Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2001 data_global _journal_coden_Cambridge 186 _publ_requested_journal 'Dalton Transactions' loop_ _publ_author_name 'Melanie J. Harvey' 'Timothy P. Hanusa' 'Maren Pink' _publ_contact_author_name 'Prof T Hanusa' _publ_contact_author_address ; Prof T Hanusa Department of Chemistry Vanderbilt University Nashville TN 37235 USA ; _publ_contact_author_email 't.hanusa@vanderbilt.edu' data_00035 _database_code_CSD 154073 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common 00035 _chemical_melting_point ? _chemical_formula_moiety '7(C14H29Si3K)' _chemical_formula_sum 'C98 H203 K7 Si21' _chemical_formula_weight 2245.19 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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'K' 'K' 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 31.796(2) _cell_length_b 21.666(2) _cell_length_c 21.289(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.496(2) _cell_angle_gamma 90.00 _cell_volume 14664.7(15) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 2891 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description needle _exptl_crystal_colour colourless _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.02 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.017 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4872 _exptl_absorpt_coefficient_mu 0.412 _exptl_absorpt_correction_type 'multi-scans' _exptl_absorpt_correction_T_min 0.871067 _exptl_absorpt_correction_T_max 1.000000 _exptl_absorpt_process_details 'SADABS, R. Blessing (1995)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'SMART Platform CCD, Bruker' _diffrn_measurement_method 'omega-scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 88344 _diffrn_reflns_av_R_equivalents 0.1787 _diffrn_reflns_av_sigmaI/netI 0.2904 _diffrn_reflns_limit_h_min -37 _diffrn_reflns_limit_h_max 35 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.48 _diffrn_reflns_theta_max 25.05 _reflns_number_total 25831 _reflns_number_gt 6969 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART, Bruker' _computing_cell_refinement 'SAINT, Bruker' _computing_data_reduction 'SAINT, Bruker' _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 _refine_ls_weighting_details ; calc [0.00000+1.00000exp(3.00(sin\q/\l)^2^)]/ [\s^2^(Fo^2^)+0.0000+0.0500*P+(0.0381P)^2^+0.0000sin\q/\l] where P = 0.33333Fo^2^ + 0.66667Fc^2^ ; _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 25831 _refine_ls_number_parameters 1129 _refine_ls_number_restraints 60 _refine_ls_R_factor_all 0.2357 _refine_ls_R_factor_gt 0.0592 _refine_ls_wR_factor_ref 0.1691 _refine_ls_wR_factor_gt 0.1145 _refine_ls_goodness_of_fit_ref 0.944 _refine_ls_restrained_S_all 0.960 _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 K1A K -0.10433(5) 0.65821(7) 0.36934(8) 0.0479(5) Uani 1 1 d . . . K1B K 0.03113(5) 0.65880(7) 0.21214(7) 0.0466(4) Uani 1 1 d . . . K1C K 0.17820(5) 0.65788(8) 0.07703(7) 0.0476(5) Uani 1 1 d . . . K1D K 0.32331(5) 0.66003(8) -0.06212(7) 0.0528(5) Uani 1 1 d . . . K1E K 0.45949(5) 0.66504(8) -0.22166(8) 0.0542(5) Uani 1 1 d . . . K1F K 0.60630(5) 0.67025(8) -0.35808(8) 0.0521(4) Uani 1 1 d . . . K1G K 0.75409(5) 0.64739(8) -0.48796(8) 0.0539(5) Uani 1 1 d . . . Si1A Si 0.02504(6) 0.66020(10) 0.40178(9) 0.0418(5) Uani 1 1 d . . . Si2A Si -0.03510(6) 0.79650(9) 0.32088(9) 0.0368(5) Uani 1 1 d . . . Si3A Si -0.08331(7) 0.56841(10) 0.20072(12) 0.0581(7) Uani 1 1 d . . . C1A C -0.0137(2) 0.6617(3) 0.3367(3) 0.0318(17) Uani 1 1 d . . . C2A C -0.0331(2) 0.7134(3) 0.3030(3) 0.0284(16) Uani 1 1 d . . . C3A C -0.0575(2) 0.6867(3) 0.2537(3) 0.0302(17) Uani 1 1 d . . . H3AA H -0.0733 0.7099 0.2238 0.036 Uiso 1 1 calc R . . C4A C -0.0555(2) 0.6209(3) 0.2545(3) 0.0293(17) Uani 1 1 d . . . C5A C -0.0283(2) 0.6074(3) 0.3063(3) 0.0361(18) Uani 1 1 d . . . H5AA H -0.0209 0.5667 0.3191 0.043 Uiso 1 1 calc R . . Si1B Si 0.07843(7) 0.54302(9) 0.06832(10) 0.0421(6) Uani 1 1 d . . . Si2B Si 0.13573(7) 0.55076(9) 0.23272(9) 0.0397(5) Uani 1 1 d . . . Si3B Si 0.10077(6) 0.79784(8) 0.13703(9) 0.0349(5) Uani 1 1 d . . . C1B C 0.09475(19) 0.6092(3) 0.1184(3) 0.0260(16) Uani 1 1 d . . . C2B C 0.1188(2) 0.6120(3) 0.1778(3) 0.0311(17) Uani 1 1 d . . . C3B C 0.1236(2) 0.6759(3) 0.1907(3) 0.0322(17) Uani 1 1 d . . . H3BA H 0.1382 0.6917 0.2264 0.039 Uiso 1 1 calc R . . C4B C 0.1042(2) 0.7135(3) 0.1441(3) 0.0277(15) Uani 1 1 d . . . C5B C 0.08681(19) 0.6710(3) 0.1008(3) 0.0288(16) Uani 1 1 d . . . H5BA H 0.0715 0.6826 0.0641 0.035 Uiso 1 1 calc R . . Si1C Si 0.29630(7) 0.57898(10) 0.09581(10) 0.0486(6) Uani 1 1 d . . . Si2C Si 0.28107(7) 0.76006(10) 0.09786(10) 0.0463(6) Uani 1 1 d . . . Si3C Si 0.19242(7) 0.66108(10) -0.11530(10) 0.0452(6) Uani 1 1 d . . . C1C C 0.2669(2) 0.6316(3) 0.0442(3) 0.0322(17) Uani 1 1 d . . . C2C C 0.2649(2) 0.6996(3) 0.0421(3) 0.0316(17) Uani 1 1 d . . . C3C C 0.2411(2) 0.7142(3) -0.0124(3) 0.0331(17) Uani 1 1 d . . . H3CA H 0.2350 0.7552 -0.0252 0.040 Uiso 1 1 calc R . . C4C C 0.2274(2) 0.6611(3) -0.0458(3) 0.0370(18) Uani 1 1 d . . . C5C C 0.2440(2) 0.6109(3) -0.0095(3) 0.0332(18) Uani 1 1 d . . . H5CA H 0.2400 0.5687 -0.0201 0.040 Uiso 1 1 calc R . . Si1D Si 0.34705(6) 0.54527(9) -0.20745(9) 0.0389(5) Uani 1 1 d . . . Si2D Si 0.43809(6) 0.54729(9) -0.08237(9) 0.0376(5) Uani 1 1 d . . . C1D C 0.3766(2) 0.6097(3) -0.1706(3) 0.0300(17) Uani 1 1 d . A . C2D C 0.4059(2) 0.6100(3) -0.1173(3) 0.0321(17) Uani 1 1 d . A . C3D C 0.4131(2) 0.6732(3) -0.1027(3) 