# Copyright The Royal Society of Chemistry, 1999 # CCDC Number: 182/1250 data_global # Cif file for publication with Chemical Communications paper # Reference Number: 9/01719D loop_ _publ_author_name _publ_author_address ' Timothy J Ness ' ; Department of Chemistry Monash University Clayton 3168 Victoria AUSTRALIA ; ' Colin L. Raston' ; Department of Chemistry Monash University Clayton 3168 Victoria AUSTRALIA ; _publ_requested_journal ' Chemical Communications ' data_silx _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common [{SiPh2(mu-O)}4]C60(toluene)0.5 _chemical_formula_moiety ? _chemical_formula_sum 'C111.50 H43.50 O4 Si4' _chemical_formula_weight 1559.32 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' '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' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.1145(4) _cell_length_b 19.0653(8) _cell_length_c 19.2258(7) _cell_angle_alpha 82.270(5) _cell_angle_beta 75.960(5) _cell_angle_gamma 78.414(5) _cell_volume 3509.0(2) _cell_formula_units_Z 2 _cell_measurement_temperature 123(1) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description fraqment _exptl_crystal_colour 'deep red' _exptl_crystal_size_max 0.375mm _exptl_crystal_size_mid ? _exptl_crystal_size_min 0.05mm _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.476 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1601 _exptl_absorpt_coefficient_mu 0.153 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 123(1) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type CCD _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22635 _diffrn_reflns_av_R_equivalents 0.065 _diffrn_reflns_av_sigmaI/netI 0.0837 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 2.96 _diffrn_reflns_theta_max 27.33 _reflns_number_total 12344 _reflns_number_gt 7715 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _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 w=1/[\s^2^(Fo^2^)+(0.0510P)^2^+1.6778P] 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 refal _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12344 _refine_ls_number_parameters 1241 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1063 _refine_ls_R_factor_gt 0.0513 _refine_ls_wR_factor_ref 0.1253 _refine_ls_wR_factor_gt 0.1063 _refine_ls_goodness_of_fit_ref 1.012 _refine_ls_restrained_S_all 1.012 _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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C59 C -0.0079(3) 0.09378(17) 0.47245(17) 0.0358(8) Uani 1 d . . . C72 C 0.3563(3) 0.03347(16) 0.44677(17) 0.0344(8) Uani 1 d . . . C77 C -0.1085(3) 0.15143(18) 0.3773(2) 0.0395(9) Uani 1 d . . . C56 C 0.3325(4) 0.08425(17) 0.49983(17) 0.0371(8) Uani 1 d . . . C78 C -0.0795(3) 0.17475(18) 0.3048(2) 0.0400(9) Uani 1 d . . . C74 C 0.2016(3) 0.01102(15) 0.37499(17) 0.0328(8) Uani 1 d . . . C73 C 0.2229(3) 0.01981(16) 0.44171(17) 0.0343(8) Uani 1 d . . . C65 C 0.1366(3) 0.37600(16) 0.39744(18) 0.0357(8) Uani 1 d . . . C92 C 0.3114(3) 0.01474(16) 0.31128(18) 0.0351(8) Uani 1 d . . . C82 C 0.0920(3) 0.35723(16) 0.26190(17) 0.0349(8) Uani 1 d . . . C71 C 0.4617(3) 0.03742(16) 0.38541(18) 0.0353(8) Uani 1 d . . . C76 C -0.0309(3) 0.08444(17) 0.40341(19) 0.0374(8) Uani 1 d . . . C89 C 0.5769(3) 0.11728(19) 0.29891(19) 0.0409(9) Uani 1 d . . . C69 C 0.5227(3) 0.14068(18) 0.42684(19) 0.0396(9) Uani 1 d . . . C57 C 0.1831(4) 0.10230(18) 0.52760(16) 0.0389(8) Uani 1 d . . . C98 C 0.1158(4) 0.30622(17) 0.20892(17) 0.0394(8) Uani 1 d . . . C108 C 0.4545(4) 0.18745(19) 0.18446(17) 0.0420(9) Uani 1 d . . . C79 C -0.0747(3) 0.24992(18) 0.28224(19) 0.0376(8) Uani 1 d . . . C70 C 0.5472(3) 0.09225(18) 0.37499(19) 0.0387(8) Uani 1 d . . . C86 C 0.4784(3) 0.30684(18) 0.3056(2) 0.0411(9) Uani 1 d . . . C75 C 0.0717(3) 0.04415(16) 0.35547(18) 0.0355(8) Uani 1 d . . . C85 C 0.3766(3) 0.34678(16) 0.35349(19) 0.0367(8) Uani 1 d . . . C50 C 0.1231(4) 0.17169(18) 0.54377(16) 0.0407(9) Uani 1 d . . . C91 C 0.4383(3) 0.02818(16) 0.31598(18) 0.0364(8) Uani 1 d . . . C80 C -0.0986(3) 0.29827(17) 0.33338(19) 0.0369(8) Uani 1 