . ? C38A C36A H36A 105.9 . . ? Si2A C36A H36A 105.9 . . ? C36A C37A H37A 109.5 . . ? C36A C37A H37B 109.5 . . ? H37A C37A H37B 109.5 . . ? C36A C37A H37C 109.5 . . ? H37A C37A H37C 109.5 . . ? H37B C37A H37C 109.5 . . ? C36A C38A H38A 109.5 . . ? C36A C38A H38B 109.5 . . ? H38A C38A H38B 109.5 . . ? C36A C38A H38C 109.5 . . ? H38A C38A H38C 109.5 . . ? H38B C38A H38C 109.5 . . ? C40A C39A C41A 110.9(6) . . ? C40A C39A Si2A 114.4(5) . . ? C41A C39A Si2A 113.6(5) . . ? C40A C39A H39A 105.7 . . ? C41A C39A H39A 105.7 . . ? Si2A C39A H39A 105.7 . . ? C39A C40A H40A 109.5 . . ? C39A C40A H40B 109.5 . . ? H40A C40A H40B 109.5 . . ? C39A C40A H40C 109.5 . . ? H40A C40A H40C 109.5 . . ? H40B C40A H40C 109.5 . . ? C39A C41A H41A 109.5 . . ? C39A C41A H41B 109.5 . . ? H41A C41A H41B 109.5 . . ? C39A C41A H41C 109.5 . . ? H41A C41A H41C 109.5 . . ? H41B C41A H41C 109.5 . . ? C44A C42A C43A 111.2(7) . . ? C44A C42A Si2A 112.3(5) . . ? C43A C42A Si2A 110.5(5) . . ? C44A C42A H42A 107.5 . . ? C43A C42A H42A 107.5 . . ? Si2A C42A H42A 107.5 . . ? C42A C43A H43A 109.5 . . ? C42A C43A H43B 109.5 . . ? H43A C43A H43B 109.5 . . ? C42A C43A H43C 109.5 . . ? H43A C43A H43C 109.5 . . ? H43B C43A H43C 109.5 . . ? C42A C44A H44A 109.5 . . ? C42A C44A H44B 109.5 . . ? H44A C44A H44B 109.5 . . ? C42A C44A H44C 109.5 . . ? H44A C44A H44C 109.5 . . ? H44B C44A H44C 109.5 . . ? C24B Si1B C31B 107.3(3) . . ? C24B Si1B C25B 106.4(3) . . ? C31B Si1B C25B 109.9(3) . . ? C24B Si1B C28B 105.0(3) . . ? C31B Si1B C28B 111.0(3) . . ? C25B Si1B C28B 116.6(3) . . ? C35B Si2B C36B 107.4(3) . . ? C35B Si2B C39B 106.2(3) . . ? C36B Si2B C39B 110.8(3) . . ? C35B Si2B C42B 106.4(3) . . ? C36B Si2B C42B 109.5(3) . . ? C39B Si2B C42B 115.9(3) . . ? C2B C1B C23B 119.9(6) . . ? C2B C1B C18B 121.1(5) . . ? C23B C1B C18B 119.0(6) . . ? C1B C2B C3B 121.9(5) . . ? C1B C2B C21B 120.4(6) . . ? C3B C2B C21B 117.7(6) . . ? C4B C3B C2B 121.6(6) . . ? C4B C3B H3BA 119.2 . . ? C2B C3B H3BA 119.2 . . ? C3B C4B C5B 121.4(6) . . ? C3B C4B H4BA 119.3 . . ? C5B C4B H4BA 119.3 . . ? C6B C5B C22B 119.2(6) . . ? C6B C5B C4B 121.8(6) . . ? C22B C5B C4B 119.0(6) . . ? C5B C6B C7B 120.0(6) . . ? C5B C6B H6BA 120.0 . . ? C7B C6B H6BA 120.0 . . ? C8B C7B C6B 121.4(6) . . ? C8B C7B H7BA 119.3 . . ? C6B C7B H7BA 119.3 . . ? C7B C8B C9B 121.0(6) . . ? C7B C8B H8BA 119.5 . . ? C9B C8B H8BA 119.5 . . ? C10B C9B C8B 122.6(5) . . ? C10B C9B C22B 119.4(6) . . ? C8B C9B C22B 118.0(6) . . ? C11B C10B C9B 121.6(5) . . ? C11B C10B C34B 118.2(6) . . ? C9B C10B C34B 120.2(6) . . ? C10B C11B C12B 121.8(5) . . ? C10B C11B C20B 118.6(6) . . ? C12B C11B C20B 119.6(6) . . ? C13B C12B C11B 120.5(6) . . ? C13B C12B H12B 119.7 . . ? C11B C12B H12B 119.7 . . ? C12B C13B C14B 121.6(6) . . ? C12B C13B H13B 119.2 . . ? C14B C13B H13B 119.2 . . ? C15B C14B C19B 118.9(6) . . ? C15B C14B C13B 121.8(6) . . ? C19B C14B C13B 119.3(6) . . ? C14B C15B C16B 120.5(6) . . ? C14B C15B H15B 119.7 . . ? C16B C15B H15B 119.7 . . ? C17B C16B C15B 121.1(6) . . ? C17B C16B H16B 119.5 . . ? C15B C16B H16B 119.5 . . ? C16B C17B C18B 121.1(6) . . ? C16B C17B H17B 119.5 . . ? C18B C17B H17B 119.5 . . ? C17B C18B C19B 118.5(6) . . ? C17B C18B C1B 123.0(6) . . ? C19B C18B C1B 118.5(6) . . ? C14B C19B C20B 120.2(5) . . ? C14B C19B C18B 119.9(6) . . ? C20B C19B C18B 119.8(6) . . ? C21B C20B C19B 120.9(5) . . ? C21B C20B C11B 120.3(6) . . ? C19B C20B C11B 118.8(6) . . ? C20B C21B C22B 120.9(5) . . ? C20B C21B C2B 119.3(5) . . ? C22B C21B C2B 119.8(6) . . ? C5B C22B C21B 120.5(5) . . ? C5B C22B C9B 120.2(6) . . ? C21B C22B C9B 119.2(6) . . ? C24B C23B C1B 178.4(7) . . ? C23B C24B Si1B 176.5(6) . . ? C27B C25B C26B 111.3(6) . . ? C27B C25B Si1B 113.9(5) . . ? C26B C25B Si1B 113.1(5) . . ? C27B C25B H25B 105.9 . . ? C26B C25B H25B 105.9 . . ? Si1B C25B H25B 105.9 . . ? C25B C26B H26D 109.5 . . ? C25B C26B H26E 109.5 . . ? H26D C26B H26E 109.5 . . ? C25B C26B H26F 109.5 . . ? H26D C26B H26F 109.5 . . ? H26E C26B H26F 109.5 . . ? C25B C27B H27D 109.5 . . ? C25B C27B H27E 109.5 . . ? H27D C27B H27E 109.5 . . ? C25B C27B H27F 109.5 . . ? H27D C27B H27F 109.5 . . ? H27E C27B H27F 109.5 . . ? C29B C28B C30B 111.1(6) . . ? C29B C28B Si1B 113.5(5) . . ? C30B C28B Si1B 114.0(5) . . ? C29B C28B H28B 105.8 . . ? C30B C28B H28B 105.8 . . ? Si1B C28B H28B 105.8 . . ? C28B C29B H29D 109.5 . . ? C28B C29B H29E 109.5 . . ? H29D C29B