0.0344(18) Uani 1 1 d . A . H3DA H 0.4314 0.6871 -0.0700 0.041 Uiso 1 1 calc R . . C4D C 0.3899(2) 0.7127(3) -0.1424(3) 0.0359(17) Uani 1 1 d . A . C5D C 0.3675(2) 0.6721(3) -0.1839(3) 0.0346(18) Uani 1 1 d . A . H5DA H 0.3488 0.6854 -0.2162 0.042 Uiso 1 1 calc R . . Si1E Si 0.50468(8) 0.76968(11) -0.37330(13) 0.0704(8) Uani 1 1 d . B . Si2E Si 0.48639(7) 0.58980(11) -0.38077(10) 0.0530(6) Uani 1 1 d . B . C1E C 0.5199(2) 0.7058(3) -0.3210(3) 0.0379(18) Uani 1 1 d . B . C2E C 0.5173(2) 0.6392(3) -0.3267(3) 0.0376(19) Uani 1 1 d . B . C3E C 0.5396(2) 0.6145(3) -0.2747(3) 0.0357(18) Uani 1 1 d . B . H3EA H 0.5429 0.5717 -0.2667 0.043 Uiso 1 1 calc R . . C4E C 0.5564(2) 0.6624(3) -0.2358(3) 0.0424(19) Uani 1 1 d . B . C5E C 0.5433(2) 0.7177(3) -0.2658(3) 0.045(2) Uani 1 1 d . B . H5EA H 0.5496 0.7579 -0.2506 0.054 Uiso 1 1 calc R . . Si1F Si 0.64327(8) 0.56921(12) -0.51825(13) 0.0726(8) Uani 1 1 d . . . Si2F Si 0.69517(7) 0.54202(10) -0.35108(13) 0.0671(8) Uani 1 1 d . . . Si3F Si 0.69346(7) 0.80229(9) -0.40791(10) 0.0471(6) Uani 1 1 d . . . C1F C 0.6640(2) 0.6235(3) -0.4580(3) 0.0362(18) Uani 1 1 d . B . C2F C 0.6865(2) 0.6124(3) -0.3991(3) 0.0358(18) Uani 1 1 d . B . C3F C 0.6989(2) 0.6713(3) -0.3768(3) 0.0360(18) Uani 1 1 d . B . H3FA H 0.7140 0.6780 -0.3386 0.043 Uiso 1 1 calc R . . C4F C 0.6862(2) 0.7191(3) -0.4184(3) 0.0316(17) Uani 1 1 d . B . C5F C 0.6652(2) 0.6873(3) -0.4680(3) 0.0382(19) Uani 1 1 d . B . H5FA H 0.6534 0.7071 -0.5038 0.046 Uiso 1 1 calc R . . Si1G Si 0.84363(7) 0.51577(9) -0.55167(10) 0.0416(5) Uani 1 1 d . . . Si2G Si 0.87450(7) 0.65141(9) -0.43612(9) 0.0413(5) Uani 1 1 d . . . Si3G Si 0.78210(7) 0.74679(10) -0.65163(10) 0.0533(6) Uani 1 1 d . . . C1G C 0.8313(2) 0.5991(3) -0.5515(3) 0.0345(17) Uani 1 1 d . . . C2G C 0.8461(2) 0.6496(3) -0.5123(3) 0.0325(17) Uani 1 1 d . . . C3G C 0.8306(2) 0.7051(3) -0.5418(3) 0.0338(17) Uani 1 1 d . . . H3GA H 0.8357 0.7456 -0.5265 0.041 Uiso 1 1 calc R . . C4G C 0.8065(2) 0.6913(3) -0.5973(3) 0.0373(18) Uani 1 1 d . . . C5G C 0.8077(2) 0.6267(3) -0.6009(3) 0.0326(17) Uani 1 1 d . . . H5GA H 0.7941 0.6037 -0.6332 0.039 Uiso 1 1 calc R . . C6A C 0.0114(2) 0.7134(3) 0.4682(3) 0.059(2) Uani 1 1 d . . . H6AA H -0.0161 0.7033 0.4833 0.089 Uiso 1 1 d R . . H6AB H 0.0115 0.7554 0.4534 0.089 Uiso 1 1 d R . . H6AC H 0.0316 0.7089 0.5017 0.089 Uiso 1 1 d R . . C7A C 0.0284(2) 0.5810(3) 0.4355(3) 0.058(2) Uani 1 1 d . . . H7AA H 0.0013 0.5689 0.4511 0.087 Uiso 1 1 d R . . H7AB H 0.0486 0.5806 0.4694 0.087 Uiso 1 1 d R . . H7AC H 0.0370 0.5526 0.4035 0.087 Uiso 1 1 d R . . C8A C 0.0788(2) 0.6817(3) 0.3732(3) 0.054(2) Uani 1 1 d . . . H8AA H 0.0870 0.6539 0.3403 0.081 Uiso 1 1 d R . . H8AB H 0.0987 0.6790 0.4074 0.081 Uiso 1 1 d R . . H8AC H 0.0783 0.7232 0.3572 0.081 Uiso 1 1 d R . . C9A C 0.0172(2) 0.8327(3) 0.3376(3) 0.050(2) Uani 1 1 d . . . H9AA H 0.0136 0.8760 0.3458 0.075 Uiso 1 1 d R . . H9AB H 0.0350 0.8274 0.3019 0.075 Uiso 1 1 d R . . H9AC H 0.0299 0.8132 0.3737 0.075 Uiso 1 1 d R . . C10A C -0.0707(2) 0.8093(3) 0.3907(3) 0.052(2) Uani 1 1 d . . . H10A H -0.0702 0.8523 0.4020 0.078 Uiso 1 1 d R . . H10B H -0.0610 0.7850 0.4256 0.078 Uiso 1 1 d R . . H10C H -0.0989 0.7974 0.3797 0.078 Uiso 1 1 d R . . C11A C -0.0590(2) 0.8383(3) 0.2523(3) 0.056(2) Uani 1 1 d . . . H11A H -0.0590 0.8819 0.2606 0.084 Uiso 1 1 d R . . H11B H -0.0873 0.8244 0.2458 0.084 Uiso 1 1 d R . . H11C H -0.0428 0.8301 0.2154 0.084 Uiso 1 1 d R . . C12A C -0.1422(3) 0.5792(5) 0.2082(6) 0.148(6) Uani 1 1 d . . . H12A H -0.1511 0.5641 0.2484 0.223 Uiso 1 1 d R . . H12B H -0.1563 0.5566 0.1754 0.223 Uiso 1 1 d R . . H12C H -0.1489 0.6223 0.2046 0.223 Uiso 1 1 d R . . C13A C -0.0690(3) 0.4872(3) 0.2198(4) 0.085(3) Uani 1 1 d . . . H13A H -0.0390 0.4842 0.2250 0.128 Uiso 1 1 d R . . H13B H -0.0780 0.4604 0.1863 0.128 Uiso 1 1 d R . . H13C H -0.0824 0.4751 0.2581 0.128 Uiso 1 1 d R . . C14A C -0.0696(3) 0.5847(4) 0.1189(4) 0.106(4) Uani 1 1 d . . . H14A H -0.0400 0.5932 0.1166 0.159 Uiso 1 1 d R . . H14B H -0.0851 0.6200 0.1041 0.159 Uiso 1 1 d R . . H14C H -0.0762 0.5495 0.0931 0.159 Uiso 1 1 d R . . C6B C 0.0437(2) 0.5714(3) 0.0037(3) 0.052(2) Uani 1 1 d . . . H6BA H 0.0193 0.5908 0.0211 0.079 Uiso 1 1 d R . . H6BB H 0.0352 0.5372 -0.0223 0.079 Uiso 1 1 d R . . H6BC H 0.0587 0.6008 -0.0213 0.079 Uiso 1 1 d R . . C7B C 0.1253(3) 0.5054(3) 0.0312(3) 0.072(3) Uani 1 1 d . . . H7BA H 0.1375 0.5333 0.0013 0.109 Uiso 1 1 d R . . H7BB H 0.1166 0.4683 0.0101 0.109 Uiso 1 1 d R . . H7BC H 0.1457 0.4956 0.0632 0.109 Uiso 1 1 d R . . C8B C 0.0480(2) 0.4845(3) 0.1134(4) 0.067(3) Uani 1 1 d . . . H8BA H 0.0268 0.5050 0.1374 0.100 Uiso 1 1 d R . . H8BB H 0.0668 0.4628 0.1414 0.100 Uiso 1 1 d R . . H8BC H 0.0350 0.4558 0.0849 0.100 Uiso 1 1 d R . . C9B C 0.1616(2) 0.4822(3) 0.1949(3) 0.060(2) Uani 1 1 d . . . H9BA H 0.1867 0.4953 0.1740 0.090 Uiso 1 1 d R . . H9BB H 0.1426 0.4639 0.1649 0.090 Uiso 1 1 d R . . H9BC H 0.1687 0.4523 0.2267 0.090 Uiso 1 1 d R . . C10B C 0.0903(2) 0.5199(3) 0.2783(3) 0.056(2) Uani 1 1 d . . . H10D H 0.0701 0.5019 0.2499 0.084 Uiso 1 1 d R . . H10E H 0.0773 0.5530 0.3011 0.084 Uiso 1 1 d R . . H10F H 0.1001 0.4890 0.3073 0.084 Uiso 1 1 d R . . C11B C 0.1737(2) 0.5840(3) 0.2907(3) 0.057(2) Uani 1 1 d . . . H11D H 0.1966 0.6029 0.2689 0.086 Uiso 1 1 d R . . H11E H 0.1842 0.5516 0.3175 0.086 Uiso 1 1 d R . . H11F H 0.1597 0.6144 0.3157 0.086 Uiso 1 1 d R . . C12B C 0.1232(2) 0.8213(3) 0.0598(3) 0.050(2) Uani 1 1 d . . . H12D H 