d . . . C99 C 0.2656(4) 0.28846(18) 0.18154(16) 0.0404(9) Uani 1 d . . . C105 C 0.3175(4) 0.09770(19) 0.20124(17) 0.0405(9) Uani 1 d . . . C95 C 0.0275(3) 0.13268(18) 0.25484(19) 0.0395(9) Uani 1 d . . . C53 C 0.1302(4) 0.29332(18) 0.50750(17) 0.0396(9) Uani 1 d . . . C88 C 0.5281(3) 0.21685(18) 0.4037(2) 0.0411(9) Uani 1 d . . . C51 C -0.0058(3) 0.20421(18) 0.52447(17) 0.0390(8) Uani 1 d . . . C96 C 0.0987(4) 0.18131(19) 0.20174(17) 0.0420(9) Uani 1 d . . . C64 C 0.0096(3) 0.36266(16) 0.39245(18) 0.0357(8) Uani 1 d . . . C58 C 0.1167(4) 0.06230(17) 0.49098(17) 0.0365(8) Uani 1 d . . . C93 C 0.2503(4) 0.05080(17) 0.25175(18) 0.0371(8) Uani 1 d . . . C67 C 0.3460(4) 0.32263(18) 0.42935(19) 0.0395(8) Uani 1 d . . . C97 C 0.0348(4) 0.25408(18) 0.21889(18) 0.0394(8) Uani 1 d . . . C54 C 0.3496(4) 0.20988(19) 0.50654(17) 0.0400(9) Uani 1 d . . . C61 C -0.1333(3) 0.20203(18) 0.43073(19) 0.0395(9) Uani 1 d . . . C63 C -0.0608(3) 0.31365(17) 0.44574(18) 0.0375(8) Uani 1 d . . . C52 C -0.0020(3) 0.27950(18) 0.50215(17) 0.0398(9) Uani 1 d . . . C103 C 0.5810(3) 0.18929(19) 0.2782(2) 0.0426(9) Uani 1 d . . . C66 C 0.1979(4) 0.34036(17) 0.45701(18) 0.0375(8) Uani 1 d . . . C106 C 0.2403(4) 0.16504(19) 0.17534(16) 0.0410(9) Uani 1 d . . . C87 C 0.5565(3) 0.23946(18) 0.3315(2) 0.0408(9) Uani 1 d . . . C104 C 0.4501(4) 0.11159(19) 0.20639(17) 0.0415(9) Uani 1 d . . . C68 C 0.4207(4) 0.25855(18) 0.45436(19) 0.0407(9) Uani 1 d . . . C100 C 0.3318(3) 0.32887(17) 0.21801(17) 0.0379(8) Uani 1 d . . . C84 C 0.2468(3) 0.38025(15) 0.33349(18) 0.0353(8) Uani 1 d . . . C94 C 0.1017(4) 0.06855(17) 0.27944(19) 0.0384(8) Uani 1 d . . . C83 C 0.2251(3) 0.37102(16) 0.26719(18) 0.0358(8) Uani 1 d . . . C60 C -0.0706(3) 0.16650(18) 0.48949(18) 0.0397(8) Uani 1 d . . . C90 C 0.5090(3) 0.07738(18) 0.26256(18) 0.0376(8) Uani 1 d . . . C49 C 0.2090(4) 0.22590(18) 0.53321(16) 0.0399(9) Uani 1 d . . . C102 C 0.5193(3) 0.22485(19) 0.21929(19) 0.0439(9) Uani 1 d . . . C101 C 0.4555(3) 0.29741(18) 0.23645(19) 0.0411(9) Uani 1 d . . . C55 C 0.4124(4) 0.13664(18) 0.48986(18) 0.0403(9) Uani 1 d . . . C81 C -0.0133(3) 0.35347(16) 0.32294(18) 0.0358(8) Uani 1 d . . . C107 C 0.3245(4) 0.22002(19) 0.16515(16) 0.0433(9) Uani 1 d . . . C62 C -0.1276(3) 0.27366(18) 0.40936(19) 0.0386(8) Uani 1 d . . . Si1 Si 0.40318(8) 0.72238(4) 0.08248(4) 0.02227(19) Uani 1 d . . . Si2 Si 0.35143(8) 0.57081(4) 0.15562(4) 0.02236(19) Uani 1 d . . . Si3 Si 0.23577(8) 0.79174(4) 0.22906(4) 0.02213(19) Uani 1 d . . . Si4 Si 0.16675(8) 0.64169(4) 0.29858(4) 0.0233(2) Uani 1 d . . . O1 O 0.31279(19) 0.76503(10) 0.15090(10) 0.0254(5) Uani 1 d . . . O2 O 0.26641(19) 0.59950(10) 0.23206(10) 0.0275(5) Uani 1 d . . . O3 O 0.38406(19) 0.63886(10) 0.09738(10) 0.0261(5) Uani 1 d . . . O4 O 0.17521(19) 0.72695(10) 0.28333(10) 0.0257(5) Uani 1 d . . . C13 C 0.3287(3) 0.76417(15) 0.00434(14) 0.0235(7) Uani 1 d . . . C1 C -0.0123(3) 0.62786(15) 0.30591(14) 0.0237(7) Uani 1 d . . . C25 C 0.2302(3) 0.60584(15) 0.38200(15) 0.0257(7) Uani 1 d . . . C19 C 0.2486(3) 0.52057(15) 0.11913(15) 0.0253(7) Uani 1 d . . . C43 C 0.5143(3) 0.51214(15) 0.16872(15) 0.0248(7) Uani 1 d . . . C14 C 0.2680(3) 0.72578(18) -0.03223(16) 0.0301(7) Uani 1 d . . . C26 C 0.1767(3) 0.55037(16) 0.42901(16) 0.0312(7) Uani 1 d . . . C7 C 0.0870(3) 0.86377(15) 0.21819(15) 0.0250(7) Uani 1 d . . . C37 C 0.5887(3) 0.72644(15) 0.07300(15) 0.0252(7) Uani 1 d . . . C44 C 0.6155(3) 0.48956(17) 0.10891(19) 0.0321(8) Uani 1 d . . . C12 C 0.0041(3) 0.90014(17) 0.27489(18) 0.0330(8) Uani 1 d . . . C48 C 0.5344(3) 0.48357(16) 0.23729(17) 0.0288(7) Uani 1 d . . . C31 C 0.3650(3) 0.82104(14) 0.26828(15) 0.0232(7) Uani 1 d . . . C18 C 0.3165(3) 0.83840(17) -0.01410(16) 0.0311(7) Uani 1 d . . . C36 C 0.4889(3) 0.83692(16) 0.22579(17) 0.0289(7) Uani 1 d . . . C2 C -0.1272(3) 0.68312(17) 0.31574(16) 0.0306(7) Uani 1 d . . . C30 C 0.3355(3) 0.63242(19) 0.39922(18) 0.0319(8) Uani 1 d . . . C23 C 0.2290(3) 0.42011(17) 0.05848(16) 0.0313(7) Uani 1 d . . . C6 C -0.0364(3) 0.55906(17) 0.30232(17) 0.0308(7) Uani 1 d . . . C20 