H29E 109.5 . . ? C28B C29B H29F 109.5 . . ? H29D C29B H29F 109.5 . . ? H29E C29B H29F 109.5 . . ? C28B C30B H30D 109.5 . . ? C28B C30B H30E 109.5 . . ? H30D C30B H30E 109.5 . . ? C28B C30B H30F 109.5 . . ? H30D C30B H30F 109.5 . . ? H30E C30B H30F 109.5 . . ? C33B C31B C32B 111.7(7) . . ? C33B C31B Si1B 111.7(5) . . ? C32B C31B Si1B 110.9(5) . . ? C33B C31B H31B 107.4 . . ? C32B C31B H31B 107.4 . . ? Si1B C31B H31B 107.4 . . ? C31B C32B H32D 109.5 . . ? C31B C32B H32E 109.5 . . ? H32D C32B H32E 109.5 . . ? C31B C32B H32F 109.5 . . ? H32D C32B H32F 109.5 . . ? H32E C32B H32F 109.5 . . ? C31B C33B H33D 109.5 . . ? C31B C33B H33E 109.5 . . ? H33D C33B H33E 109.5 . . ? C31B C33B H33F 109.5 . . ? H33D C33B H33F 109.5 . . ? H33E C33B H33F 109.5 . . ? C35B C34B C10B 178.4(7) . . ? C34B C35B Si2B 173.5(6) . . ? C38B C36B C37B 111.3(6) . . ? C38B C36B Si2B 111.2(5) . . ? C37B C36B Si2B 111.0(5) . . ? C38B C36B H36B 107.7 . . ? C37B C36B H36B 107.7 . . ? Si2B C36B H36B 107.7 . . ? C36B C37B H37D 109.5 . . ? C36B C37B H37E 109.5 . . ? H37D C37B H37E 109.5 . . ? C36B C37B H37F 109.5 . . ? H37D C37B H37F 109.5 . . ? H37E C37B H37F 109.5 . . ? C36B C38B H38D 109.5 . . ? C36B C38B H38E 109.5 . . ? H38D C38B H38E 109.5 . . ? C36B C38B H38F 109.5 . . ? H38D C38B H38F 109.5 . . ? H38E C38B H38F 109.5 . . ? C40B C39B C41B 111.5(6) . . ? C40B C39B Si2B 113.5(5) . . ? C41B C39B Si2B 113.3(5) . . ? C40B C39B H39B 105.9 . . ? C41B C39B H39B 105.9 . . ? Si2B C39B H39B 105.9 . . ? C39B C40B H40D 109.5 . . ? C39B C40B H40E 109.5 . . ? H40D C40B H40E 109.5 . . ? C39B C40B H40F 109.5 . . ? H40D C40B H40F 109.5 . . ? H40E C40B H40F 109.5 . . ? C39B C41B H41D 109.5 . . ? C39B C41B H41E 109.5 . . ? H41D C41B H41E 109.5 . . ? C39B C41B H41F 109.5 . . ? H41D C41B H41F 109.5 . . ? H41E C41B H41F 109.5 . . ? C43B C42B C44B 112.3(6) . . ? C43B C42B Si2B 114.0(5) . . ? C44B C42B Si2B 112.8(5) . . ? C43B C42B H42B 105.6 . . ? C44B C42B H42B 105.6 . . ? Si2B C42B H42B 105.6 . . ? C42B C43B H43D 109.5 . . ? C42B C43B H43E 109.5 . . ? H43D C43B H43E 109.5 . . ? C42B C43B H43F 109.5 . . ? H43D C43B H43F 109.5 . . ? H43E C43B H43F 109.5 . . ? C42B C44B H44D 109.5 . . ? C42B C44B H44E 109.5 . . ? H44D C44B H44E 109.5 . . ? C42B C44B H44F 109.5 . . ? H44D C44B H44F 109.5 . . ? H44E C44B H44F 109.5 . . ? C13C Si1C C20C 107.1(3) . . ? C13C Si1C C14C 107.0(3) . . ? C20C Si1C C14C 109.6(3) . . ? C13C Si1C C17C 106.4(3) . . ? C20C Si1C C17C 110.8(3) . . ? C14C Si1C C17C 115.6(3) . . ? C2C C1C C12C 122.1(6) . . ? C2C C1C C9C 120.6(6) . 2_566 ? C12C C1C C9C 117.2(6) . 2_566 ? C1C C2C C11C 120.9(6) . . ? C1C C2C C3C 121.9(6) . . ? C11C C2C C3C 117.3(6) . . ? C4C C3C C2C 122.1(6) . . ? C4C C3C H3CA 119.0 . . ? C2C C3C H3CA 119.0 . . ? C3C C4C C5C 121.8(6) . . ? C3C C4C H4CA 119.1 . . ? C5C C4C H4CA 119.1 . . ? C6C C5C C4C 122.5(6) . . ? C6C C5C C10C 119.6(6) . . ? C4C C5C C10C 117.8(6) . . ? C7C C6C C5C 121.3(6) . . ? C7C C6C H6CA 119.3 . . ? C5C C6C H6CA 119.3 . . ? C6C C7C C8C 121.0(7) . . ? C6C C7C H7CA 119.5 . . ? C8C C7C H7CA 119.5 . . ? C7C C8C C9C 119.7(6) . . ? C7C C8C H8CA 120.1 . . ? C9C C8C H8CA 120.1 . . ? C10C C9C C8C 120.0(6) . . ? C10C C9C C1C 117.8(6) . 2_566 ? C8C C9C C1C 122.1(6) . 2_566 ? C11C C10C C9C 121.1(5) . . ? C11C C10C C5C 120.6(6) . . ? C9C C10C C5C 118.2(6) . . ? C11C C11C C10C 119.6(8) 2_566 . ? C11C C11C C2C 120.0(8) 2_566 . ? C10C C11C C2C 120.5(5) . . ? C13C C12C C1C 179.3(7) . . ? C12C C13C Si1C 177.2(6) . . ? C15C C14C C16C 111.4(6) . . ? C15C C14C Si1C 114.0(5) . . ? C16C C14C Si1C 113.3(5) . . ? C15C C14C H14A 105.8 . . ? C16C C14C H14A 105.8 . . ? Si1C C14C H14A 105.8 . . ? C14C C15C H15C 109.5 . . ? C14C C15C H15D 109.5 . . ? H15C C15C H15D 109.5 . . ? C14C C15C H15E 109.5 . . ? H15C C15C H15E 109.5 . . ? H15D C15C H15E 109.5 . . ? C14C C16C H16C 109.5 . . ? C14C C16C H16D 109.5 . . ? H16C C16C H16D 109.5 . . ? C14C C16C H16E 109.5 . . ? H16C C16C H16E 109.5 . . ? H16D C16C H16E 109.5 . . ? C18C C17C C19C 111.2(7) . . ? C18C C17C Si1C 115.7(5) . . ? C19C C17C Si1C 113.1(5) . . ? C18C C17C H17C 105.2 . . ? C19C C17C H17C 105.2 . . ? Si1C C17C H17C 105.2 . . ? C17C C18C H18A 109.5 . . ? C17C C18C H18B 109.5 . . ? H18A C18C H18B 109.5 . . ? C17C C18C H18C 109.5 . . ? H18A C18C H18C 109.5 . . ? H18B C18C H18C 109.5 . . ? C17C C19C H19A 109.5 . . ? C17C C19C H19B 109.5 . . ? H19A C19C H19B 109.5 . . ? C17C