0.1531 0.8142 0.0608 0.074 Uiso 1 1 d R . . H12E H 0.1178 0.8643 0.0524 0.074 Uiso 1 1 d R . . H12F H 0.1107 0.7972 0.0267 0.074 Uiso 1 1 d R . . C13B C 0.0445(2) 0.8235(3) 0.1404(3) 0.056(2) Uani 1 1 d . . . H13D H 0.0280 0.7999 0.1109 0.084 Uiso 1 1 d R . . H13E H 0.0427 0.8665 0.1298 0.084 Uiso 1 1 d R . . H13F H 0.0340 0.8172 0.1821 0.084 Uiso 1 1 d R . . C14B C 0.1298(2) 0.8373(3) 0.2019(3) 0.045(2) Uani 1 1 d . . . H14D H 0.1587 0.8244 0.2016 0.068 Uiso 1 1 d R . . H14E H 0.1175 0.8264 0.2414 0.068 Uiso 1 1 d R . . H14F H 0.1283 0.8812 0.1961 0.068 Uiso 1 1 d R . . C6C C 0.2867(3) 0.5935(4) 0.1805(3) 0.079(3) Uani 1 1 d . . . H6CA H 0.2576 0.5861 0.1896 0.119 Uiso 1 1 d R . . H6CB H 0.2937 0.6356 0.1903 0.119 Uiso 1 1 d R . . H6CC H 0.3040 0.5663 0.2055 0.119 Uiso 1 1 d R . . C7C C 0.2810(3) 0.4977(3) 0.0772(4) 0.079(3) Uani 1 1 d . . . H7CA H 0.2513 0.4928 0.0830 0.118 Uiso 1 1 d R . . H7CB H 0.2959 0.4699 0.1047 0.118 Uiso 1 1 d R . . H7CC H 0.2879 0.4887 0.0343 0.118 Uiso 1 1 d R . . C8C C 0.3545(2) 0.5856(4) 0.0821(4) 0.080(3) Uani 1 1 d . . . H8CA H 0.3607 0.5725 0.0401 0.120 Uiso 1 1 d R . . H8CB H 0.3693 0.5597 0.1116 0.120 Uiso 1 1 d R . . H8CC H 0.3633 0.6277 0.0878 0.120 Uiso 1 1 d R . . C9C C 0.3359(2) 0.7525(4) 0.1287(3) 0.067(3) Uani 1 1 d . . . H9CA H 0.3548 0.7488 0.0940 0.101 Uiso 1 1 d R . . H9CB H 0.3380 0.7164 0.1548 0.101 Uiso 1 1 d R . . H9CC H 0.3431 0.7885 0.1530 0.101 Uiso 1 1 d R . . C10C C 0.2450(3) 0.7607(4) 0.1674(3) 0.081(3) Uani 1 1 d . . . H10G H 0.2165 0.7657 0.1532 0.122 Uiso 1 1 d R . . H10H H 0.2526 0.7943 0.1947 0.122 Uiso 1 1 d R . . H10I H 0.2477 0.7224 0.1899 0.122 Uiso 1 1 d R . . C11C C 0.2756(3) 0.8370(3) 0.0600(4) 0.089(3) Uani 1 1 d . . . H11G H 0.2473 0.8419 0.0443 0.133 Uiso 1 1 d R . . H11H H 0.2949 0.8397 0.0257 0.133 Uiso 1 1 d R . . H11I H 0.2817 0.8690 0.0900 0.133 Uiso 1 1 d R . . C12C C 0.2014(3) 0.5933(4) -0.1653(4) 0.113(4) Uani 1 1 d . . . H12G H 0.2053 0.5576 -0.1391 0.170 Uiso 1 1 d R . . H12H H 0.2261 0.5997 -0.1901 0.170 Uiso 1 1 d R . . H12I H 0.1776 0.5871 -0.1925 0.170 Uiso 1 1 d R . . C13C C 0.1991(3) 0.7344(4) -0.1593(4) 0.100(4) Uani 1 1 d . . . H13G H 0.1969 0.7686 -0.1307 0.150 Uiso 1 1 d R . . H13H H 0.1778 0.7378 -0.1914 0.150 Uiso 1 1 d R . . H13I H 0.2264 0.7349 -0.1784 0.150 Uiso 1 1 d R . . C14C C 0.1367(2) 0.6592(4) -0.0905(4) 0.093(3) Uani 1 1 d . . . H14G H 0.1323 0.6242 -0.0636 0.139 Uiso 1 1 d R . . H14H H 0.1187 0.6559 -0.1269 0.139 Uiso 1 1 d R . . H14I H 0.1302 0.6964 -0.0681 0.139 Uiso 1 1 d R . . C6D C 0.3156(2) 0.5760(3) -0.2755(3) 0.061(2) Uani 1 1 d . . . H6DA H 0.3343 0.5899 -0.3077 0.091 Uiso 1 1 d R . . H6DB H 0.2986 0.6100 -0.2616 0.091 Uiso 1 1 d R . . H6DC H 0.2977 0.5440 -0.2919 0.091 Uiso 1 1 d R . . C7D C 0.3089(2) 0.5107(3) -0.1506(3) 0.056(2) Uani 1 1 d . . . H7DA H 0.3241 0.4928 -0.1159 0.084 Uiso 1 1 d R . . H7DB H 0.2926 0.4792 -0.1713 0.084 Uiso 1 1 d R . . H7DC H 0.2905 0.5424 -0.1353 0.084 Uiso 1 1 d R . . C8D C 0.3807(2) 0.4818(3) -0.2376(3) 0.058(2) Uani 1 1 d . . . H8DA H 0.3963 0.4638 -0.2033 0.087 Uiso 1 1 d R . . H8DB H 0.4000 0.4980 -0.2680 0.087 Uiso 1 1 d R . . H8DC H 0.3634 0.4508 -0.2571 0.087 Uiso 1 1 d R . . C9D C 0.4651(2) 0.5776(3) -0.0106(3) 0.055(2) Uani 1 1 d . . . H9DA H 0.4444 0.5902 0.0194 0.082 Uiso 1 1 d R . . H9DB H 0.4822 0.6125 -0.0217 0.082 Uiso 1 1 d R . . H9DC H 0.4826 0.5459 0.0075 0.082 Uiso 1 1 d R . . C10D C 0.4088(2) 0.4779(3) -0.0584(3) 0.053(2) Uani 1 1 d . . . H10J H 0.3857 0.4897 -0.0323 0.080 Uiso 1 1 d R . . H10K H 0.4272 0.4507 -0.0354 0.080 Uiso 1 1 d R . . H10L H 0.3982 0.4570 -0.0952 0.080 Uiso 1 1 d R . . C11D C 0.4793(2) 0.5224(3) -0.1393(3) 0.053(2) Uani 1 1 d . . . H11J H 0.4969 0.4916 -0.1199 0.079 Uiso 1 1 d R . . H11K H 0.4962 0.5574 -0.1508 0.079 Uiso 1 1 d R . . H11L H 0.4662 0.5054 -0.1763 0.079 Uiso 1 1 d R . . Si3D Si 0.38758(9) 0.79734(10) -0.14162(12) 0.0686(8) Uani 0.50 1 d PD A 3 C12D C 0.4062(5) 0.8318(7) -0.0690(5) 0.092(6) Uiso 0.50 1 d PD A 3 H12J H 0.3933 0.8152 -0.0320 0.138 Uiso 0.50 1 d PR A 3 H12K H 0.4016 0.8756 -0.0706 0.138 Uiso 0.50 1 d PR A 3 H12L H 0.4358 0.8235 -0.0678 0.138 Uiso 0.50 1 d PR A 3 C13D C 0.3299(3) 0.8175(7) -0.1539(7) 0.087(6) Uiso 0.50 1 d PD A 3 H13J H 0.3203 0.8006 -0.1932 0.131 Uiso 0.50 1 d PR A 3 H13K H 0.3266 0.8616 -0.1544 0.131 Uiso 0.50 1 d PR A 3 H13L H 0.3137 0.8004 -0.1202 0.131 Uiso 0.50 1 d PR A 3 C14D C 0.4123(5) 0.8284(7) -0.2141(5) 0.085(6) Uiso 0.50 1 d PD A 3 H14J H 0.4013 0.8065 -0.2499 0.127 Uiso 0.50 1 d PR A 3 H14K H 0.4422 0.8228 -0.2115 0.127 Uiso 0.50 1 d PR A 3 H14L H 0.4060 0.8716 -0.2184 0.127 Uiso 0.50 1 d PR A 3 Si3H Si 0.38758(9) 0.79734(10) -0.14162(12) 0.0686(8) Uani 0.50 1 d PD A 4 C12H C 0.3661(5) 0.8217(8) -0.0642(5) 0.093(6) Uiso 0.50 1 d PD A 4 H12M H 0.3683 0.7872 -0.0359 0.140 Uiso 0.50 1 d PR A 4 H12N H 0.3375 0.8359 -0.0657 0.140 Uiso 0.50 1 d PR A 4 H12O H 0.3840 0.8545 -0.0496 0.140 Uiso 0.50 1 d PR A 4 C13H C 0.3619(6) 0.8372(9) -0.2073(7) 0.152(10) Uiso 0.50 1 d PD A 4 H13M H 0.3685 0.8147 -0.2449 0.228 Uiso 0.50 1 d PR A 4 H13N H 0.3724 0.8786 -0.2107 0.228 Uiso 0.50 1 d PR A 4 H13O H 0.3320 0.8381 -0.2020 0.228 Uiso 0.50 1 d PR A 4 C14H C 0.4437(3) 0.8259(9) -0.1350(9) 0.145(9) Uiso 0.50 1 d PD A 4 H14M H 0.4551 0.8119 -0.0955 0.218 Uiso 0.50 1 d PR A 4 H14N H 0.4452 0.8702 -0.1369 0.218 Uiso 0.50 1 d PR A 4 H14O H 0.4597 0.8085 -0.1688 0.218 Uiso 0.50 1 d PR A 4 C6E C 0.4514(3) 0.7636(4) -0.4079(5) 0.126(5) Uani 1 1 d . B 1 