C 0.1090(3) 0.54681(17) 0.12095(17) 0.0325(8) Uani 1 d . . . C24 C 0.3074(3) 0.45614(16) 0.08703(16) 0.0276(7) Uani 1 d . . . C15 C 0.1959(3) 0.75963(19) -0.08376(17) 0.0374(8) Uani 1 d . . . C39 C 0.7955(3) 0.6902(2) 0.12120(19) 0.0402(9) Uani 1 d . . . C38 C 0.6585(3) 0.68732(18) 0.12487(18) 0.0324(8) Uani 1 d . . . C34 C 0.5619(3) 0.85896(16) 0.32962(18) 0.0311(8) Uani 1 d . . . C41 C 0.8024(4) 0.7683(2) 0.0136(2) 0.0433(9) Uani 1 d . . . C5 C -0.1679(3) 0.54543(18) 0.30828(18) 0.0345(8) Uani 1 d . . . C17 C 0.2439(3) 0.87297(19) -0.06531(17) 0.0367(8) Uani 1 d . . . C33 C 0.4392(3) 0.84377(16) 0.37267(17) 0.0308(7) Uani 1 d . . . C16 C 0.1826(3) 0.83335(19) -0.09992(17) 0.0354(8) Uani 1 d . . . C47 C 0.6539(4) 0.43431(18) 0.2443(2) 0.0389(9) Uani 1 d . . . C42 C 0.6642(3) 0.76677(18) 0.01789(17) 0.0326(8) Uani 1 d . . . C28 C 0.3309(4) 0.55081(19) 0.50555(19) 0.0374(8) Uani 1 d . . . C32 C 0.3415(3) 0.82462(16) 0.34265(16) 0.0277(7) Uani 1 d . . . C3 C -0.2598(3) 0.66940(18) 0.32239(18) 0.0355(8) Uani 1 d . . . C4 C -0.2799(3) 0.60101(18) 0.31843(18) 0.0352(8) Uani 1 d . . . C46 C 0.7513(4) 0.41280(18) 0.1842(2) 0.0441(9) Uani 1 d . . . C29 C 0.3859(3) 0.60548(19) 0.46008(18) 0.0367(8) Uani 1 d . . . C35 C 0.5880(3) 0.85554(16) 0.25618(18) 0.0312(7) Uani 1 d . . . C27 C 0.2272(4) 0.52298(18) 0.49004(17) 0.0343(8) Uani 1 d . . . C11 C -0.1087(3) 0.95249(17) 0.26744(19) 0.0349(8) Uani 1 d . . . C22 C 0.0911(4) 0.44690(18) 0.06251(18) 0.0382(8) Uani 1 d . . . C45 C 0.7325(3) 0.43999(19) 0.1163(2) 0.0418(9) Uani 1 d . . . C21 C 0.0301(4) 0.51045(19) 0.09378(19) 0.0425(9) Uani 1 d . . . C40 C 0.8677(4) 0.7302(2) 0.0654(2) 0.0447(9) Uani 1 d . . . C10 C -0.1413(4) 0.9707(2) 0.2021(2) 0.0456(9) Uani 1 d . . . C8 C 0.0494(5) 0.8819(3) 0.1531(2) 0.0748(16) Uani 1 d . . . C9 C -0.0635(5) 0.9346(3) 0.1450(2) 0.091(2) Uani 1 d . . . C200 C 0.3566(5) 1.0180(2) 0.0267(2) 0.0589(11) Uani 1 d . . . C202 C 0.5826(5) 0.9610(2) 0.0442(2) 0.0599(11) Uani 1 d . . . H202 H 0.6380 0.9347 0.0742 0.072 Uiso 1 calc R . . C203 C 0.2035(9) 1.0339(4) 0.0533(4) 0.063(2) Uani 0.50 d P . . H20A H 0.1797 1.0158 0.1029 0.095 Uiso 0.50 calc PR . . H20B H 0.1601 1.0113 0.0253 0.095 Uiso 0.50 calc PR . . H20C H 0.1722 1.0850 0.0488 0.095 Uiso 0.50 calc PR . . C201 C 0.4417(5) 0.9786(2) 0.0706(2) 0.0602(12) Uani 1 d . . . H201 H 0.4032 0.9640 0.1180 0.072 Uiso 1 calc R . . H24 H 0.407(3) 0.4352(15) 0.0844(15) 0.032(8) Uiso 1 d . . . H42 H 0.623(3) 0.7912(15) -0.0176(16) 0.029(8) Uiso 1 d . . . H48 H 0.460(3) 0.5019(15) 0.2824(15) 0.030(8) Uiso 1 d . . . H14 H 0.273(3) 0.6719(15) -0.0184(15) 0.027(8) Uiso 1 d . . . H30 H 0.374(3) 0.6670(15) 0.3677(15) 0.021(8) Uiso 1 d . . . H15 H 0.152(3) 0.7322(16) -0.1103(17) 0.045(9) Uiso 1 d . . . H32 H 0.252(3) 0.8123(15) 0.3740(15) 0.029(8) Uiso 1 d . . . H23 H 0.276(3) 0.3732(17) 0.0331(17) 0.047(9) Uiso 1 d . . . H33 H 0.422(3) 0.8466(15) 0.4237(16) 0.029(8) Uiso 1 d . . . H2 H -0.112(3) 0.7322(16) 0.3161(15) 0.030(8) Uiso 1 d . . . H36 H 0.505(3) 0.8350(14) 0.1755(15) 0.022(7) Uiso 1 d . . . H20 H 0.063(3) 0.5925(17) 0.1467(17) 0.046(9) Uiso 1 d . . . H18 H 0.357(3) 0.8679(17) 0.0102(17) 0.045(9) Uiso 1 d . . . H3 H -0.339(3) 0.7075(16) 0.3263(16) 0.039(9) Uiso 1 d . . . H22 H 0.032(3) 0.4172(16) 0.0419(16) 0.036(8) Uiso 1 d . . . H5 H -0.182(3) 0.4973(16) 0.3052(15) 0.033(8) Uiso 1 d . . . H21 H -0.068(3) 0.5314(16) 0.0979(16) 0.040(9) Uiso 1 d . . . H47 H 0.661(4) 0.4147(18) 0.2926(19) 0.052(10) Uiso 1 d . . . H44 H 0.601(4) 0.5098(19) 0.061(2) 0.061(11) Uiso 1 d . . . H46 H 0.841(4) 0.3751(18) 0.1903(17) 0.052(10) Uiso 1 d . . . H11 H -0.163(3) 0.9763(16) 0.3072(17) 0.040(9) Uiso 1 d . . . H4 H -0.370(3) 0.5912(16) 0.3239(16) 0.042(9) Uiso 1 d . . . H38 H 0.608(3) 0.6549(16) 0.1618(16) 0.033(9) Uiso 1 d . . . H26 H 0.098(3) 0.5302(17) 0.4208(17) 0.048(10) Uiso 1 d . . . H35 H 0.675(3) 0.8687(16) 0.2230(17) 0.039(9) Uiso 1 d . . . H29 H 0.456(4) 0.6235(17) 0.4723(17) 0.046(10) Uiso 1 d . . . H6 H 0.038(3) 0.5230(15) 0.2941(15) 0.025(8) Uiso 1 d . . . H17 H 0.237(3) 