C19C H19C 109.5 . . ? H19A C19C H19C 109.5 . . ? H19B C19C H19C 109.5 . . ? C22C C20C C21C 109.1(7) . . ? C22C C20C Si1C 112.3(5) . . ? C21C C20C Si1C 112.3(5) . . ? C22C C20C H20A 107.6 . . ? C21C C20C H20A 107.6 . . ? Si1C C20C H20A 107.6 . . ? C20C C21C H21A 109.5 . . ? C20C C21C H21B 109.5 . . ? H21A C21C H21B 109.5 . . ? C20C C21C H21C 109.5 . . ? H21A C21C H21C 109.5 . . ? H21B C21C H21C 109.5 . . ? C20C C22C H22A 109.5 . . ? C20C C22C H22B 109.5 . . ? H22A C22C H22B 109.5 . . ? C20C C22C H22C 109.5 . . ? H22A C22C H22C 109.5 . . ? H22B C22C H22C 109.5 . . ? C13D Si1D C14D 108.2(3) . . ? C13D Si1D C17D 107.1(3) . . ? C14D Si1D C17D 109.8(3) . . ? C13D Si1D C20D 105.9(3) . . ? C14D Si1D C20D 110.0(3) . . ? C17D Si1D C20D 115.5(3) . . ? C2D C1D C12D 120.6(5) . . ? C2D C1D C9D 120.4(6) . 2_666 ? C12D C1D C9D 119.0(6) . 2_666 ? C1D C2D C11D 119.9(6) . . ? C1D C2D C3D 121.4(6) . . ? C11D C2D C3D 118.6(6) . . ? C4D C3D C2D 120.8(6) . . ? C4D C3D H3DA 119.6 . . ? C2D C3D H3DA 119.6 . . ? C3D C4D C5D 122.2(6) . . ? C3D C4D H4DA 118.9 . . ? C5D C4D H4DA 118.9 . . ? C6D C5D C4D 123.0(6) . . ? C6D C5D C10D 118.5(6) . . ? C4D C5D C10D 118.5(6) . . ? C5D C6D C7D 121.5(6) . . ? C5D C6D H6DA 119.3 . . ? C7D C6D H6DA 119.3 . . ? C8D C7D C6D 120.6(6) . . ? C8D C7D H7DA 119.7 . . ? C6D C7D H7DA 119.7 . . ? C7D C8D C9D 121.0(6) . . ? C7D C8D H8DA 119.5 . . ? C9D C8D H8DA 119.5 . . ? C8D C9D C10D 118.2(6) . . ? C8D C9D C1D 122.1(6) . 2_666 ? C10D C9D C1D 119.6(6) . 2_666 ? C9D C10D C11D 119.9(6) . . ? C9D C10D C5D 120.2(6) . . ? C11D C10D C5D 119.9(6) . . ? C11D C11D C2D 120.7(8) 2_666 . ? C11D C11D C10D 119.3(7) 2_666 . ? C2D C11D C10D 119.9(6) . . ? C13D C12D C1D 179.4(7) . . ? C12D C13D Si1D 175.5(6) . . ? C15D C14D C16D 108.9(7) . . ? C15D C14D Si1D 112.0(5) . . ? C16D C14D Si1D 111.8(6) . . ? C15D C14D H14B 108.0 . . ? C16D C14D H14B 108.0 . . ? Si1D C14D H14B 108.0 . . ? C14D C15D H15F 109.5 . . ? C14D C15D H15G 109.5 . . ? H15F C15D H15G 109.5 . . ? C14D C15D H15H 109.5 . . ? H15F C15D H15H 109.5 . . ? H15G C15D H15H 109.5 . . ? C14D C16D H16F 109.5 . . ? C14D C16D H16G 109.5 . . ? H16F C16D H16G 109.5 . . ? C14D C16D H16H 109.5 . . ? H16F C16D H16H 109.5 . . ? H16G C16D H16H 109.5 . . ? C19D C17D C18D 112.4(6) . . ? C19D C17D Si1D 114.0(5) . . ? C18D C17D Si1D 113.9(5) . . ? C19D C17D H17D 105.2 . . ? C18D C17D H17D 105.2 . . ? Si1D C17D H17D 105.2 . . ? C17D C18D H18D 109.5 . . ? C17D C18D H18E 109.5 . . ? H18D C18D H18E 109.5 . . ? C17D C18D H18F 109.5 . . ? H18D C18D H18F 109.5 . . ? H18E C18D H18F 109.5 . . ? C17D C19D H19D 109.5 . . ? C17D C19D H19E 109.5 . . ? H19D C19D H19E 109.5 . . ? C17D C19D H19F 109.5 . . ? H19D C19D H19F 109.5 . . ? H19E C19D H19F 109.5 . . ? C22D C20D C21D 111.2(7) . . ? C22D C20D Si1D 113.6(5) . . ? C21D C20D Si1D 113.7(5) . . ? C22D C20D H20B 105.9 . . ? C21D C20D H20B 105.9 . . ? Si1D C20D H20B 105.9 . . ? C20D C21D H21D 109.5 . . ? C20D C21D H21E 109.5 . . ? H21D C21D H21E 109.5 . . ? C20D C21D H21F 109.5 . . ? H21D C21D H21F 109.5 . . ? H21E C21D H21F 109.5 . . ? C20D C22D H22D 109.5 . . ? C20D C22D H22E 109.5 . . ? H22D C22D H22E 109.5 . . ? C20D C22D H22F 109.5 . . ? H22D C22D H22F 109.5 . . ? H22E C22D H22F 109.5 . . ? C13E Si1E C14E 106.7(4) . . ? C13E Si1E C17E 105.8(3) . . ? C14E Si1E C17E 109.9(3) . . ? C13E Si1E C20E 107.3(3) . . ? C14E Si1E C20E 109.8(3) . . ? C17E Si1E C20E 116.8(3) . . ? C9E C1E C12E 120.8(6) 2_655 . ? C9E C1E C2E 121.2(6) 2_655 . ? C12E C1E C2E 118.0(6) . . ? C3E C2E C11E 118.5(6) . . ? C3E C2E C1E 123.0(6) . . ? C11E C2E C1E 118.6(6) . . ? C4E C3E C2E 120.8(7) . . ? C4E C3E H3EA 119.6 . . ? C2E C3E H3EA 119.6 . . ? C3E C4E C5E 121.0(7) . . ? C3E C4E H4EA 119.5 . . ? C5E C4E H4EA 119.5 . . ? C4E C5E C6E 121.3(7) . . ? C4E C5E H5EA 119.4 . . ? C6E C5E H5EA 119.4 . . ? C5E C6E C11E 118.8(6) . . ? C5E C6E C7E 123.1(6) . . ? C11E C6E C7E 118.1(6) . . ? C8E C7E C6E 121.7(6) . . ? C8E C7E H7EA 119.1 . . ? C6E C7E H7EA 119.1 . . ? C7E C8E C9E 122.0(6) . . ? C7E C8E H8EA 119.0 . . ? C9E C8E H8EA 119.0 . . ? C1E C9E C10E 120.1(6) 2_655 . ? C1E C9E C8E 121.9(6) 2_655 . ? C10E C9E C8E 118.0(6) . . ? C10E C10E C9E 120.2(7) 2_655 . ? C10E C10E C11E 119.8(7) 2_655 . ? C9E C10E C11E 119.9(6) . . ? C6E C11E C10E 120.2(6) . . ? C6E C11E C2E 119.7(6) . . ? C10E C11E C2E 120.1(6) . . ? C13E C12E C1E 177.8(7) . . ? C12E C13E Si1E 178.3(7) . . ? C16E