H6EA H 0.4310 0.7719 -0.3761 0.188 Uiso 1 1 d R B 1 H6EB H 0.4472 0.7226 -0.4242 0.188 Uiso 1 1 d R B 1 H6EC H 0.4483 0.7930 -0.4414 0.188 Uiso 1 1 d R B 1 C7E C 0.5107(4) 0.8431(4) -0.3326(6) 0.156(6) Uani 1 1 d . B 1 H7EA H 0.4863 0.8503 -0.3073 0.234 Uiso 1 1 d R B 1 H7EB H 0.5135 0.8758 -0.3628 0.234 Uiso 1 1 d R B 1 H7EC H 0.5353 0.8418 -0.3061 0.234 Uiso 1 1 d R B 1 C8E C 0.5428(3) 0.7743(5) -0.4411(5) 0.148(5) Uani 1 1 d . B 1 H8E1 H 0.5368 0.8106 -0.4656 0.223 Uiso 1 1 d R B 1 H8E2 H 0.5398 0.7383 -0.4671 0.223 Uiso 1 1 d R B 1 H8E3 H 0.5711 0.7765 -0.4250 0.223 Uiso 1 1 d R B 1 C9E C 0.4971(3) 0.6045(4) -0.4659(3) 0.084(3) Uani 1 1 d . B 1 H9EA H 0.5258 0.5939 -0.4749 0.125 Uiso 1 1 d R B 1 H9EB H 0.4926 0.6475 -0.4748 0.125 Uiso 1 1 d R B 1 H9EC H 0.4786 0.5800 -0.4917 0.125 Uiso 1 1 d R B 1 C10E C 0.4284(2) 0.6013(4) -0.3676(4) 0.071(3) Uani 1 1 d . B 1 H10M H 0.4221 0.5924 -0.3245 0.106 Uiso 1 1 d R B 1 H10N H 0.4126 0.5738 -0.3945 0.106 Uiso 1 1 d R B 1 H10O H 0.4208 0.6432 -0.3770 0.106 Uiso 1 1 d R B 1 C11E C 0.4982(3) 0.5062(3) -0.3640(4) 0.085(3) Uani 1 1 d . B 1 H11JE H 0.5274 0.4982 -0.3723 0.127 Uiso 1 1 d R B 1 H11KE H 0.4810 0.4804 -0.3904 0.127 Uiso 1 1 d R B 1 H11LE H 0.4925 0.4974 -0.3207 0.127 Uiso 1 1 d R B 1 Si3E Si 0.59020(8) 0.65762(13) -0.16496(11) 0.0711(8) Uani 0.50 1 d PD B 3 C12E C 0.5855(7) 0.5886(7) -0.1153(9) 0.115(9) Uiso 0.50 1 d PD B 3 H12P H 0.5586 0.5896 -0.0933 0.173 Uiso 0.50 1 d PR B 3 H12Q H 0.6086 0.5879 -0.0843 0.173 Uiso 0.50 1 d PR B 3 H12R H 0.5869 0.5514 -0.1415 0.173 Uiso 0.50 1 d PR B 3 C13E C 0.6474(4) 0.6564(9) -0.1908(9) 0.117(8) Uiso 0.50 1 d PD B 3 H13P H 0.6514 0.6224 -0.2205 0.175 Uiso 0.50 1 d PR B 3 H13Q H 0.6657 0.6503 -0.1539 0.175 Uiso 0.50 1 d PR B 3 H13R H 0.6545 0.6956 -0.2112 0.175 Uiso 0.50 1 d PR B 3 C14E C 0.5841(9) 0.7298(8) -0.1160(11) 0.205(14) Uiso 0.50 1 d PD B 3 H14P H 0.5542 0.7396 -0.1108 0.307 Uiso 0.50 1 d PR B 3 H14Q H 0.5980 0.7639 -0.1379 0.307 Uiso 0.50 1 d PR B 3 H14R H 0.5973 0.7238 -0.0746 0.307 Uiso 0.50 1 d PR B 3 Si3I Si 0.59020(8) 0.65762(13) -0.16496(11) 0.0711(8) Uani 0.50 1 d PD B 4 C12I C 0.6008(6) 0.5737(5) -0.1460(9) 0.084(6) Uiso 0.50 1 d PD B 4 H12Y H 0.6161 0.5546 -0.1808 0.125 Uiso 0.50 1 d PR B 4 H12Z H 0.5741 0.5519 -0.1399 0.125 Uiso 0.50 1 d PR B 4 H12' H 0.6179 0.5710 -0.1075 0.125 Uiso 0.50 1 d PR B 4 C13I C 0.6385(4) 0.7038(7) -0.1750(7) 0.064(5) Uiso 0.50 1 d PD B 4 H13Y H 0.6542 0.6880 -0.2110 0.095 Uiso 0.50 1 d PR B 4 H13Z H 0.6559 0.7007 -0.1369 0.095 Uiso 0.50 1 d PR B 4 H13' H 0.6310 0.7472 -0.1825 0.095 Uiso 0.50 1 d PR B 4 C14I C 0.5595(5) 0.6913(7) -0.0976(6) 0.074(5) Uiso 0.50 1 d PD B 4 H14Y H 0.5518 0.7341 -0.1075 0.111 Uiso 0.50 1 d PR B 4 H14Z H 0.5771 0.6904 -0.0596 0.111 Uiso 0.50 1 d PR B 4 H14' H 0.5339 0.6671 -0.0906 0.111 Uiso 0.50 1 d PR B 4 C6F C 0.6102(3) 0.5058(4) -0.4828(4) 0.106(4) Uani 1 1 d . B . H6FA H 0.5998 0.5193 -0.4429 0.160 Uiso 1 1 d R . . H6FB H 0.6272 0.4695 -0.4770 0.160 Uiso 1 1 d R . . H6FC H 0.5869 0.4963 -0.5103 0.160 Uiso 1 1 d R . . C7F C 0.6100(3) 0.6121(4) -0.5767(4) 0.098(4) Uani 1 1 d . B . H7FA H 0.5864 0.6303 -0.5559 0.147 Uiso 1 1 d R . . H7FB H 0.6001 0.5840 -0.6086 0.147 Uiso 1 1 d R . . H7FC H 0.6265 0.6440 -0.5958 0.147 Uiso 1 1 d R . . C8F C 0.6875(3) 0.5323(4) -0.5628(4) 0.122(4) Uani 1 1 d . B . H8FA H 0.7054 0.5641 -0.5793 0.182 Uiso 1 1 d R . . H8FB H 0.6763 0.5080 -0.5968 0.182 Uiso 1 1 d R . . H8FC H 0.7035 0.5063 -0.5349 0.182 Uiso 1 1 d R . . C9F C 0.6436(2) 0.5148(4) -0.3160(4) 0.088(3) Uani 1 1 d . B . H9FA H 0.6330 0.5461 -0.2885 0.132 Uiso 1 1 d R . . H9FB H 0.6484 0.4774 -0.2927 0.132 Uiso 1 1 d R . . H9FC H 0.6235 0.5071 -0.3492 0.132 Uiso 1 1 d R . . C10F C 0.7181(3) 0.4766(4) -0.3963(5) 0.125(4) Uani 1 1 d . B . H10P H 0.7461 0.4871 -0.4090 0.188 Uiso 1 1 d R . . H10Q H 0.7010 0.4684 -0.4329 0.188 Uiso 1 1 d R . . H10R H 0.7189 0.4405 -0.3701 0.188 Uiso 1 1 d R . . C11F C 0.7321(2) 0.5604(4) -0.2854(4) 0.090(3) Uani 1 1 d . B . H11M H 0.7576 0.5774 -0.3019 0.134 Uiso 1 1 d R . . H11N H 0.7384 0.5232 -0.2624 0.134 Uiso 1 1 d R . . H11O H 0.7193 0.5898 -0.2579 0.134 Uiso 1 1 d R . . C12F C 0.7508(3) 0.8199(4) -0.3956(4) 0.093(3) Uani 1 1 d . B . H12S H 0.7663 0.8078 -0.4321 0.140 Uiso 1 1 d R . . H12T H 0.7613 0.7978 -0.3596 0.140 Uiso 1 1 d R . . H12U H 0.7541 0.8635 -0.3889 0.140 Uiso 1 1 d R . . C13F C 0.6735(3) 0.8457(3) -0.4773(4) 0.075(3) Uani 1 1 d . B . H13S H 0.6436 0.8401 -0.4808 0.112 Uiso 1 1 d R . . H13T H 0.6867 0.8308 -0.5147 0.112 Uiso 1 1 d R . . H13U H 0.6797 0.8888 -0.4720 0.112 Uiso 1 1 d R . . C14F C 0.6630(3) 0.8282(3) -0.3378(4) 0.082(3) Uani 1 1 d . B . H14S H 0.6337 0.8203 -0.3449 0.123 Uiso 1 1 d R . . H14T H 0.6673 0.8717 -0.3315 0.123 Uiso 1 1 d R . . H14U H 0.6725 0.8061 -0.3012 0.123 Uiso 1 1 d R . . C6G C 0.8070(2) 0.4752(3) -0.6071(4) 0.063(2) Uani 1 1 d . B . H6GA H 0.8075 0.4954 -0.6473 0.095 Uiso 1 1 d R . . H6GB H 0.7790 0.4765 -0.5907 0.095 Uiso 1 1 d R . . H6GC H 0.8157 0.4330 -0.6117 0.095 Uiso 1 1 d R . . C7G C 0.8391(2) 0.4777(3) -0.4726(3) 0.064(2) Uani 1 1 d . B . H7GA H 0.8104 0.4796 -0.4593 0.096 Uiso 1 1 d R . . H7GB H 0.8567 0.4988 -0.4426 0.096 Uiso 1 1 d R . . H7GC H 0.8477 0.4353 -0.4756 0.096 Uiso 1 1 d R . . C8G C 0.8991(2) 0.5045(3) -0.5809(3) 0.049(2) Uani 1 1 d . . . H8G1 H 0.9004 0.5168 -0.6242 0.073 Uiso 1 1 d R . . H8G2 H 0.9068 0.4618 -0.5771 0.073 Uiso 1 1 d R . . H8G3 H 0.9181 0.5293 -0.5563 0.073 Uiso 1 1 d R . . C9G C 0.9230(2) 