0.9265(18) -0.0768(17) 0.046(10) Uiso 1 d . . . H16 H 0.128(3) 0.8592(17) -0.1367(17) 0.045(9) Uiso 1 d . . . H12 H 0.028(4) 0.8904(18) 0.3228(19) 0.057(11) Uiso 1 d . . . H40 H 0.966(4) 0.7307(19) 0.062(2) 0.068(12) Uiso 1 d . . . H34 H 0.632(3) 0.8743(15) 0.3474(16) 0.035(8) Uiso 1 d . . . H41 H 0.851(4) 0.7959(18) -0.0244(19) 0.055(11) Uiso 1 d . . . H28 H 0.365(3) 0.5298(17) 0.5449(18) 0.046(10) Uiso 1 d . . . H39 H 0.841(4) 0.6615(18) 0.1579(18) 0.052(10) Uiso 1 d . . . H8 H 0.098(4) 0.863(2) 0.115(2) 0.069(13) Uiso 1 d . . . H27 H 0.187(3) 0.4864(18) 0.5221(18) 0.048(10) Uiso 1 d . . . H45 H 0.803(4) 0.4208(18) 0.0723(19) 0.056(10) Uiso 1 d . . . H10 H -0.225(4) 1.0059(18) 0.2012(17) 0.048(10) Uiso 1 d . . . H9 H -0.089(4) 0.943(2) 0.101(2) 0.089(15) Uiso 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C59 0.032(2) 0.0341(19) 0.0383(19) 0.0065(16) 0.0028(15) -0.0185(15) C72 0.044(2) 0.0220(17) 0.0377(19) 0.0075(15) -0.0226(17) 0.0023(15) C77 0.0197(18) 0.041(2) 0.060(2) -0.0012(19) -0.0133(16) -0.0077(15) C56 0.047(2) 0.0322(19) 0.0333(19) 0.0058(16) -0.0218(16) -0.0010(16) C78 0.0259(19) 0.045(2) 0.058(2) -0.0049(19) -0.0265(17) -0.0057(16) C74 0.042(2) 0.0159(15) 0.043(2) -0.0002(15) -0.0137(16) -0.0078(14) C73 0.044(2) 0.0207(16) 0.0376(19) 0.0072(15) -0.0128(16) -0.0057(15) C65 0.040(2) 0.0216(17) 0.047(2) -0.0088(16) -0.0131(17) 0.0004(15) C92 0.043(2) 0.0187(16) 0.044(2) -0.0117(15) -0.0121(17) 0.0031(14) C82 0.038(2) 0.0240(17) 0.041(2) 0.0108(15) -0.0178(16) 0.0016(14) C71 0.0320(19) 0.0257(17) 0.045(2) 0.0024(16) -0.0180(16) 0.0095(14) C76 0.0288(19) 0.0344(19) 0.052(2) 0.0020(17) -0.0083(16) -0.0165(15) C89 0.0139(17) 0.046(2) 0.054(2) -0.0082(19) 0.0024(15) 0.0057(15) C69 0.0257(19) 0.043(2) 0.057(2) -0.0036(19) -0.0276(17) -0.0002(15) C57 0.057(2) 0.038(2) 0.0186(16) 0.0100(15) -0.0092(16) -0.0092(17) C98 0.051(2) 0.0352(19) 0.0324(19) 0.0070(16) -0.0239(17) 0.0019(17) C108 0.040(2) 0.048(2) 0.0245(18) 0.0000(17) 0.0119(15) -0.0033(17) C79 0.0253(18) 0.038(2) 0.053(2) -0.0013(18) -0.0258(17) 0.0043(15) C70 0.0184(17) 0.039(2) 0.056(2) 0.0019(18) -0.0166(16) 0.0070(15) C86 0.0298(19) 0.038(2) 0.058(2) 0.0036(18) -0.0089(17) -0.0171(16) C75 0.036(2) 0.0254(17) 0.051(2) -0.0043(16) -0.0150(17) -0.0120(15) C85 0.033(2) 0.0261(18) 0.056(2) 0.0012(17) -0.0126(17) -0.0170(15) C50 0.056(2) 0.042(2) 0.0194(17) 0.0003(16) -0.0028(16) -0.0078(18) C91 0.0321(19) 0.0274(18) 0.043(2) -0.0083(16) -0.0066(16) 0.0114(15) C80 0.0172(17) 0.0374(19) 0.054(2) -0.0001(18) -0.0172(15) 0.0086(14) C99 0.053(2) 0.040(2) 0.0223(17) 0.0090(16) -0.0058(16) -0.0050(17) C105 0.051(2) 0.044(2) 0.0256(18) -0.0175(17) -0.0077(16) 0.0003(18) C95 0.040(2) 0.042(2) 0.048(2) -0.0102(18) -0.0304(18) -0.0069(17) C53 0.048(2) 0.042(2) 0.0302(18) -0.0191(17) -0.0049(16) -0.0056(17) C88 0.0247(19) 0.044(2) 0.064(2) -0.0074(19) -0.0246(17) -0.0067(16) C51 0.038(2) 0.043(2) 0.0248(17) -0.0049(16) 0.0117(15) -0.0048(17) C96 0.055(2) 0.050(2) 0.0308(19) -0.0089(18) -0.0259(18) -0.0059(19) C64 0.0323(19) 0.0252(17) 0.044(2) -0.0100(16) -0.0048(16) 0.0081(14) C58 0.045(2) 0.0277(18) 0.0330(19) 0.0093(15) -0.0013(16) -0.0154(16) C93 0.052(2) 0.0273(18) 0.0356(19) -0.0194(17) -0.0129(17) 0.0002(16) C67 0.044(2) 0.0344(19) 0.050(2) -0.0112(17) -0.0204(18) -0.0111(16) C97 0.044(2) 0.042(2) 0.038(2) 0.0004(17) -0.0292(17) 0.0003(17) C54 0.052(2) 0.047(2) 0.0316(19) -0.0095(17) -0.0262(17) -0.0076(18) C61 0.0152(17) 0.043(2) 0.053(2) -0.0036(19) 0.0061(15) -0.0074(15) C63 0.0272(18) 0.0315(19) 0.045(2) -0.0132(17) 0.0030(16) 0.0081(15) C52 0.039(2) 0.042(2) 0.0315(19) -0.0153(17) 0.0074(16) -0.0016(16) C103 0.0160(17) 0.046(2) 0.058(2) 0.0023(19) 0.0004(16) -0.0029(15) C66 0.047(2) 0.0293(18) 0.040(2) -0.0157(17) -0.0119(17) -0.0048(16) C106 0.059(2) 0.048(2) 0.0182(16) -0.0058(16) -0.0158(16) -0.0026(19) C87 0.0178(17) 0.045(2) 0.062(2) -0.001(2) -0.0116(16) -0.0116(15) C104 0.040(2) 0.046(2) 0.0291(18) -0.0138(17) 0.0079(16) 0.0024(17) C68 0.046(2) 0.040(2) 0.049(2) -0.0090(18) -0.0289(18) -0.0108(17) C100 0.039(2) 0.0329(19) 