C14E C15E 109.8(7) . . ? C16E C14E Si1E 112.3(6) . . ? C15E C14E Si1E 112.0(5) . . ? C16E C14E H14C 107.5 . . ? C15E C14E H14C 107.5 . . ? Si1E C14E H14C 107.5 . . ? C14E C15E H15I 109.5 . . ? C14E C15E H15J 109.5 . . ? H15I C15E H15J 109.5 . . ? C14E C15E H15K 109.5 . . ? H15I C15E H15K 109.5 . . ? H15J C15E H15K 109.5 . . ? C14E C16E H16I 109.5 . . ? C14E C16E H16J 109.5 . . ? H16I C16E H16J 109.5 . . ? C14E C16E H16K 109.5 . . ? H16I C16E H16K 109.5 . . ? H16J C16E H16K 109.5 . . ? C19E C17E C18E 109.7(7) . . ? C19E C17E Si1E 115.1(6) . . ? C18E C17E Si1E 113.3(6) . . ? C19E C17E H17E 106.0 . . ? C18E C17E H17E 106.0 . . ? Si1E C17E H17E 106.0 . . ? C17E C18E H18G 109.5 . . ? C17E C18E H18H 109.5 . . ? H18G C18E H18H 109.5 . . ? C17E C18E H18I 109.5 . . ? H18G C18E H18I 109.5 . . ? H18H C18E H18I 109.5 . . ? C17E C19E H19G 109.5 . . ? C17E C19E H19H 109.5 . . ? H19G C19E H19H 109.5 . . ? C17E C19E H19I 109.5 . . ? H19G C19E H19I 109.5 . . ? H19H C19E H19I 109.5 . . ? C21E C20E C22E 110.8(6) . . ? C21E C20E Si1E 113.2(5) . . ? C22E C20E Si1E 113.1(6) . . ? C21E C20E H20C 106.4 . . ? C22E C20E H20C 106.4 . . ? Si1E C20E H20C 106.4 . . ? C20E C21E H21G 109.5 . . ? C20E C21E H21H 109.5 . . ? H21G C21E H21H 109.5 . . ? C20E C21E H21I 109.5 . . ? H21G C21E H21I 109.5 . . ? H21H C21E H21I 109.5 . . ? C20E C22E H22G 109.5 . . ? C20E C22E H22H 109.5 . . ? H22G C22E H22H 109.5 . . ? C20E C22E H22I 109.5 . . ? H22G C22E H22I 109.5 . . ? H22H C22E H22I 109.5 . . ? C13F Si1F C20F 108.7(4) . . ? C13F Si1F C17F 106.6(3) . . ? C20F Si1F C17F 108.5(4) . . ? C13F Si1F C14F 105.7(3) . . ? C20F Si1F C14F 111.2(3) . . ? C17F Si1F C14F 115.9(4) . . ? C9F C1F C2F 121.0(6) 2_755 . ? C9F C1F C12F 120.6(6) 2_755 . ? C2F C1F C12F 118.4(6) . . ? C3F C2F C11F 118.6(6) . . ? C3F C2F C1F 122.6(6) . . ? C11F C2F C1F 118.8(6) . . ? C4F C3F C2F 120.6(6) . . ? C4F C3F H3FA 119.7 . . ? C2F C3F H3FA 119.7 . . ? C3F C4F C5F 120.7(7) . . ? C3F C4F H4FA 119.6 . . ? C5F C4F H4FA 119.6 . . ? C4F C5F C6F 120.8(7) . . ? C4F C5F H5FA 119.6 . . ? C6F C5F H5FA 119.6 . . ? C5F C6F C11F 119.0(6) . . ? C5F C6F C7F 121.8(6) . . ? C11F C6F C7F 119.2(6) . . ? C8F C7F C6F 121.1(6) . . ? C8F C7F H7FA 119.4 . . ? C6F C7F H7FA 119.4 . . ? C7F C8F C9F 121.3(6) . . ? C7F C8F H8FA 119.3 . . ? C9F C8F H8FA 119.3 . . ? C1F C9F C10F 120.1(6) 2_755 . ? C1F C9F C8F 121.2(6) 2_755 . ? C10F C9F C8F 118.7(6) . . ? C10F C10F C9F 120.5(7) 2_755 . ? C10F C10F C11F 119.3(7) 2_755 . ? C9F C10F C11F 120.1(6) . . ? C6F C11F C2F 120.2(6) . . ? C6F C11F C10F 119.6(6) . . ? C2F C11F C10F 120.2(6) . . ? C13F C12F C1F 178.2(8) . . ? C12F C13F Si1F 176.3(6) . . ? C15F C14F C16F 111.0(7) . . ? C15F C14F Si1F 114.0(5) . . ? C16F C14F Si1F 114.1(5) . . ? C15F C14F H14D 105.6 . . ? C16F C14F H14D 105.6 . . ? Si1F C14F H14D 105.6 . . ? C14F C15F H15L 109.5 . . ? C14F C15F H15M 109.5 . . ? H15L C15F H15M 109.5 . . ? C14F C15F H15N 109.5 . . ? H15L C15F H15N 109.5 . . ? H15M C15F H15N 109.5 . . ? C14F C16F H16L 109.5 . . ? C14F C16F H16M 109.5 . . ? H16L C16F H16M 109.5 . . ? C14F C16F H16N 109.5 . . ? H16L C16F H16N 109.5 . . ? H16M C16F H16N 109.5 . . ? C18F C17F C19F 111.1(7) . . ? C18F C17F Si1F 113.0(5) . . ? C19F C17F Si1F 113.5(5) . . ? C18F C17F H17F 106.2 . . ? C19F C17F H17F 106.2 . . ? Si1F C17F H17F 106.2 . . ? C17F C18F H18J 109.5 . . ? C17F C18F H18K 109.5 . . ? H18J C18F H18K 109.5 . . ? C17F C18F H18L 109.5 . . ? H18J C18F H18L 109.5 . . ? H18K C18F H18L 109.5 . . ? C17F C19F H19J 109.5 . . ? C17F C19F H19K 109.5 . . ? H19J C19F H19K 109.5 . . ? C17F C19F H19L 109.5 . . ? H19J C19F H19L 109.5 . . ? H19K C19F H19L 109.5 . . ? C21F C20F C22F 108.9(7) . . ? C21F C20F Si1F 113.4(6) . . ? C22F C20F Si1F 110.4(5) . . ? C21F C20F H20D 108.0 . . ? C22F C20F H20D 108.0 . . ? Si1F C20F H20D 108.0 . . ? C20F C21F H21J 109.5 . . ? C20F C21F H21K 109.5 . . ? H21J C21F H21K 109.5 . . ? C20F C21F H21L 109.5 . . ? H21J C21F H21L 109.5 . . ? H21K C21F H21L 109.5 . . ? C20F C22F H22J 109.5 . . ? C20F C22F H22K 109.5 . . ? H22J C22F H22K 109.5 . . ? C20F C22F H22L 109.5 . . ? H22J C22F H22L 109.5 . . ? H22K C22F H22L 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 C18A C1A C2A C21A 2.3(9) . . . . ? C23A C1A C2A C21A -176.9(6) . . . . ? C18A C1A C2A C3A -179.6(6) . . . . ? C23A C1A C2A C3A 1.2(9) . . . . ? C1A C2A C3A C4A 179.9(6) . . . . ? C21A C2A C3A C4A -2.0(9) . . . . ? C2A