0.6019(3) -0.4339(3) 0.063(2) Uani 1 1 d . B . H9GA H 0.9153 0.5596 -0.4417 0.094 Uiso 1 1 d R . . H9GB H 0.9363 0.6051 -0.3934 0.094 Uiso 1 1 d R . . H9GC H 0.9421 0.6155 -0.4658 0.094 Uiso 1 1 d R . . C10G C 0.8912(2) 0.7329(3) -0.4182(3) 0.065(2) Uani 1 1 d . B . H10S H 0.9082 0.7480 -0.4520 0.097 Uiso 1 1 d R . . H10T H 0.9072 0.7338 -0.3797 0.097 Uiso 1 1 d R . . H10U H 0.8667 0.7585 -0.4141 0.097 Uiso 1 1 d R . . C11G C 0.8389(2) 0.6263(3) -0.3719(3) 0.058(2) Uani 1 1 d . B . H11P H 0.8166 0.6558 -0.3675 0.087 Uiso 1 1 d R . . H11Q H 0.8546 0.6235 -0.3332 0.087 Uiso 1 1 d R . . H11R H 0.8272 0.5866 -0.3821 0.087 Uiso 1 1 d R . . C12G C 0.8161(3) 0.7615(5) -0.7202(4) 0.116(4) Uani 1 1 d . B . H12V H 0.8422 0.7794 -0.7063 0.174 Uiso 1 1 d R . . H12W H 0.8021 0.7894 -0.7487 0.174 Uiso 1 1 d R . . H12X H 0.8216 0.7232 -0.7414 0.174 Uiso 1 1 d R . . C13G C 0.7330(3) 0.7133(5) -0.6834(6) 0.167(6) Uani 1 1 d . B . H13V H 0.7141 0.7046 -0.6496 0.251 Uiso 1 1 d R . . H13W H 0.7394 0.6757 -0.7052 0.251 Uiso 1 1 d R . . H13X H 0.7200 0.7420 -0.7120 0.251 Uiso 1 1 d R . . C14G C 0.7730(4) 0.8216(4) -0.6138(4) 0.131(5) Uani 1 1 d . B . H14V H 0.7567 0.8156 -0.5765 0.197 Uiso 1 1 d R . . H14W H 0.7580 0.8483 -0.6422 0.197 Uiso 1 1 d R . . H14X H 0.7995 0.8400 -0.6027 0.197 Uiso 1 1 d 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 K1A 0.0380(10) 0.0505(10) 0.0555(11) 0.0006(9) 0.0241(9) 0.0005(9) K1B 0.0353(10) 0.0546(11) 0.0501(11) -0.0016(9) 0.0189(8) -0.0026(9) K1C 0.0324(10) 0.0620(12) 0.0487(10) -0.0016(9) 0.0172(8) -0.0026(9) K1D 0.0413(11) 0.0688(13) 0.0487(11) 0.0036(10) 0.0228(9) 0.0035(9) K1E 0.0454(12) 0.0629(12) 0.0547(11) -0.0029(10) 0.0277(9) -0.0045(9) K1F 0.0338(10) 0.0662(11) 0.0565(10) 0.0034(10) 0.0184(8) 0.0017(9) K1G 0.0390(11) 0.0595(12) 0.0636(12) -0.0023(10) 0.0271(9) 0.0020(9) Si1A 0.0353(13) 0.0545(14) 0.0357(12) 0.0037(11) 0.0020(10) 0.0065(11) Si2A 0.0435(13) 0.0287(11) 0.0383(12) -0.0031(10) 0.0067(10) -0.0009(10) Si3A 0.0493(16) 0.0480(15) 0.0769(18) -0.0288(13) -0.0062(14) -0.0063(11) C1A 0.033(4) 0.029(4) 0.033(4) 0.003(3) 0.011(3) -0.002(3) C2A 0.031(4) 0.029(4) 0.026(4) 0.002(3) 0.007(3) 0.000(3) C3A 0.030(4) 0.031(4) 0.030(4) 0.001(3) 0.005(3) 0.002(3) C4A 0.027(4) 0.029(4) 0.032(4) -0.006(3) 0.010(3) -0.002(3) C5A 0.030(4) 0.031(4) 0.048(5) 0.001(4) 0.014(4) -0.002(3) Si1B 0.0466(14) 0.0342(12) 0.0454(13) -0.0052(11) -0.0077(11) -0.0012(10) Si2B 0.0429(14) 0.0404(13) 0.0359(12) 0.0065(10) 0.0036(10) 0.0079(10) Si3B 0.0418(14) 0.0289(11) 0.0342(11) -0.0012(10) 0.0002(10) 0.0028(10) C1B 0.024(4) 0.022(4) 0.033(4) -0.001(3) 0.003(3) -0.001(3) C2B 0.031(4) 0.032(4) 0.031(4) 0.008(3) -0.001(3) -0.003(3) C3B 0.034(4) 0.035(4) 0.027(4) 0.003(3) 0.002(3) -0.003(3) C4B 0.024(4) 0.033(4) 0.026(4) 0.004(3) 0.008(3) -0.003(3) C5B 0.023(4) 0.029(4) 0.034(4) -0.002(3) -0.003(3) -0.002(3) Si1C 0.0425(15) 0.0542(14) 0.0491(14) 0.0149(12) 0.0000(12) 0.0050(11) Si2C 0.0400(14) 0.0507(14) 0.0483(14) -0.0131(12) -0.0016(11) -0.0027(11) Si3C 0.0396(14) 0.0556(14) 0.0402(13) -0.0040(12) -0.0056(11) 0.0022(11) C1C 0.030(4) 0.038(4) 0.028(4) 0.002(3) 0.007(3) 0.003(3) C2C 0.026(4) 0.039(4) 0.030(4) -0.004(3) 0.001(3) -0.001(3) C3C 0.034(4) 0.036(4) 0.030(4) 0.000(3) 0.004(3) 0.003(3) C4C 0.035(5) 0.042(5) 0.033(4) 0.004(4) 0.008(4) 0.002(4) C5C 0.037(5) 0.029(4) 0.034(4) -0.007(3) 0.008(4) 0.002(3) Si1D 0.0410(13) 0.0370(12) 0.0388(12) 0.0017(10) 0.0017(10) -0.0025(10) Si2D 0.0364(13) 0.0337(12) 0.0426(13) 0.0033(10) 0.0022(10) 0.0048(10) C1D 0.032(4) 0.026(4) 0.032(4) 0.007(3) 0.009(3) 0.005(3) C2D 0.033(4) 0.028(4) 0.036(4) 0.000(3) 0.007(4) 0.007(3) C3D 0.034(4) 0.034(4) 0.035(4) -0.004(4) 0.008(3) 0.003(3) C4D 0.045(5) 0.030(4) 0.033(4) 0.001(4) 0.015(3) -0.001(4) C5D 0.036(5) 0.040(5) 0.028(4) 0.012(4) 0.014(3) 0.010(4) Si1E 0.0486(16) 0.0634(17) 0.099(2) 0.0412(16) 0.0083(15) 0.0052(13) Si2E 0.0412(15) 0.0745(17) 0.0435(14) -0.0139(13) 0.0061(11) -0.0067(12) C1E 0.035(5) 0.043(5) 0.036(4) 0.010(4) 0.007(4) 0.000(4) C2E 0.028(4) 0.053(5) 0.032(4) 0.012(4) 0.008(3) 0.000(4) C3E 0.037(5) 0.034(4) 0.036(4) -0.001(4) 0.006(4) -0.005(4) C4E 0.033(5) 0.053(5) 0.041(5) -0.003(4) 0.010(4) -0.008(4) C5E 0.042(5) 0.038(5) 0.056(5) -0.005(4) 0.022(4) -0.009(4) Si1F 0.0571(18) 0.0797(19) 0.0813(19) -0.0431(16) 0.0194(15) -0.0219(14) Si2F 0.0410(15) 0.0439(14) 0.117(2) 0.0313(15) 0.0160(15) 0.0044(12) Si3F 0.0510(15) 0.0336(12) 0.0568(15) -0.0033(11) 0.0073(12) -0.0040(11) C1F 0.028(4) 0.038(5) 0.043(5) -0.007(4) 0.009(4) -0.003(3) C2F 0.025(4) 0.029(4) 0.054(5) 0.003(4) 0.020(4) -0.004(3) C3F 0.025(4) 0.050(5) 0.033(4) 0.005(4) 0.008(3) -0.004(4) C4F 0.024(4) 0.031(4) 0.040(4) 0.000(4) 0.007(3) 0.004(3) C5F 0.034(5) 0.042(5) 0.039(5) 0.005(4) 0.005(4) 0.003(4) Si1G 0.0423(13) 0.0327(12) 0.0501(14) -0.0004(11) 0.0135(11) 0.0020(10) Si2G 0.0424(13) 0.0488(13) 0.0327(12) 0.0013(11) 0.0026(10) 0.0010(11) Si3G 0.0494(15) 0.0549(15) 0.0555(15) 0.0106(13) -0.0014(12) 0.0143(12) C1G 0.031(4) 0.040(4) 0.033(4) -0.002(4) 0.013(3) 0.000(3) C2G 0.029(4) 0.027(4) 0.042(4) -0.002(3) 0.011(3) 0.005(3) C3G 0.034(4) 0.023(4) 0.045(4) -0.005(4) 0.015(4) 0.003(3) C4G 0.033(4) 0.037(5) 0.042(5) -0.002(4) -0.003(4) 0.004(3) C5G 0.027(4) 0.039(4) 0.032(4) -0.003(4) 0.007(3) -0.003(3) C6A 0.047(5) 0.093(7) 0.037(5) -0.005(5) -0.002(4) 0.020(5) C7A 0.046(5) 0.074(6) 0.055(5) 0.027(5) 0.006(4) 0.015(4) C8A 0.039(5) 0.078(6) 0.047(5) -0.015(4) 0.000(4) -0.002(4) C9A 0.053(5) 0.044(5) 