0.0347(19) 0.0138(16) -0.0021(16) -0.0085(16) C84 0.040(2) 0.0181(16) 0.049(2) 0.0003(16) -0.0110(17) -0.0094(14) C94 0.045(2) 0.0322(19) 0.049(2) -0.0120(17) -0.0233(17) -0.0094(16) C83 0.040(2) 0.0225(17) 0.041(2) 0.0102(15) -0.0076(16) -0.0051(15) C60 0.0288(19) 0.043(2) 0.039(2) -0.0012(17) 0.0099(16) -0.0083(16) C90 0.0254(18) 0.039(2) 0.039(2) -0.0122(17) 0.0024(15) 0.0096(15) C49 0.062(3) 0.042(2) 0.0194(17) -0.0071(16) -0.0138(16) -0.0093(19) C102 0.0276(19) 0.051(2) 0.041(2) 0.0061(18) 0.0125(16) -0.0091(17) C101 0.032(2) 0.038(2) 0.045(2) 0.0087(17) 0.0073(16) -0.0153(16) C55 0.046(2) 0.044(2) 0.039(2) 0.0030(17) -0.0322(18) -0.0039(17) C81 0.0295(19) 0.0257(17) 0.049(2) -0.0016(16) -0.0162(17) 0.0098(14) C107 0.056(2) 0.048(2) 0.0192(17) -0.0005(16) -0.0012(16) -0.0044(19) C62 0.0131(16) 0.040(2) 0.056(2) -0.0067(18) -0.0007(15) 0.0038(14) Si1 0.0236(5) 0.0233(4) 0.0198(4) -0.0027(4) -0.0059(3) -0.0020(3) Si2 0.0220(4) 0.0228(4) 0.0222(4) -0.0028(4) -0.0059(3) -0.0021(3) Si3 0.0212(4) 0.0237(4) 0.0215(4) -0.0036(4) -0.0053(3) -0.0022(3) Si4 0.0225(5) 0.0248(4) 0.0216(4) -0.0026(4) -0.0037(3) -0.0030(3) O1 0.0258(11) 0.0277(11) 0.0226(11) -0.0039(9) -0.0063(9) -0.0022(9) O2 0.0268(12) 0.0285(11) 0.0274(11) -0.0061(9) -0.0048(9) -0.0046(9) O3 0.0285(11) 0.0257(11) 0.0252(11) -0.0031(9) -0.0081(9) -0.0041(9) O4 0.0249(11) 0.0266(11) 0.0252(11) -0.0054(9) -0.0041(9) -0.0035(9) C13 0.0211(16) 0.0302(17) 0.0179(15) -0.0038(13) -0.0030(12) -0.0021(13) C1 0.0247(16) 0.0263(16) 0.0192(15) -0.0019(13) -0.0038(12) -0.0034(13) C25 0.0225(16) 0.0269(16) 0.0246(16) -0.0075(14) -0.0018(13) 0.0019(13) C19 0.0286(17) 0.0257(16) 0.0209(15) 0.0021(13) -0.0070(13) -0.0037(13) C43 0.0246(17) 0.0233(16) 0.0282(17) -0.0030(14) -0.0071(13) -0.0060(13) C14 0.0319(19) 0.0328(19) 0.0275(17) 0.0018(15) -0.0090(14) -0.0104(15) C26 0.037(2) 0.0265(17) 0.0291(18) -0.0050(15) -0.0065(15) -0.0023(15) C7 0.0223(16) 0.0259(16) 0.0273(16) -0.0025(14) -0.0065(13) -0.0039(13) C37 0.0262(17) 0.0261(16) 0.0223(16) -0.0069(14) -0.0043(13) -0.0008(13) C44 0.0257(18) 0.0329(18) 0.038(2) -0.0053(16) -0.0054(15) -0.0058(14) C12 0.0317(19) 0.0357(19) 0.0314(18) -0.0096(16) -0.0110(15) 0.0039(15) C48 0.0273(18) 0.0277(17) 0.0347(18) 0.0011(15) -0.0104(15) -0.0109(14) C31 0.0245(17) 0.0177(15) 0.0279(16) -0.0026(13) -0.0075(13) -0.0023(12) C18 0.0343(19) 0.0330(19) 0.0269(17) -0.0049(15) -0.0095(15) -0.0027(15) C36 0.0295(18) 0.0305(18) 0.0264(18) -0.0043(15) -0.0050(14) -0.0048(14) C2 0.0321(19) 0.0284(18) 0.0309(18) -0.0036(15) -0.0076(14) -0.0032(15) C30 0.0257(18) 0.038(2) 0.0294(18) 0.0014(16) -0.0024(15) -0.0061(15) C23 0.041(2) 0.0293(18) 0.0249(17) -0.0008(15) -0.0085(15) -0.0085(15) C6 0.0241(18) 0.0256(18) 0.0409(19) -0.0044(16) -0.0085(15) 0.0026(14) C20 0.0301(19) 0.0343(19) 0.0361(18) -0.0071(16) -0.0131(15) -0.0031(15) C24 0.0338(19) 0.0245(17) 0.0250(16) 0.0003(14) -0.0075(14) -0.0067(14) C15 0.035(2) 0.051(2) 0.0323(19) -0.0038(17) -0.0146(16) -0.0142(17) C39 0.027(2) 0.053(2) 0.039(2) -0.0016(18) -0.0120(16) 0.0023(17) C38 0.0249(18) 0.0365(19) 0.0339(18) -0.0028(16) -0.0067(15) -0.0009(15) C34 0.0286(19) 0.0247(17) 0.045(2) -0.0050(15) -0.0200(16) -0.0012(14) C41 0.031(2) 0.061(2) 0.038(2) 0.0033(19) -0.0024(17) -0.0195(18) C5 0.0303(19) 0.0286(19) 0.047(2) -0.0037(16) -0.0109(15) -0.0069(15) C17 0.039(2) 0.035(2) 0.0309(18) 0.0000(16) -0.0092(16) 0.0056(16) C33 0.038(2) 0.0287(18) 0.0283(18) -0.0033(15) -0.0143(15) -0.0031(15) C16 0.0245(18) 0.053(2) 0.0263(17) 0.0009(17) -0.0102(14) 0.0025(16) C47 0.035(2) 0.0331(19) 0.056(2) 0.0116(18) -0.0267(19) -0.0131(16) C42 0.032(2) 0.043(2) 0.0255(17) -0.0004(16) -0.0096(15) -0.0095(16) C28 0.034(2) 0.043(2) 0.0283(18) -0.0025(17) -0.0091(16) 0.0116(17) C32 0.0258(18) 0.0317(18) 0.0256(17) -0.0036(14) -0.0089(14) -0.0003(14) C3 0.0238(19) 0.036(2) 0.045(2) -0.0068(17) -0.0095(15) 0.0043(15) C4 0.0221(18) 0.044(2) 0.041(2) -0.0050(17) -0.0062(15) -0.0107(16) C46 0.0243(19) 0.0307(19) 0.080(3) -0.004(2) -0.021(2) -0.0005(15) C29 0.0234(18) 0.050(2) 