C3A C4A C5A 1.5(10) . . . . ? C3A C4A C5A C6A 178.7(6) . . . . ? C3A C4A C5A C22A -1.0(10) . . . . ? C4A C5A C6A C7A -179.3(6) . . . . ? C22A C5A C6A C7A 0.4(10) . . . . ? C5A C6A C7A C8A -0.4(10) . . . . ? C6A C7A C8A C9A 0.6(10) . . . . ? C7A C8A C9A C22A -0.8(9) . . . . ? C7A C8A C9A C10A -178.5(6) . . . . ? C8A C9A C10A C11A -178.9(6) . . . . ? C22A C9A C10A C11A 3.4(9) . . . . ? C8A C9A C10A C34A 1.6(9) . . . . ? C22A C9A C10A C34A -176.0(6) . . . . ? C9A C10A C11A C20A -2.5(9) . . . . ? C34A C10A C11A C20A 177.0(6) . . . . ? C9A C10A C11A C12A 178.9(6) . . . . ? C34A C10A C11A C12A -1.6(9) . . . . ? C10A C11A C12A C13A 179.7(6) . . . . ? C20A C11A C12A C13A 1.0(9) . . . . ? C11A C12A C13A C14A -0.9(10) . . . . ? C12A C13A C14A C15A -179.3(6) . . . . ? C12A C13A C14A C19A 1.0(9) . . . . ? C19A C14A C15A C16A -2.2(10) . . . . ? C13A C14A C15A C16A 178.1(6) . . . . ? C14A C15A C16A C17A 3.0(10) . . . . ? C15A C16A C17A C18A -2.9(10) . . . . ? C16A C17A C18A C19A 2.0(10) . . . . ? C16A C17A C18A C1A -179.7(6) . . . . ? C2A C1A C18A C17A 179.1(6) . . . . ? C23A C1A C18A C17A -1.7(9) . . . . ? C2A C1A C18A C19A -2.7(9) . . . . ? C23A C1A C18A C19A 176.6(6) . . . . ? C15A C14A C19A C20A 179.1(6) . . . . ? C13A C14A C19A C20A -1.1(9) . . . . ? C15A C14A C19A C18A 1.3(9) . . . . ? C13A C14A C19A C18A -178.9(6) . . . . ? C17A C18A C19A C20A -179.0(6) . . . . ? C1A C18A C19A C20A 2.6(9) . . . . ? C17A C18A C19A C14A -1.2(9) . . . . ? C1A C18A C19A C14A -179.6(6) . . . . ? C14A C19A C20A C21A 179.9(6) . . . . ? C18A C19A C20A C21A -2.3(9) . . . . ? C14A C19A C20A C11A 1.2(9) . . . . ? C18A C19A C20A C11A 179.0(6) . . . . ? C10A C11A C20A C21A 1.5(9) . . . . ? C12A C11A C20A C21A -179.8(6) . . . . ? C10A C11A C20A C19A -179.8(6) . . . . ? C12A C11A C20A C19A -1.2(9) . . . . ? C19A C20A C21A C22A 179.9(6) . . . . ? C11A C20A C21A C22A -1.5(9) . . . . ? C19A C20A C21A C2A 1.9(9) . . . . ? C11A C20A C21A C2A -179.4(6) . . . . ? C1A C2A C21A C22A -179.9(6) . . . . ? C3A C2A C21A C22A 2.0(9) . . . . ? C1A C2A C21A C20A -2.0(9) . . . . ? C3A C2A C21A C20A 179.9(6) . . . . ? C20A C21A C22A C9A 2.4(9) . . . . ? C2A C21A C22A C9A -179.7(6) . . . . ? C20A C21A C22A C5A -179.5(6) . . . . ? C2A C21A C22A C5A -1.6(9) . . . . ? C8A C9A C22A C21A 178.9(6) . . . . ? C10A C9A C22A C21A -3.4(9) . . . . ? C8A C9A C22A C5A 0.8(9) . . . . ? C10A C9A C22A C5A 178.5(6) . . . . ? C6A C5A C22A C21A -178.7(6) . . . . ? C4A C5A C22A C21A 1.0(9) . . . . ? C6A C5A C22A C9A -0.6(9) . . . . ? C4A C5A C22A C9A 179.1(6) . . . . ? C2A C1A C23A C24A 20(19) . . . . ? C18A C1A C23A C24A -159(19) . . . . ? C1A C23A C24A Si1A -5(25) . . . . ? C25A Si1A C24A C23A 156(8) . . . . ? C28A Si1A C24A C23A -86(8) . . . . ? C31A Si1A C24A C23A 37(8) . . . . ? C24A Si1A C25A C26A -62.0(6) . . . . ? C28A Si1A C25A C26A -178.0(5) . . . . ? C31A Si1A C25A C26A 53.2(6) . . . . ? C24A Si1A C25A C27A 62.4(6) . . . . ? C28A Si1A C25A C27A -53.5(6) . . . . ? C31A Si1A C25A C27A 177.7(5) . . . . ? C24A Si1A C28A C30A 55.1(6) . . . . ? C25A Si1A C28A C30A 172.3(5) . . . . ? C31A Si1A C28A C30A -61.7(6) . . . . ? C24A Si1A C28A C29A -175.1(5) . . . . ? C25A Si1A C28A C29A -57.9(6) . . . . ? C31A Si1A C28A C29A 68.1(6) . . . . ? C24A Si1A C31A C32A 176.5(5) . . . . ? C25A Si1A C31A C32A 59.4(6) . . . . ? C28A Si1A C31A C32A -66.2(6) . . . . ? C24A Si1A C31A C33A -54.5(6) . . . . ? C25A Si1A C31A C33A -171.6(5) . . . . ? C28A Si1A C31A C33A 62.8(6) . . . . ? C11A C10A C34A C35A -117(52) . . . . ? C9A C10A C34A C35A 63(52) . . . . ? C10A C34A C35A Si2A 106(55) . . . . ? C36A Si2A C35A C34A 137(33) . . . . ? C39A Si2A C35A C34A -99(33) . . . . ? C42A Si2A C35A C34A 20(33) . . . . ? C35A Si2A C36A C37A -173.4(5) . . . . ? C39A Si2A C36A C37A 69.1(6) . . . . ? C42A Si2A C36A C37A -58.5(6) . . . . ? C35A Si2A C36A C38A 58.4(6) . . . . ? C39A Si2A C36A C38A -59.1(6) . . . . ? C42A Si2A C36A C38A 173.3(5) . . . . ? C35A Si2A C39A C40A 169.6(5) . . . . ? C36A Si2A C39A C40A -72.4(6) . . . . ? C42A Si2A C39A C40A 54.6(6) . . . . ? C35A Si2A C39A C41A -61.6(6) . . . . ? C36A Si2A C39A C41A 56.4(6) . . . . ? C42A Si2A C39A C41A -176.6(5) . . . . ? C35A Si2A C42A C44A 62.4(6) . . . . ? C36A Si2A C42A C44A -52.6(6) . . . . ? C39A Si2A C42A C44A 177.1(5) . . . . ? C35A Si2A C42A C43A -62.5(6) . . . . ? C36A Si2A C42A C43A -177.5(5) . . . . ? C39A Si2A C42A C43A 