0.053(5) -0.011(4) 0.008(4) -0.014(4) C10A 0.064(6) 0.039(5) 0.055(5) -0.003(4) 0.017(4) 0.008(4) C11A 0.062(6) 0.043(5) 0.063(5) 0.011(4) -0.008(4) 0.006(4) C12A 0.037(6) 0.157(11) 0.251(14) -0.121(10) -0.019(8) -0.004(7) C13A 0.105(8) 0.048(5) 0.103(7) -0.030(5) 0.029(6) -0.021(5) C14A 0.168(11) 0.102(8) 0.048(6) -0.035(6) -0.031(7) 0.017(8) C6B 0.054(6) 0.054(5) 0.049(5) -0.006(4) -0.021(4) -0.006(4) C7B 0.100(8) 0.070(6) 0.047(5) -0.020(5) -0.010(5) 0.028(5) C8B 0.068(6) 0.035(4) 0.097(7) 0.010(5) -0.023(5) -0.017(4) C9B 0.064(6) 0.054(5) 0.063(5) 0.002(4) -0.010(5) 0.028(4) C10B 0.064(6) 0.043(5) 0.061(5) 0.013(4) 0.012(5) -0.003(4) C11B 0.053(6) 0.075(6) 0.044(5) 0.009(4) -0.006(4) 0.016(5) C12B 0.064(6) 0.038(4) 0.047(5) 0.009(4) 0.005(4) -0.006(4) C13B 0.054(6) 0.065(5) 0.048(5) -0.002(4) -0.001(4) 0.018(4) C14B 0.052(5) 0.045(5) 0.039(4) -0.013(4) -0.010(4) -0.002(4) C6C 0.095(8) 0.093(7) 0.050(6) 0.028(5) 0.002(5) 0.004(6) C7C 0.095(8) 0.046(5) 0.095(7) 0.015(5) -0.007(6) 0.013(5) C8C 0.048(6) 0.074(6) 0.118(8) 0.023(6) 0.002(6) 0.025(5) C9C 0.050(6) 0.083(6) 0.068(6) -0.015(5) -0.010(5) -0.018(5) C10C 0.081(7) 0.098(7) 0.065(6) -0.043(5) 0.016(5) -0.015(6) C11C 0.119(9) 0.051(6) 0.095(7) -0.022(5) -0.036(7) -0.012(6) C12C 0.117(9) 0.119(8) 0.102(8) -0.065(7) -0.064(7) 0.058(7) C13C 0.115(9) 0.109(8) 0.075(7) 0.039(6) -0.026(6) -0.033(7) C14C 0.036(6) 0.155(10) 0.087(7) 0.022(7) -0.007(5) 0.018(6) C6D 0.057(6) 0.070(6) 0.054(5) 0.004(5) -0.013(5) -0.003(5) C7D 0.049(5) 0.045(5) 0.073(6) 0.006(4) 0.003(5) -0.013(4) C8D 0.079(6) 0.046(5) 0.050(5) 0.004(4) 0.005(5) 0.000(5) C9D 0.045(5) 0.057(5) 0.061(5) -0.003(4) -0.010(4) 0.014(4) C10D 0.060(6) 0.043(5) 0.057(5) 0.010(4) -0.001(4) 0.008(4) C11D 0.043(5) 0.044(5) 0.072(6) -0.005(4) 0.010(4) 0.013(4) Si3D 0.101(2) 0.0332(13) 0.0726(17) 0.0028(14) 0.0228(15) 0.0062(15) Si3H 0.101(2) 0.0332(13) 0.0726(17) 0.0028(14) 0.0228(15) 0.0062(15) C6E 0.057(7) 0.119(9) 0.200(12) 0.102(8) -0.035(8) 0.007(6) C7E 0.155(12) 0.047(7) 0.265(16) 0.052(9) -0.023(11) 0.013(7) C8E 0.086(9) 0.216(13) 0.143(10) 0.127(10) 0.025(8) 0.015(9) C9E 0.067(7) 0.144(9) 0.040(5) -0.017(6) 0.001(5) 0.000(6) C10E 0.044(6) 0.094(7) 0.074(6) -0.020(5) 0.006(5) -0.015(5) C11E 0.083(7) 0.061(6) 0.111(8) -0.028(6) 0.017(6) -0.019(5) Si3E 0.0572(18) 0.114(2) 0.0419(14) 0.0043(15) -0.0063(13) -0.0174(16) Si3I 0.0572(18) 0.114(2) 0.0419(14) 0.0043(15) -0.0063(13) -0.0174(16) C6F 0.096(8) 0.082(7) 0.141(9) -0.049(7) 0.017(7) -0.057(6) C7F 0.098(8) 0.135(9) 0.060(6) -0.030(6) -0.009(6) -0.043(7) C8F 0.110(9) 0.124(9) 0.132(9) -0.088(8) 0.042(8) -0.001(7) C9F 0.052(6) 0.077(6) 0.135(9) 0.058(6) 0.016(6) -0.008(5) C10F 0.086(8) 0.059(6) 0.231(13) 0.020(8) 0.058(9) 0.017(6) C11F 0.051(6) 0.102(7) 0.115(8) 0.081(6) -0.020(6) -0.002(5) C12F 0.078(8) 0.068(6) 0.133(9) -0.002(6) -0.017(7) -0.035(5) C13F 0.083(7) 0.059(6) 0.082(6) 0.020(5) 0.021(5) 0.018(5) C14F 0.125(9) 0.039(5) 0.082(7) -0.016(5) 0.033(6) 0.004(5) C6G 0.056(6) 0.047(5) 0.087(6) -0.020(5) 0.011(5) -0.003(4) C7G 0.064(6) 0.055(5) 0.073(6) 0.015(5) 0.032(5) 0.000(4) C8G 0.051(5) 0.037(4) 0.059(5) -0.001(4) 0.024(4) 0.008(4) C9G 0.050(6) 0.078(6) 0.060(5) 0.009(5) -0.004(4) -0.009(5) C10G 0.077(7) 0.067(6) 0.050(5) -0.003(4) -0.008(5) -0.006(5) C11G 0.061(6) 0.070(6) 0.042(5) -0.006(4) 0.008(4) 0.007(4) C12G 0.122(10) 0.149(10) 0.078(7) 0.050(7) 0.007(7) 0.040(8) C13G 0.095(10) 0.128(10) 0.278(16) 0.067(10) -0.120(11) -0.007(8) C14G 0.239(15) 0.058(6) 0.097(8) 0.006(6) 0.021(9) 0.093(8) _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 (isotropi= c) 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 K1A C2A 2.934(6) . ? K1A C3A 2.953(6) . ? K1A C1G 2.954(7) 1_456 ? K1A C5G 2.954(7) 1_456 ? K1A C1A 2.972(7) . ? K1A C5A 2.985(7) . ? K1A C2G 2.989(7) 1_456 ? K1A C3G 2.993(6) 1_456 ? K1A C4G 3.016(7) 1_456 ? K1A C4A 3.018(6) . ? K1A C10A 3.473(7) . ? K1A C8G 3.496(7) 1_456 ? K1B C5B 2.982(6) . ? K1B C5A 2.984(7) . ? K1B C4B 2.993(6) . ? K1B C3B 3.003(7) . ? K1B C4A 3.020(6) . ? K1B C1A 3.021(6) . ? K1B C3A 3.023(6) . ? K1B C1B 3.049(6) . ? K1B C2B 3.059(7) . ? K1B C2A 3.063(6) . ? K1C C5B 2.968(6) . ? K1C C1C 2.968(7) . ? K1C C5C 2.978(6) . ? K1C C1B 2.995(6) . ? K1C C2C 3.000(7) . ? K1C C4B 3.014(7) . ? K1C C3B 3.016(6) . ? K1C C3C 3.030(7) . ? K1C C2B 3.038(7) . ? K1C C4C 3.060(7) . ? K1D C4D 2.962(7) . ? K1D C1C 2.965(7) . ? K1D C5C 2.966(7) . ? K1D C5D 2.970(6) . ? K1D C3D 3.004(7) . ? K1D C2C 3.031(7) . ? K1D C3C 3.061(7) . ? K1D C4C 3.072(7) . ? K1D C1D 3.077(6) . ? K1D C2D 3.083(7) . ? K1D Si1C 3.895(3) . ? K1E C3D 2.948(6) . ? K1E C2E 2.961(7) . ? K1E C4D 2.978(7) . ? K1E C3E 3.001(7) . ? K1E C1E 3.001(7) . ? K1E C5D 3.045(7) . ? K1E C5E 3.055(7) . ? K1E C2D 3.055(7) . ? K1E C4E 3.100(7) . ? K1E C1D 3.101(7) . ? K1E C10E 3.535(7) . ? K1E Si2E 3.861(3) . ? K1F C1E 2.968(7) . ? K1F C3F 2.976(7) . ? K1F C2F 2.979(7) . ? K1F C2E 2.990(7) . ? K1F C1F 2.998(7) . ? K1F C5E 2.999(7) . ? K1F C3E 3.029(7) . ? K1F C5F 3.033(7) . ? K1F C4F 3.046(7) . ? K1F C4E 3.065(7) . ? K1F C8E 3.496(10) . ? K1F Si1E 3.894(3) . ? K1G C3G 2.973(7) . ? K1G C2F 2.974(7) . ? K1G C2G 2.976(7) . ? K1G C1F 2.985(7) . ? K1G C5F 2.988(7) . ? K1G C5G 2.993(6) . ? K1G C1G 3.002(7) . ? K1G C3F 3.003(7) . ? K1G C4G 3.027(7) . ? K1G C4F 3.054(6) . ? Si1A C1A 1.846(7) . ? Si1A C7A 1.862(7) . ? Si1A C6A 1.878(7) . ? Si1A C8A 1.879(7) . ? Si2A C2A 1.841(6) . ? Si2A C9A 1.870(7) . ? Si2A C11A 1.873(6) . ? Si2A C10A 1.896(7) . ? Si3A C4A 