0.036(2) -0.0028(18) -0.0115(15) -0.0010(16) C35 0.0270(18) 0.0290(18) 0.039(2) -0.0058(16) -0.0076(15) -0.0056(14) C27 0.039(2) 0.0296(19) 0.0283(18) 0.0023(16) -0.0040(16) -0.0005(16) C11 0.0281(19) 0.0341(19) 0.041(2) -0.0121(17) -0.0071(16) 0.0025(15) C22 0.040(2) 0.042(2) 0.0383(19) -0.0032(17) -0.0150(16) -0.0137(17) C45 0.0227(19) 0.044(2) 0.060(2) -0.015(2) -0.0075(18) -0.0033(16) C21 0.034(2) 0.046(2) 0.052(2) -0.0097(19) -0.0182(18) -0.0040(17) C40 0.026(2) 0.063(3) 0.046(2) -0.005(2) -0.0095(17) -0.0087(18) C10 0.029(2) 0.047(2) 0.048(2) 0.0020(19) -0.0033(17) 0.0134(17) C8 0.068(3) 0.104(4) 0.027(2) -0.012(2) -0.011(2) 0.048(3) C9 0.073(3) 0.135(5) 0.035(2) -0.002(3) -0.019(2) 0.058(3) C200 0.083(3) 0.037(2) 0.059(3) -0.014(2) -0.012(3) -0.013(2) C202 0.094(4) 0.035(2) 0.055(3) -0.012(2) -0.026(2) -0.005(2) C203 0.093(7) 0.042(5) 0.061(5) -0.011(4) -0.022(5) -0.014(4) C201 0.097(4) 0.037(2) 0.047(2) -0.011(2) -0.012(3) -0.011(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C59 C58 1.390(5) . ? C59 C76 1.441(5) . ? C59 C60 1.449(4) . ? C72 C71 1.390(5) . ? C72 C56 1.445(4) . ? C72 C73 1.452(4) . ? C77 C78 1.383(5) . ? C77 C61 1.448(5) . ? C77 C76 1.455(5) . ? C56 C55 1.373(5) . ? C56 C57 1.461(5) . ? C78 C95 1.446(5) . ? C78 C79 1.447(5) . ? C74 C73 1.388(4) . ? C74 C92 1.444(5) . ? C74 C75 1.452(4) . ? C73 C58 1.439(4) . ? C65 C64 1.386(4) . ? C65 C84 1.451(5) . ? C65 C66 1.457(5) . ? C92 C91 1.384(5) . ? C92 C93 1.458(5) . ? C82 C81 1.385(4) . ? C82 C98 1.447(4) . ? C82 C83 1.452(4) . ? C71 C70 1.450(5) . ? C71 C91 1.450(4) . ? C76 C75 1.387(4) . ? C89 C103 1.383(5) . ? C89 C70 1.454(5) . ? C89 C90 1.458(5) . ? C69 C70 1.394(5) . ? C69 C55 1.440(5) . ? C69 C88 1.468(5) . ? C57 C50 1.383(4) . ? C57 C58 1.452(4) . ? C98 C97 1.377(5) . ? C98 C99 1.463(5) . ? C108 C102 1.384(5) . ? C108 C107 1.449(5) . ? C108 C104 1.457(5) . ? C79 C80 1.383(4) . ? C79 C97 1.439(5) . ? C86 C85 1.379(5) . ? C86 C101 1.444(5) . ? C86 C87 1.460(5) . ? C75 C94 1.450(5) . ? C85 C67 1.447(5) . ? C85 C84 1.457(4) . ? C50 C51 1.439(5) . ? C50 C49 1.443(5) . ? C91 C90 1.449(5) . ? C80 C62 1.450(5) . ? C80 C81 1.454(5) . ? C99 C107 1.365(5) . ? C99 C100 1.454(5) . ? C105 C93 1.377(5) . ? C105 C104 1.446(5) . ? C105 C106 1.456(5) . ? C95 C94 1.389(5) . ? C95 C96 1.441(5) . ? C53 C66 1.380(5) . ? C53 C52 1.444(5) . ? C53 C49 1.463(5) . ? C88 C87 1.376(5) . ? C88 C68 1.452(5) . ? C51 C60 1.390(5) . ? C51 C52 1.447(5) . ? C96 C106 1.384(5) . ? C96 C97 1.453(5) . ? C64 C63 1.444(5) . ? C64 C81 1.449(4) . ? C93 C94 1.453(5) . ? C67 C68 1.393(5) . ? C67 C66 1.450(5) . ? C54 C49 1.376(5) . ? C54 C68 1.432(5) . ? C54 C55 1.457(5) . ? C61 C62 1.381(5) . ? C61 C60 1.451(5) . ? C63 C52 1.386(5) . ? C63 C62 1.452(4) . ? C103 C87 1.439(5) . ? C103 C102 1.449(5) . ? C106 C107 1.444(5) . ? C104 C90 1.383(5) . ? C100 C101 1.381(5) . ? C100 C83 1.437(4) . ? C84 C83 1.384(4) . ? C102 C101 1.449(5) . ? Si1 O3 1.621(2) . ? Si1 O1 1.6227(19) . ? Si1 C13 1.856(3) . ? Si1 C37 1.858(3) . ? Si2 O2 1.6164(19) . ? Si2 O3 1.627(2) . ? Si2 C43 1.847(3) . ? Si2 C19 1.851(3) . ? Si3 O1 1.6133(19) . ? Si3 O4 1.624(2) . ? Si3 C7 1.855(3) . ? Si3 C31 1.864(3) . ? Si4 O2 1.6199(19) . ? Si4 O4 1.628(2) . ? Si4 C1 1.851(3) . ? Si4 C25 1.865(3) . ? C13 C14 1.392(4) . ? C13 C18 1.400(4) . ? C1 C6 1.395(4) . ? C1 C2 1.397(4) . ? C25 C30 1.391(4) . ? C25 C26 1.401(4) . ? C19 C20 1.394(4) . ? C19 C24 1.406(4) . ? C43 C44 1.393(4) . ? C43 C48 1.403(4) . ? C14 C15 1.385(4) . ? C26 C27 1.389(4) . ? C7 C8 1.376(5) . ? C7 C12 1.378(4) . ? C37 C42 1.386(4) . ? C37 C38 1.407(4) . ? C44 C45 1.383(5) . ? C12 C11 1.379(4) . ? C48 C47 1.396(4) . ? C31 C36 1.385(4) . ? C31 C32 1.400(4) . ? C18 C17 1.387(4) . ? C36 C35 1.398(4) . ? C2 C3 1.390(4) . ? C30 C29 1.384(4) . ? C23 C22 1.373(4) . ? C23 C24 1.391(4) . ? C6 C5 1.382(4) . ? C20 C21 1.383(4) . ? C15 C16 1.385(5) . ? C39 C40 1.375(5) . ? C39 C38 1.382(5) . ? C34 C33 1.375(4) . ? C34 C35 1.380(4) . ? C41 C40 1.375(5) . ? C41 C42 1.386(5) . ? C5 C4 1.382(4) . ? C17 C16 1.386(5) . ? C33 C32 1.386(4) . ? C47 C46 1.373(5) . ? C28 C27 1.374(5) . ? C28 C29 1.383(5) . ? C3 C4 1.374(4) . ? C46 C45 1.380(5) . ? C11 C10 1.358(5) . ? C22 C21 1.388(5) . ? C10 C9 1.366(5) . ? C8 C9 1.386(5) . ? C200 C201 1.393(6) . ? C200 C202 1.393(6) 2_675 ? C200 C203 1.489(9) . ? C202 C201 1.380(6) . ? C202 C200 1.393(6) 2_675 ? 