52.2(6) . . . . ? C23B C1B C2B C3B -2.1(9) . . . . ? C18B C1B C2B C3B 179.0(6) . . . . ? C23B C1B C2B C21B 178.6(6) . . . . ? C18B C1B C2B C21B -0.3(9) . . . . ? C1B C2B C3B C4B 179.9(6) . . . . ? C21B C2B C3B C4B -0.8(9) . . . . ? C2B C3B C4B C5B 0.3(10) . . . . ? C3B C4B C5B C6B -178.6(6) . . . . ? C3B C4B C5B C22B -0.4(10) . . . . ? C22B C5B C6B C7B 1.1(10) . . . . ? C4B C5B C6B C7B 179.3(6) . . . . ? C5B C6B C7B C8B -1.1(10) . . . . ? C6B C7B C8B C9B 2.2(10) . . . . ? C7B C8B C9B C10B 178.8(6) . . . . ? C7B C8B C9B C22B -3.2(9) . . . . ? C8B C9B C10B C11B 176.7(6) . . . . ? C22B C9B C10B C11B -1.2(9) . . . . ? C8B C9B C10B C34B -3.5(9) . . . . ? C22B C9B C10B C34B 178.6(6) . . . . ? C9B C10B C11B C12B -178.8(6) . . . . ? C34B C10B C11B C12B 1.4(9) . . . . ? C9B C10B C11B C20B 1.4(9) . . . . ? C34B C10B C11B C20B -178.4(6) . . . . ? C10B C11B C12B C13B -179.2(6) . . . . ? C20B C11B C12B C13B 0.6(9) . . . . ? C11B C12B C13B C14B -0.7(9) . . . . ? C12B C13B C14B C15B 178.0(6) . . . . ? C12B C13B C14B C19B 1.2(9) . . . . ? C19B C14B C15B C16B -2.4(10) . . . . ? C13B C14B C15B C16B -179.2(6) . . . . ? C14B C15B C16B C17B 1.2(10) . . . . ? C15B C16B C17B C18B -0.4(10) . . . . ? C16B C17B C18B C19B 1.0(9) . . . . ? C16B C17B C18B C1B -179.8(6) . . . . ? C2B C1B C18B C17B -178.6(6) . . . . ? C23B C1B C18B C17B 2.5(9) . . . . ? C2B C1B C18B C19B 0.6(9) . . . . ? C23B C1B C18B C19B -178.3(6) . . . . ? C15B C14B C19B C20B -178.5(6) . . . . ? C13B C14B C19B C20B -1.6(9) . . . . ? C15B C14B C19B C18B 2.9(9) . . . . ? C13B C14B C19B C18B 179.8(6) . . . . ? C17B C18B C19B C14B -2.2(9) . . . . ? C1B C18B C19B C14B 178.5(6) . . . . ? C17B C18B C19B C20B 179.2(6) . . . . ? C1B C18B C19B C20B -0.1(9) . . . . ? C14B C19B C20B C21B -179.4(6) . . . . ? C18B C19B C20B C21B -0.9(9) . . . . ? C14B C19B C20B C11B 1.6(9) . . . . ? C18B C19B C20B C11B -179.9(6) . . . . ? C10B C11B C20B C21B -0.2(9) . . . . ? C12B C11B C20B C21B 179.9(5) . . . . ? C10B C11B C20B C19B 178.8(5) . . . . ? C12B C11B C20B C19B -1.1(9) . . . . ? C19B C20B C21B C22B 179.9(6) . . . . ? C11B C20B C21B C22B -1.1(9) . . . . ? C19B C20B C21B C2B 1.2(8) . . . . ? C11B C20B C21B C2B -179.8(6) . . . . ? C1B C2B C21B C20B -0.6(9) . . . . ? C3B C2B C21B C20B -180.0(5) . . . . ? C1B C2B C21B C22B -179.3(6) . . . . ? C3B C2B C21B C22B 1.3(9) . . . . ? C6B C5B C22B C21B 179.2(6) . . . . ? C4B C5B C22B C21B 1.0(9) . . . . ? C6B C5B C22B C9B -2.3(9) . . . . ? C4B C5B C22B C9B 179.5(6) . . . . ? C20B C21B C22B C5B 179.8(6) . . . . ? C2B C21B C22B C5B -1.5(9) . . . . ? C20B C21B C22B C9B 1.3(9) . . . . ? C2B C21B C22B C9B 180.0(6) . . . . ? C10B C9B C22B C5B -178.7(6) . . . . ? C8B C9B C22B C5B 3.3(9) . . . . ? C10B C9B C22B C21B -0.2(9) . . . . ? C8B C9B C22B C21B -178.2(6) . . . . ? C2B C1B C23B C24B -107(27) . . . . ? C18B C1B C23B C24B 72(27) . . . . ? C1B C23B C24B Si1B 47(34) . . . . ? C31B Si1B C24B C23B 66(10) . . . . ? C25B Si1B C24B C23B -177(100) . . . . ? C28B Si1B C24B C23B -53(10) . . . . ? C24B Si1B C25B C27B -172.7(5) . . . . ? C31B Si1B C25B C27B -56.8(6) . . . . ? C28B Si1B C25B C27B 70.6(6) . . . . ? C24B Si1B C25B C26B 58.9(6) . . . . ? C31B Si1B C25B C26B 174.8(5) . . . . ? C28B Si1B C25B C26B -57.7(6) . . . . ? C24B Si1B C28B C29B -59.4(5) . . . . ? C31B Si1B C28B C29B -175.1(5) . . . . ? C25B Si1B C28B C29B 58.0(6) . . . . ? C24B Si1B C28B C30B 172.0(5) . . . . ? C31B Si1B C28B C30B 56.3(6) . . . . ? C25B Si1B C28B C30B -70.6(6) . . . . ? C24B Si1B C31B C33B 64.8(6) . . . . ? C25B Si1B C31B C33B -50.5(6) . . . . ? C28B Si1B C31B C33B 179.0(5) . . . . ? C24B Si1B C31B C32B -60.5(6) . . . . ? C25B Si1B C31B C32B -175.9(5) . . . . ? C28B Si1B C31B C32B 53.7(6) . . . . ? C11B C10B C34B C35B 87(25) . . . . ? C9B C10B C34B C35B -92(25) . . . . ? C10B C34B C35B Si2B -96(26) . . . . ? C36B Si2B C35B C34B -176(5) . . . . ? C39B Si2B C35B C34B -58(5) . . . . ? C42B Si2B C35B C34B 66(5) . . . . ? C35B Si2B C36B C38B -62.3(6) . . . . ? C39B Si2B C36B C38B -177.9(5) . . . . ? C42B Si2B C36B C38B 52.9(6) . . . . ? C35B Si2B C36B C37B 62.2(6) . . . . ? C39B Si2B C36B C37B -53.4(6) . . . . ? C42B Si2B C36B C37B 177.4(5) . . . . ? C35B Si2B C39B C40B 56.6(6) . . . . ? C36B Si2B C39B C40B 173.0(5) . . . . ? C42B Si2B C39B C40B -61.4(6) . . . . ? C35B Si2B C39B C41B -174.9(5) . . . . ? C36B Si2B C39B C41B -58.5(6) . . . . ? C42B Si2B C39B C41B 