1.835(6) . ? Si3A C14A 1.835(9) . ? Si3A C13A 1.862(8) . ? Si3A C12A 1.894(9) . ? C1A C5A 1.420(8) . ? C1A C2A 1.464(8) . ? C2A C3A 1.425(8) . ? C3A C4A 1.427(8) . ? C4A C5A 1.428(8) . ? Si1B C1B 1.858(6) . ? Si1B C6B 1.862(6) . ? Si1B C8B 1.865(7) . ? Si1B C7B 1.878(8) . ? Si2B C2B 1.847(6) . ? Si2B C11B 1.862(7) . ? Si2B C10B 1.871(7) . ? Si2B C9B 1.882(7) . ? Si3B C4B 1.837(6) . ? Si3B C14B 1.861(6) . ? Si3B C12B 1.868(7) . ? Si3B C13B 1.876(7) . ? C1B C5B 1.412(8) . ? C1B C2B 1.472(8) . ? C2B C3B 1.419(8) . ? C3B C4B 1.422(8) . ? C4B C5B 1.411(8) . ? Si1C C1C 1.832(7) . ? Si1C C6C 1.858(7) . ? Si1C C7C 1.868(7) . ? Si1C C8C 1.882(8) . ? Si2C C2C 1.838(6) . ? Si2C C11C 1.859(8) . ? Si2C C9C 1.864(7) . ? Si2C C10C 1.880(8) . ? Si3C C12C 1.837(8) . ? Si3C C4C 1.843(7) . ? Si3C C14C 1.854(8) . ? Si3C C13C 1.858(8) . ? C1C C5C 1.425(8) . ? C1C C2C 1.477(8) . ? C2C C3C 1.413(8) . ? C3C C4C 1.419(8) . ? C4C C5C 1.431(8) . ? Si1D C1D 1.852(7) . ? Si1D C8D 1.861(7) . ? Si1D C6D 1.875(7) . ? Si1D C7D 1.878(7) . ? Si2D C10D 1.843(7) . ? Si2D C2D 1.852(6) . ? Si2D C9D 1.866(7) . ? Si2D C11D 1.873(7) . ? C1D C5D 1.411(8) . ? C1D C2D 1.464(8) . ? C2D C3D 1.423(8) . ? C3D C4D 1.408(8) . ? C4D C5D 1.433(9) . ? C4D Si3D 1.835(6) . ? Si1E C7E 1.821(10) . ? Si1E C1E 1.838(7) . ? Si1E C6E 1.845(8) . ? Si1E C8E 1.895(10) . ? Si2E C2E 1.847(7) . ? Si2E C9E 1.875(7) . ? Si2E C11E 1.883(8) . ? Si2E C10E 1.885(8) . ? C1E C5E 1.410(9) . ? C1E C2E 1.451(9) . ? C2E C3E 1.414(8) . ? C3E C4E 1.429(8) . ? C4E C5E 1.419(9) . ? C4E Si3E 1.847(7) . ? Si1F C1F 1.857(7) . ? Si1F C7F 1.873(9) . ? Si1F C8F 1.881(9) . ? Si1F C6F 1.891(8) . ? Si2F C2F 1.855(7) . ? Si2F C11F 1.861(8) . ? Si2F C10F 1.866(9) . ? Si2F C9F 1.900(8) . ? Si3F C4F 1.831(6) . ? Si3F C13F 1.858(7) . ? Si3F C14F 1.871(8) . ? Si3F C12F 1.879(8) . ? C1F C5F 1.400(8) . ? C1F C2F 1.456(9) . ? C2F C3F 1.418(8) . ? C3F C4F 1.419(8) . ? C4F C5F 1.421(8) . ? Si1G C1G 1.848(7) . ? Si1G C6G 1.869(7) . ? Si1G C7G 1.881(7) . ? Si1G C8G 1.890(7) . ? Si1G K1A 3.891(3) 1_654 ? Si2G C2G 1.850(7) . ? Si2G C11G 1.863(7) . ? Si2G C9G 1.878(7) . ? Si2G C10G 1.881(7) . ? Si3G C14G 1.834(8) . ? Si3G C4G 1.836(7) . ? Si3G C13G 1.843(9) . ? Si3G C12G 1.852(9) . ? C1G C5G 1.420(8) . ? C1G C2G 1.451(8) . ? C1G K1A 2.954(7) 1_654 ? C2G C3G 1.440(8) . ? C2G K1A 2.989(7) 1_654 ? C3G C4G 1.435(8) . ? C3G K1A 2.993(6) 1_654 ? C4G C5G 1.401(8) . ? C4G K1A 3.016(7) 1_654 ? C5G K1A 2.954(7) 1_654 ? Si3D C12D 1.811(8) . ? Si3D C14D 1.863(8) . ? Si3D C13D 1.900(9) . ? Si3E C12E 1.840(12) . ? Si3E C14E 1.890(13) . ? Si3E C13E 1.904(12) . ? C8G K1A 3.495(7) 1_654 ? 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 C2A K1A C3A 28.00(15) . . ? C2A K1A C1G 173.02(19) . 1_456 ? C3A K1A C1G 157.34(19) . 1_456 ? C2A K1A C5G 159.04(19) . 1_456 ? C3A K1A C5G 135.39(19) . 1_456 ? C1G K1A C5G 27.82(16) 1_456 1_456 ? C2A K1A C1A 28.70(16) . . ? C3A K1A C1A 45.82(17) . . ? C1G K1A C1A 145.33(19) 1_456 . ? C5G K1A C1A 168.07(19) 1_456 . ? C2A K1A C5A 45.81(17) . . ? C3A K1A C5A 44.52(18) . . ? C1G K1A C5A 131.60(19) 1_456 . ? C5G K1A C5A 141.54(19) 1_456 . ? C1A K1A C5A 27.57(16) . . ? C2A K1A C2G 147.75(18) . 1_456 ? C3A K1A C2G 171.45(18) . 1_456 ? C1G K1A C2G 28.26(16) 1_456 1_456 ? C5G K1A C2G 45.39(17) 1_456 1_456 ? C1A K1A C2G 135.91(18) . 1_456 ? C5A K1A C2G 142.24(19) . 1_456 ? C2A K1A C3G 134.96(18) . 1_456 ? C3A K1A C3G 144.30(18) . 1_456 ? C1G K1A C3G 45.59(17) 1_456 1_456 ? C5G K1A C3G 44.08(18) 1_456 1_456 ? C1A K1A C3G 144.73(19) . 1_456 ? C5A K1A C3G 167.43(19) . 1_456 ? C2G K1A C3G 27.86(15) 1_456 1_456 ? C2A K1A C4G 138.40(18) . 1_456 ? C3A K1A C4G 128.91(19) . 1_456 ? C1G K1A C4G 46.46(18) 1_456 1_456 ? C5G K1A C4G 27.13(16) 1_456 1_456 ? C1A K1A C4G 164.80(19) . 1_456 ? C5A K1A C4G 163.77(19) . 1_456 ? C2G K1A C4G 46.57(17) 1_456 1_456 ? C3G K1A C4G 27.63(16) 1_456 1_456 ? C2A K1A C4A 46.75(17) . . ? C3A K1A C4A 27.62(15) . . ? C1G K1A C4A 135.23(18) 1_456 . ? C5G K1A C4A 127.33(18) 1_456 . ? C1A K1A C4A 46.43(17) . . ? C5A K1A C4A 27.52(16) . . ? C2G K1A C4A 160.91(18) 1_456 . ? C3G K1A C4A 165.04(19) 1_456 . ? C4G K1A C4A 138.19(19) 1_456 . ? C2A K1A C10A 55.98(16) . . ? C3A K1A C10A 75.83(16) . . ? C1G K1A C10A 123.22(17) 1_456 . ? C5G K1A C10A 118.74(18) 1_456 . ? C1A K1A C10A 73.06(17) . . ? C5A K1A C10A 99.05(17) . . ? C2G K1A C10A 96.44(17) 1_456 . ? C3G K1A C10A 79.13(17) 1_456 . ? C4G K1A C10A 91.97(18) 1_456 . ? C4A K1A C10A 101.45(17) . . ? C2A K1A C8G 120.82(17) . 1_456 ? C3A K1A C8G 115.93(16) . 1_456 ? C1G K1A C8G 55.53(17) 1_456 1_456 ? C5G K1A C8G 75.03(17) 1_456 1_456 ? C1A K1A C8G 93.88(17) . 1_456 ? C5A K1A C8G 76.20(17) . 1_456 ? C2G K1A C8G 72.58(16) 1_456 1_456 ? C3G K1A C8G 98.70(16) 1_456 1_456 ? C4G K1A C8G 100.45(17) 1_456 1_456 ? C4A K1A C8G 88.61(16) . 1_456 ? C10A K1A C8G 148.20(17) . 