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 C58 C59 C76 120.0(3) . . ? C58 C59 C60 119.8(3) . . ? C76 C59 C60 108.0(3) . . ? C71 C72 C56 119.7(3) . . ? C71 C72 C73 120.3(3) . . ? C56 C72 C73 108.1(3) . . ? C78 C77 C61 120.1(3) . . ? C78 C77 C76 119.9(3) . . ? C61 C77 C76 107.8(3) . . ? C55 C56 C72 120.6(3) . . ? C55 C56 C57 119.5(3) . . ? C72 C56 C57 107.7(3) . . ? C77 C78 C95 120.2(3) . . ? C77 C78 C79 120.0(3) . . ? C95 C78 C79 107.8(3) . . ? C73 C74 C92 120.4(3) . . ? C73 C74 C75 119.9(3) . . ? C92 C74 C75 108.1(3) . . ? C74 C73 C58 119.9(3) . . ? C74 C73 C72 119.3(3) . . ? C58 C73 C72 108.2(3) . . ? C64 C65 C84 120.3(3) . . ? C64 C65 C66 119.4(3) . . ? C84 C65 C66 108.3(3) . . ? C91 C92 C74 120.3(3) . . ? C91 C92 C93 118.9(3) . . ? C74 C92 C93 108.3(3) . . ? C81 C82 C98 119.6(3) . . ? C81 C82 C83 120.2(3) . . ? C98 C82 C83 108.3(3) . . ? C72 C71 C70 120.0(3) . . ? C72 C71 C91 119.9(3) . . ? C70 C71 C91 108.1(3) . . ? C75 C76 C59 119.9(3) . . ? C75 C76 C77 119.8(3) . . ? C59 C76 C77 108.2(3) . . ? C103 C89 C70 119.7(3) . . ? C103 C89 C90 120.4(3) . . ? C70 C89 C90 107.5(3) . . ? C70 C69 C55 120.1(3) . . ? C70 C69 C88 119.3(3) . . ? C55 C69 C88 108.2(3) . . ? C50 C57 C58 120.2(3) . . ? C50 C57 C56 120.0(3) . . ? C58 C57 C56 107.7(3) . . ? C97 C98 C82 120.5(3) . . ? C97 C98 C99 120.3(3) . . ? C82 C98 C99 107.3(3) . . ? C102 C108 C107 120.8(3) . . ? C102 C108 C104 119.9(3) . . ? C107 C108 C104 107.7(3) . . ? C80 C79 C97 120.0(3) . . ? C80 C79 C78 119.8(3) . . ? C97 C79 C78 108.0(3) . . ? C69 C70 C71 119.5(3) . . ? C69 C70 C89 120.1(3) . . ? C71 C70 C89 108.2(3) . . ? C85 C86 C101 120.1(3) . . ? C85 C86 C87 119.9(3) . . ? C101 C86 C87 107.9(3) . . ? C76 C75 C94 120.2(3) . . ? C76 C75 C74 120.1(3) . . ? C94 C75 C74 108.0(3) . . ? C86 C85 C67 120.7(3) . . ? C86 C85 C84 119.7(3) . . ? C67 C85 C84 108.1(3) . . ? C57 C50 C51 119.8(3) . . ? C57 C50 C49 119.6(3) . . ? C51 C50 C49 108.6(3) . . ? C92 C91 C90 120.4(3) . . ? C92 C91 C71 119.8(3) . . ? C90 C91 C71 108.0(3) . . ? C79 C80 C62 120.1(3) . . ? C79 C80 C81 120.0(3) . . ? C62 C80 C81 107.8(3) . . ? C107 C99 C100 120.7(3) . . ? C107 C99 C98 119.6(3) . . ? C100 C99 C98 108.1(3) . . ? C93 C105 C104 120.4(3) . . ? C93 C105 C106 120.2(3) . . ? C104 C105 C106 107.5(3) . . ? C94 C95 C96 119.6(3) . . ? C94 C95 C78 120.1(3) . . ? C96 C95 C78 108.3(3) . . ? C66 C53 C52 120.4(3) . . ? C66 C53 C49 119.7(3) . . ? C52 C53 C49 108.0(3) . . ? C87 C88 C68 120.9(3) . . ? C87 C88 C69 119.7(3) . . ? C68 C88 C69 107.1(3) . . ? C60 C51 C50 120.6(3) . . ? C60 C51 C52 119.5(3) . . ? C50 C51 C52 108.3(3) . . ? C106 C96 C95 120.7(3) . . ? C106 C96 C97 119.8(3) . . ? C95 C96 C97 107.6(3) . . ? C65 C64 C63 120.2(3) . . ? C65 C64 C81 119.8(3) . . ? C63 C64 C81 108.2(3) . . ? C59 C58 C73 120.3(3) . . ? C59 C58 C57 119.9(3) . . ? C73 C58 C57 108.2(3) . . ? C105 C93 C94 119.9(3) . . ? C105 C93 C92 120.5(3) . . ? C94 C93 C92 107.5(3) . . ? C68 C67 C85 119.7(3) . . ? C68 C67 C66 120.1(3) . . ? C85 C67 C66 108.5(3) . . ? C98 C97 C79 120.2(3) . . ? C98 C97 C96 119.6(3) . . ? C79 C97 C96 108.2(3) . . ? C49 C54 C68 121.0(3) . . ? C49 C54 C55 119.2(3) . . ? C68 C54 C55 108.5(3) . . ? C62 C61 C77 120.0(3) . . ? C62 C61 C60 119.6(3) . . ? C77 C61 C60 108.0(3) . . ? C52 C63 C64 120.4(3) . . ? C52 C63 C62 119.7(3) . . ? C64 C63 C62 108.0(3) . . ? C63 C52 C53 119.6(3) . . ? C63 C52 C51 120.4(3) . . ? C53 C52 C51 107.8(3) . . ? C89 C103 C87 120.4(3) . . ? C89 C103 C102 119.7(3) . . ? C87 C103 C102 108.2(3) . . ? C53 C66 C67 120.0(3) . . ? C53 C66 C65 120.1(3) . . ? C67 C66 C65 107.5(3) . . ? C96 C106 C107 120.2(3) . . ? C96 C106 C105 119.4(3) . . ? C107 C106 C105 108.4(3) . . ? C88 C87 C103 120.8(3) . . ? C88 C87 C86 119.4(3) . . ? C103 C87 C86 107.9(3) . . ? C90 C104 C105 