67.1(6) . . . . ? C35B Si2B C42B C43B 175.2(5) . . . . ? C36B Si2B C42B C43B 59.3(6) . . . . ? C39B Si2B C42B C43B -67.0(6) . . . . ? C35B Si2B C42B C44B -55.2(6) . . . . ? C36B Si2B C42B C44B -171.0(5) . . . . ? C39B Si2B C42B C44B 62.7(6) . . . . ? C12C C1C C2C C11C -177.8(6) . . . . ? C9C C1C C2C C11C -0.2(9) 2_566 . . . ? C12C C1C C2C C3C 3.0(10) . . . . ? C9C C1C C2C C3C -179.5(6) 2_566 . . . ? C1C C2C C3C C4C 179.6(6) . . . . ? C11C C2C C3C C4C 0.4(9) . . . . ? C2C C3C C4C C5C -0.6(10) . . . . ? C3C C4C C5C C6C 178.4(6) . . . . ? C3C C4C C5C C10C 1.7(9) . . . . ? C4C C5C C6C C7C -178.2(6) . . . . ? C10C C5C C6C C7C -1.6(10) . . . . ? C5C C6C C7C C8C 0.1(11) . . . . ? C6C C7C C8C C9C -0.7(10) . . . . ? C7C C8C C9C C10C 2.8(9) . . . . ? C7C C8C C9C C1C -179.8(6) . . . 2_566 ? C8C C9C C10C C11C 179.0(6) . . . . ? C1C C9C C10C C11C 1.5(9) 2_566 . . . ? C8C C9C C10C C5C -4.2(9) . . . . ? C1C C9C C10C C5C 178.3(6) 2_566 . . . ? C6C C5C C10C C11C -179.6(6) . . . . ? C4C C5C C10C C11C -2.8(9) . . . . ? C6C C5C C10C C9C 3.6(9) . . . . ? C4C C5C C10C C9C -179.6(6) . . . . ? C9C C10C C11C C11C -1.7(11) . . . 2_566 ? C5C C10C C11C C11C -178.4(7) . . . 2_566 ? C9C C10C C11C C2C 179.4(6) . . . . ? C5C C10C C11C C2C 2.7(9) . . . . ? C1C C2C C11C C11C 0.4(11) . . . 2_566 ? C3C C2C C11C C11C 179.7(7) . . . 2_566 ? C1C C2C C11C C10C 179.3(6) . . . . ? C3C C2C C11C C10C -1.4(9) . . . . ? C2C C1C C12C C13C 99(57) . . . . ? C9C C1C C12C C13C -79(58) 2_566 . . . ? C1C C12C C13C Si1C 11(67) . . . . ? C20C Si1C C13C C12C -121(12) . . . . ? C14C Si1C C13C C12C -3(12) . . . . ? C17C Si1C C13C C12C 121(12) . . . . ? C13C Si1C C14C C15C 65.5(6) . . . . ? C20C Si1C C14C C15C -178.8(5) . . . . ? C17C Si1C C14C C15C -52.8(6) . . . . ? C13C Si1C C14C C16C -165.8(5) . . . . ? C20C Si1C C14C C16C -50.0(6) . . . . ? C17C Si1C C14C C16C 76.0(6) . . . . ? C13C Si1C C17C C18C -57.0(6) . . . . ? C20C Si1C C17C C18C -173.0(6) . . . . ? C14C Si1C C17C C18C 61.6(6) . . . . ? C13C Si1C C17C C19C 173.1(6) . . . . ? C20C Si1C C17C C19C 57.1(7) . . . . ? C14C Si1C C17C C19C -68.3(7) . . . . ? C13C Si1C C20C C22C 61.1(6) . . . . ? C14C Si1C C20C C22C -54.6(6) . . . . ? C17C Si1C C20C C22C 176.7(6) . . . . ? C13C Si1C C20C C21C -62.3(6) . . . . ? C14C Si1C C20C C21C -178.0(6) . . . . ? C17C Si1C C20C C21C 53.3(7) . . . . ? C12D C1D C2D C11D -179.2(6) . . . . ? C9D C1D C2D C11D -1.3(9) 2_666 . . . ? C12D C1D C2D C3D 3.2(9) . . . . ? C9D C1D C2D C3D -178.9(6) 2_666 . . . ? C1D C2D C3D C4D 179.8(6) . . . . ? C11D C2D C3D C4D 2.1(9) . . . . ? C2D C3D C4D C5D -1.1(10) . . . . ? C3D C4D C5D C6D 178.4(7) . . . . ? C3D C4D C5D C10D 0.7(10) . . . . ? C4D C5D C6D C7D -178.9(6) . . . . ? C10D C5D C6D C7D -1.1(10) . . . . ? C5D C6D C7D C8D -0.1(10) . . . . ? C6D C7D C8D C9D 0.3(10) . . . . ? C7D C8D C9D C10D 0.7(9) . . . . ? C7D C8D C9D C1D 179.3(6) . . . 2_666 ? C8D C9D C10D C11D 179.3(6) . . . . ? C1D C9D C10D C11D 0.7(9) 2_666 . . . ? C8D C9D C10D C5D -2.0(9) . . . . ? C1D C9D C10D C5D 179.4(6) 2_666 . . . ? C6D C5D C10D C9D 2.2(9) . . . . ? C4D C5D C10D C9D -179.9(6) . . . . ? C6D C5D C10D C11D -179.1(6) . . . . ? C4D C5D C10D C11D -1.2(9) . . . . ? C1D C2D C11D C11D 2.7(11) . . . 2_666 ? C3D C2D C11D C11D -179.6(7) . . . 2_666 ? C1D C2D C11D C10D 179.6(6) . . . . ? C3D C2D C11D C10D -2.7(9) . . . . ? C9D C10D C11D C11D -2.1(11) . . . 2_666 ? C5D C10D C11D C11D 179.3(7) . . . 2_666 ? C9D C10D C11D C2D -179.0(6) . . . . ? C5D C10D C11D C2D 2.3(9) . . . . ? C2D C1D C12D C13D 69(64) . . . . ? C9D C1D C12D C13D -109(64) 2_666 . . . ? C1D C12D C13D Si1D -61(68) . . . . ? C14D Si1D C13D C12D 161(8) . . . . ? C17D Si1D C13D C12D -80(8) . . . . ? C20D Si1D C13D C12D 43(8) . . . . ? C13D Si1D C14D C15D -60.5(6) . . . . ? C17D Si1D C14D C15D -177.1(6) . . . . ? C20D Si1D C14D C15D 54.7(7) . . . . ? C13D Si1D C14D C16D 62.1(6) . . . . ? C17D Si1D C14D C16D -54.6(6) . . . . ? C20D Si1D C14D C16D 177.3(6) . . . . ? C13D Si1D C17D C19D 57.0(6) . . . . ? C14D Si1D C17D C19D 174.3(5) . . . . ? C20D Si1D C17D C19D -60.6(6) . . . . ? C13D Si1D C17D C18D -172.2(6) . . . . ? C14D Si1D C17D C18D -55.0(6) . . . . ? C20D Si1D C17D C18D 70.1(6) . . . . ? C13D Si1D C20D C22D -52.9(6) . . . . ? C14D Si1D C20D C22D -169.6(5) . . . . ? C17D Si1D C20D C22D 65.4(6) . . . . ? C13D Si1D C20D C21D 178.6(6) . . . . ? C14D Si1D C20D C21D 61.9(7) . . . . ? C17D Si1D C20D C21D -63.1(7) . . . . ? C9E C1E C2E C3E -178.3(6) 2_655 . . . ? C12E C1E C2E C3E 2.2(9) . . . . ? C9E C1E C2E C11E 2.3(9) 2_655 . . . ? C12E C1E C2E C11E -177.3(6) . . . . ? C11E C2E C3E C4E -0.8(10) . . . . ? C1E C2E C3E C4E 179.8(6) . . . . ? C2E C3E C4E C5E 1.7(10) . . . . ? C3E C4E C5E C6E -2.0(11) . . . . ? C4E C5E C6E C11E 1.4(10) . . . . ? C4E C5E C6E C7E 179.9(6) . . . . ? C5E C6E C7E C8E 179.0(7) . . . . ? C11E C6E C7E C8E -2.4(10) . . . . ? C6E C7E C8E C9E 1.7(10) . . . . ? C7E C8E C9E C1E -179.6(6) . . . 2_655 ? C7E C8E C9E C10E -0.1(9) . . . . ? C1E C9E C10E C10E 0.0(11) 2_655 . . 2_655 ? C8E C9E C10E C10E -179.5(7) . . . 2_655 ? C1E C9E C10E C11E 178.9(6) 2_655 . . . ? C8E C9E C10E C11E -0.7(9) . . . . ? C5E C6E C11E C10E -179.7(6) . . . . ? C7E C6E C11E C10E 1.7(9) . . . . ? C5E C6E C11E C2E -0.5(10) . . . . ? C7E C6E C11E C2E -179.1(6) . . . . ? C10E C10E C11E C6E 178.7(7) 2_655 . . . ? C9E C10E C11E C6E -0.2(9) . . . . ? C10E C10E C11E C2E -0.6(11) 2_655 . . . ? C9E C10E C11E C2E -179.4(6) . . . . ? C3E C2E C11E C6E 0.2(9) . . . . ? C1E C2E C11E C6E 179.6(6) . . . . ? C3E C2E C11E C10E 179.4(6) . . . . ? C1E C2E C11E C10E -1.1(9) . . . . ? C9E C1E C12E C13E -90(20) 2_655 . . . ? C2E C1E C12E C13E 90(20) . . . . ? C1E C12E C13E Si1E -18(41) . . . . ? C14E Si1E C13E C12E 113(24) . . . . ? C17E Si1E C13E C12E -4(25) . . . . ? C20E Si1E C13E C12E -130(24) . . . . ? C13E Si1E C14E C16E -61.4(6) . . . . ? C17E Si1E C14E C16E 52.9(6) . . . . ? C20E Si1E C14E C16E -177.3(5) . . . . ? C13E Si1E C14E C15E 62.7(6) . . . . ? C17E Si1E C14E C15E 177.0(6) . . . . ? C20E Si1E C14E C15E -53.2(6) . . . . ? C13E Si1E C17E C19E -61.9(6) . . . . ? C14E Si1E C17E C19E -176.7(5) . . . . ? C20E Si1E C17E C19E 57.4(6) . . . . ? C13E Si1E C17E C18E 170.7(6) . . . . ? C14E Si1E C17E C18E 55.9(7) . . . . ? C20E Si1E C17E C18E -70.0(7) . . . . ? C13E Si1E C20E C21E -170.3(6) . . . . ? C14E Si1E C20E C21E -54.8(7) . . . . ? C17E Si1E C20E C21E 71.2(7) . . . . ? C13E Si1E C20E C22E 62.6(6) . . . . ? C14E Si1E C20E C22E 178.1(5) . . . . ? C17E Si1E C20E C22E -55.9(6) . . . . ? C9F C1F C2F C3F -178.7(6) 2_755 . . . ? C12F C1F C2F C3F 2.0(9) . . . . ? C9F C1F C2F C11F 1.7(9) 2_755 . . . ? C12F C1F C2F C11F -177.6(6) . . . . ? C11F C2F C3F C4F -0.7(9) . . . . ? C1F C2F C3F C4F 179.7(6) . . . . ? C2F C3F C4F C5F 2.7(10) . . . . ? C3F C4F C5F C6F -4.0(10) . . . . ? C4F C5F C6F C11F 3.2(10) . . . . ? C4F C5F C6F C7F -177.7(6) . . . . ? C5F C6F C7F C8F -179.4(7) . . . . ? C11F C6F C7F C8F -0.4(10) . . . . ? C6F C7F C8F C9F 0.2(10) . . . . ? C7F C8F C9F C1F -179.4(6) . . . 2_755 ? C7F C8F C9F C10F -0.7(10) . . . . ? C1F C9F C10F C10F -1.8(11) 2_755 . . 2_755 ? C8F C9F C10F C10F 179.5(7) . . . 2_755 ? C1F C9F C10F C11F 179.9(6) 2_755 . . . ? C8F C9F C10F C11F 1.2(9) . . . . ? C5F C6F C11F C2F -1.3(9) . . . . ? C7F C6F C11F C2F 179.6(6) . . . . ? C5F C6F C11F C10F 180.0(6) . . . . ? C7F C6F C11F C10F 0.9(9) . . . . ? C3F C2F C11F C6F 0.1(9) . . . . ? C1F C2F C11F C6F 179.7(6) . . . . ? C3F C2F C11F C10F 178.8(6) . . . . ? C1F C2F C11F C10F -1.6(9) . . . . ? C10F C10F C11F C6F -179.6(7) 2_755 . . . ? C9F C10F C11F C6F -1.4(9) . . . . ? C10F C10F C11F C2F 1.7(10) 2_755 . . . ? C9F C10F C11F C2F 179.9(6) . . . . ? C9F C1F C12F C13F -37(24) 2_755 . . . ? C2F C1F C12F C13F 143(24) . . . . ? C1F C12F C13F Si1F 39(31) . . . . ? C20F Si1F C13F C12F -174(10) . . . . ? C17F Si1F C13F C12F 70(10) . . . . ? C14F Si1F C13F C12F -54(10) . . . . ? C13F Si1F C14F C15F 55.5(7) . . . . ? C20F Si1F C14F C15F 173.3(6) . . . . ? C17F Si1F C14F C15F -62.3(7) . . . . ? C13F Si1F C14F C16F -175.5(6) . . . . ? C20F Si1F C14F C16F -57.7(7) . . . . ? C17F Si1F C14F C16F 66.7(7) . . . . ? C13F Si1F C17F C18F -54.1(6) . . . . ? C20F Si1F C17F C18F -171.1(5) . . . . ? C14F Si1F C17F C18F 63.1(6) . . . . ? C13F Si1F C17F C19F 178.3(6) . . . . ? C20F Si1F C17F C19F 61.3(7) . . . . ? C14F Si1F C17F C19F -64.4(7) . . . . ? C13F Si1F C20F C21F -62.2(7) . . . . ? C17F Si1F C20F C21F 53.4(7) . . . . ? C14F Si1F C20F C21F -178.2(6) . . . . ? C13F Si1F C20F C22F 60.3(7) . . . . ? C17F Si1F C20F C22F 175.8(6) . . . . ? C14F Si1F C20F C22F -55.7(7) . . . . ? _diffrn_measured_fraction_theta_max 0.949 _diffrn_reflns_theta_full 69.06 _diffrn_measured_fraction_theta_full 0.949 _refine_diff_density_max 0.539 _refine_diff_density_min -0.484 _refine_diff_density_rms 0.089