119.5(3) . . ? C90 C104 C108 120.0(3) . . ? C105 C104 C108 108.3(3) . . ? C67 C68 C54 119.5(3) . . ? C67 C68 C88 119.4(3) . . ? C54 C68 C88 108.5(3) . . ? C101 C100 C83 120.6(3) . . ? C101 C100 C99 119.5(3) . . ? C83 C100 C99 107.9(3) . . ? C83 C84 C65 119.9(3) . . ? C83 C84 C85 120.1(3) . . ? C65 C84 C85 107.6(3) . . ? C95 C94 C75 119.7(3) . . ? C95 C94 C93 120.1(3) . . ? C75 C94 C93 108.2(3) . . ? C84 C83 C100 119.6(3) . . ? C84 C83 C82 119.8(3) . . ? C100 C83 C82 108.4(3) . . ? C51 C60 C59 119.7(3) . . ? C51 C60 C61 120.4(3) . . ? C59 C60 C61 108.0(3) . . ? C104 C90 C91 120.3(3) . . ? C104 C90 C89 119.7(3) . . ? C91 C90 C89 108.2(3) . . ? C54 C49 C50 121.1(3) . . ? C54 C49 C53 119.7(3) . . ? C50 C49 C53 107.3(3) . . ? C108 C102 C101 119.2(3) . . ? C108 C102 C103 120.4(3) . . ? C101 C102 C103 108.1(3) . . ? C100 C101 C86 120.0(3) . . ? C100 C101 C102 120.3(3) . . ? C86 C101 C102 107.9(3) . . ? C56 C55 C69 120.2(3) . . ? C56 C55 C54 120.6(3) . . ? C69 C55 C54 107.7(3) . . ? C82 C81 C64 120.0(3) . . ? C82 C81 C80 119.8(3) . . ? C64 C81 C80 107.9(3) . . ? C99 C107 C106 120.5(3) . . ? C99 C107 C108 119.5(3) . . ? C106 C107 C108 108.1(3) . . ? C61 C62 C80 120.0(3) . . ? C61 C62 C63 120.4(3) . . ? C80 C62 C63 108.0(3) . . ? O3 Si1 O1 108.99(11) . . ? O3 Si1 C13 108.86(12) . . ? O1 Si1 C13 106.18(11) . . ? O3 Si1 C37 108.60(12) . . ? O1 Si1 C37 108.71(11) . . ? C13 Si1 C37 115.34(13) . . ? O2 Si2 O3 109.60(10) . . ? O2 Si2 C43 108.59(12) . . ? O3 Si2 C43 110.44(12) . . ? O2 Si2 C19 111.06(12) . . ? O3 Si2 C19 107.12(12) . . ? C43 Si2 C19 110.04(13) . . ? O1 Si3 O4 111.21(10) . . ? O1 Si3 C7 108.37(12) . . ? O4 Si3 C7 107.60(12) . . ? O1 Si3 C31 108.31(12) . . ? O4 Si3 C31 107.79(12) . . ? C7 Si3 C31 113.59(12) . . ? O2 Si4 O4 109.42(10) . . ? O2 Si4 C1 108.02(11) . . ? O4 Si4 C1 110.34(12) . . ? O2 Si4 C25 108.52(12) . . ? O4 Si4 C25 108.49(12) . . ? C1 Si4 C25 112.00(13) . . ? Si3 O1 Si1 167.40(14) . . ? Si2 O2 Si4 168.25(14) . . ? Si1 O3 Si2 148.15(13) . . ? Si3 O4 Si4 148.13(12) . . ? C14 C13 C18 117.3(3) . . ? C14 C13 Si1 122.1(2) . . ? C18 C13 Si1 120.2(2) . . ? C6 C1 C2 117.2(3) . . ? C6 C1 Si4 119.4(2) . . ? C2 C1 Si4 123.4(2) . . ? C30 C25 C26 117.2(3) . . ? C30 C25 Si4 120.9(2) . . ? C26 C25 Si4 121.9(2) . . ? C20 C19 C24 117.3(3) . . ? C20 C19 Si2 120.6(2) . . ? C24 C19 Si2 122.1(2) . . ? C44 C43 C48 118.2(3) . . ? C44 C43 Si2 119.5(2) . . ? C48 C43 Si2 122.0(2) . . ? C15 C14 C13 121.5(3) . . ? C27 C26 C25 121.3(3) . . ? C8 C7 C12 115.9(3) . . ? C8 C7 Si3 121.5(2) . . ? C12 C7 Si3 122.5(2) . . ? C42 C37 C38 117.0(3) . . ? C42 C37 Si1 124.0(2) . . ? C38 C37 Si1 119.0(2) . . ? C45 C44 C43 121.3(3) . . ? C7 C12 C11 122.7(3) . . ? C47 C48 C43 120.0(3) . . ? C36 C31 C32 118.0(3) . . ? C36 C31 Si3 121.6(2) . . ? C32 C31 Si3 120.4(2) . . ? C17 C18 C13 121.7(3) . . ? C31 C36 C35 121.1(3) . . ? C3 C2 C1 120.9(3) . . ? C29 C30 C25 121.7(3) . . ? C22 C23 C24 119.9(3) . . ? C5 C6 C1 121.9(3) . . ? C21 C20 C19 121.7(3) . . ? C23 C24 C19 121.2(3) . . ? C16 C15 C14 120.2(3) . . ? C40 C39 C38 120.4(3) . . ? C39 C38 C37 121.1(3) . . ? C33 C34 C35 120.1(3) . . ? C40 C41 C42 120.1(4) . . ? C6 C5 C4 119.7(3) . . ? C16 C17 C18 119.6(3) . . ? C34 C33 C32 120.2(3) . . ? C15 C16 C17 119.7(3) . . ? C46 C47 C48 120.3(3) . . ? C37 C42 C41 121.8(3) . . ? C27 C28 C29 120.1(3) . . ? C33 C32 C31 120.9(3) . . ? C4 C3 C2 120.3(3) . . ? C3 C4 C5 119.9(3) . . ? C47 C46 C45 120.4(3) . . ? C28 C29 C30 119.8(3) . . ? C34 C35 C36 119.7(3) . . ? C28 C27 C26 119.9(3) . . ? C10 C11 C12 120.2(3) . . ? C23 C22 C21 120.3(3) . . ? C46 C45 C44 119.7(3) . . ? C20 C21 C22 119.7(3) . . ? C41 C40 C39 119.6(3) . . ? C11 C10 C9 118.8(3) . . ? C7 C8 C9 121.8(4) . . ? C10 C9 C8 120.6(4) . . ? C201 C200 C202 118.3(4) . 2_675 ? C201 C200 C203 121.1(5) . . ? C202 C200 C203 120.6(5) 2_675 . ? C201 C202 C200 121.1(4) . 2_675 ? C202 C201 C200 120.6(4) . . ? _diffrn_measured_fraction_theta_max 0.780 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.932 _refine_diff_density_max 0.358 _refine_diff_density_min -0.351 _refine_diff_density_rms 0.056