1_456 ? C5B K1B C5A 162.01(18) . . ? C5B K1B C4B 27.32(15) . . ? C5A K1B C4B 166.45(19) . . ? C5B K1B C3B 43.91(16) . . ? C5A K1B C3B 140.80(19) . . ? C4B K1B C3B 27.44(15) . . ? C5B K1B C4A 144.15(18) . . ? C5A K1B C4A 27.51(16) . . ? C4B K1B C4A 165.00(19) . . ? C3B K1B C4A 167.45(18) . . ? C5B K1B C1A 169.49(18) . . ? C5A K1B C1A 27.34(16) . . ? C4B K1B C1A 142.23(18) . . ? C3B K1B C1A 126.89(18) . . ? C4A K1B C1A 46.02(17) . . ? C5B K1B C3A 140.92(18) . . ? C5A K1B C3A 43.98(17) . . ? C4B K1B C3A 142.38(17) . . ? C3B K1B C3A 159.52(18) . . ? C4A K1B C3A 27.31(15) . . ? C1A K1B C3A 44.87(17) . . ? C5B K1B C1B 27.05(15) . . ? C5A K1B C1B 137.38(18) . . ? C4B K1B C1B 45.63(16) . . ? C3B K1B C1B 44.62(17) . . ? C4A K1B C1B 135.36(17) . . ? C1A K1B C1B 154.43(18) . . ? C3A K1B C1B 152.55(18) . . ? C5B K1B C2B 44.85(17) . . ? C5A K1B C2B 128.35(18) . . ? C4B K1B C2B 45.82(16) . . ? C3B K1B C2B 27.06(15) . . ? C4A K1B C2B 144.74(17) . . ? C1A K1B C2B 130.84(18) . . ? C3A K1B C2B 171.78(17) . . ? C1B K1B C2B 27.89(14) . . ? C5B K1B C2A 150.62(17) . . ? C5A K1B C2A 44.78(17) . . ? C4B K1B C2A 132.64(17) . . ? C3B K1B C2A 135.02(18) . . ? C4A K1B C2A 45.69(16) . . ? C1A K1B C2A 27.84(15) . . ? C3A K1B C2A 27.06(15) . . ? C1B K1B C2A 177.65(17) . . ? C2B K1B C2A 153.20(18) . . ? C5B K1C C1C 173.15(18) . . ? C5B K1C C5C 146.31(18) . . ? C1C K1C C5C 27.73(16) . . ? C5B K1C C1B 27.39(15) . . ? C1C K1C C1B 148.00(18) . . ? C5C K1C C1B 133.65(18) . . ? C5B K1C C2C 156.40(18) . . ? C1C K1C C2C 28.66(16) . . ? C5C K1C C2C 45.44(17) . . ? C1B K1C C2C 175.66(18) . . ? C5B K1C C4B 27.28(15) . . ? C1C K1C C4B 159.39(19) . . ? C5C K1C C4B 169.98(18) . . ? C1B K1C C4B 45.90(16) . . ? C2C K1C C4B 136.01(18) . . ? C5B K1C C3B 43.92(16) . . ? C1C K1C C3B 140.20(18) . . ? C5C K1C C3B 162.33(18) . . ? C1B K1C C3B 44.96(17) . . ? C2C K1C C3B 134.09(18) . . ? C4B K1C C3B 27.28(15) . . ? C5B K1C C3C 136.21(18) . . ? C1C K1C C3C 45.18(17) . . ? C5C K1C C3C 43.75(17) . . ? C1B K1C C3C 156.66(18) . . ? C2C K1C C3C 27.10(16) . . ? C4B K1C C3C 131.24(18) . . ? C3B K1C C3C 147.11(18) . . ? C5B K1C C2B 45.14(17) . . ? C1C K1C C2B 134.57(18) . . ? C5C K1C C2B 140.33(18) . . ? C1B K1C C2B 28.24(15) . . ? C2C K1C C2B 148.43(18) . . ? C4B K1C C2B 45.83(16) . . ? C3B K1C C2B 27.12(15) . . ? C3C K1C C2B 173.41(18) . . ? C5B K1C C4C 130.73(18) . . ? C1C K1C C4C 46.30(17) . . ? C5C K1C C4C 27.38(16) . . ? C1B K1C C4C 136.08(18) . . ? C2C K1C C4C 45.86(17) . . ? C4B K1C C4C 143.38(18) . . ? C3B K1C C4C 170.07(19) . . ? C3C K1C C4C 26.94(16) . . ? C2B K1C C4C 159.51(19) . . ? C4D K1D C1C 163.9(2) . . ? C4D K1D C5C 166.1(2) . . ? C1C K1D C5C 27.80(16) . . ? C4D K1D C5D 27.95(17) . . ? C1C K1D C5D 168.0(2) . . ? C5C K1D C5D 140.43(19) . . ? C4D K1D C3D 27.29(16) . . ? C1C K1D C3D 145.25(19) . . ? C5C K1D C3D 163.00(19) . . ? C5D K1D C3D 44.21(17) . . ? C4D K1D C2C 139.42(18) . . ? C1C K1D C2C 28.50(16) . . ? C5C K1D C2C 45.27(17) . . ? C5D K1D C2C 155.72(19) . . ? C3D K1D C2C 140.71(18) . . ? C4D K1D C3C 131.97(19) . . ? C1C K1D C3C 44.94(17) . . ? C5C K1D C3C 43.57(17) . . ? C5D K1D C3C 132.81(18) . . ? C3D K1D C3C 151.56(19) . . ? C2C K1D C3C 26.82(15) . . ? C4D K1D C4C 141.0(2) . . ? C1C K1D C4C 46.23(17) . . ? C5C K1D C4C 27.35(16) . . ? C5D K1D C4C 125.10(19) . . ? C3D K1D C4C 168.15(19) . . ? C2C K1D C4C 45.53(17) . . ? C3C K1D C4C 26.75(16) . . ? C4D K1D C1D 45.74(17) . . ? C1C K1D C1D 147.16(18) . . ? C5C K1D C1D 129.20(18) . . ? C5D K1D C1D 26.91(15) . . ? C3D K1D C1D 44.51(18) . . ? C2C K1D C1D 174.46(18) . . ? C3C K1D C1D 150.79(18) . . ? C4C K1D C1D 129.88(19) . . ? C4D K1D C2D 45.59(17) . . ? C1C K1D C2D 137.74(18) . . ? C5C K1D C2D 138.39(18) . . ? C5D K1D C2D 44.60(17) . . ? C3D K1D C2D 27.00(16) . . ? C2C K1D C2D 155.26(18) . . ? C3C K1D C2D 177.32(18) . . ? C4C K1D C2D 153.55(19) . . ? C1D K1D C2D 27.49(15) . . ? C4D K1D Si1C 146.72(16) . . ? C1C K1D Si1C 26.84(13) . . ? C5C K1D Si1C 47.01(13) . . ? C5D K1D Si1C 154.46(14) . . ? C3D K1D Si1C 120.54(14) . . ? C2C K1D Si1C 49.81(13) . . ? C3C K1D Si1C 71.27(13) . . ? C4C K1D Si1C 71.31(13) . . ? C1D K1D Si1C 127.97(13) . . ? C2D K1D Si1C 111.40(13) . . ? C3D K1E C2E 168.3(2) . . ? C3D K1E C4D 27.49(16) . . ? C2E K1E C4D 164.2(2) . . ? C3D K1E C3E 141.06(19) . . ? C2E K1E C3E 27.43(16) . . ? C4D K1E C3E 167.5(2) . . ? C3D K1E C1E 156.3(2) . . ? C2E K1E C1E 28.16(17) . . ? C4D K1E C1E 141.24(19) . . ? C3E K1E C1E 44.94(18) . . ? C3D K1E C5D 44.03(17) . . ? C2E K1E C5D 144.39(19) . . ? C4D K1E C5D 27.49(16) . . ? C3E K1E C5D 159.71(19) . . ? C1E K1E C5D 142.49(19) . . ? C3D K1E C5E 133.3(2) . . ? C2E K1E C5E 44.72(19) . . ? C4D K1E C5E 134.35(19) . . ? C3E K1E C5E 43.55(18) . . ? C1E K1E C5E 26.90(17) . . ? C5D K1E C5E 154.88(19) . . ? C3D K1E C2D 27.36(16) . . ? C2E K1E C2D 146.04(19) . . ? C4D K1E C2D 45.72(16) . . ? C3E K1E C2D 127.71(18) . . ? C1E K1E C2D 172.63(19) . . ? C5D K1E C2D 44.29(17) . . ? C5E K1E C2D 149.7(2) . . ? C3D K1E C4E 126.14(19) . . ? C2E K1E C4E 45.50(18) . . ? C4D K1E C4E 143.6(2) . . ? C3E K1E C4E 27.04(16) . . ? C1E K1E C4E 45.13(18) . . ? C5D K1E C4E 170.08(19) . . ? C5E K1E C4E 26.65(17) . . ? C2D K1E C4E 128.65(19) . . ? C3D K1E C1D 44.69(18) . . ? C2E K1E C1D 136.58(19) . . ? C4D K1E C1D 45.41(17) . . ? C3E K1E C1D 135.83(18) . . ? C1E K1E C1D 155.71(19) . . ? C5D K1E C1D 26.52(15) . . ? C5E K1E C1D 177.2(2) . . ? C2D K1E C1D 27.50(15) . . ? C4E K1E C1D 151.13(19) . . ? C3D K1E C10E 129.85(19) . . ? C2E K1E C10E 55.43(18) . . ? C4D K1E C10E 115.4(2) . . ? C3E K1E C10E 76.03(18) . . ? C1E K1E C10E 70.82(19) . . ? C5D K1E C10E 89.38(18) . . ? C5E K1E C10E 96.54(19) . . ? C2D K1E C10E 109.47(18) . . ? C4E K1E C10E 100.29(18) . . ? C1D K1E C10E 85.66(17) . . ? C3D K1E Si2E 153.57(14) . . ? C2E K1E Si2E 27.59(14) . . ? C4D K1E Si2E 144.52(16) . . ? C3E K1E Si2E 47.22(13) . . ? C1E K1E Si2E 50.08(15) . . ? C5D K1E Si2E 118.25(14) . . ? C5E K1E Si2E 71.78(14) . . ? C2D K1E Si2E 127.04(14) . . ? C4E K1E Si2E 71.29(13) . . ? C1D K1E Si2E 109.83(13) . . ? C10E K1E Si2E 29.10(12) . . ? C1E K1F C3F 162.5(2) . . ? C1E K1F C2F 169.8(2) . . ? C3F K1F C2F 27.56(16) . . ? C1E K1F C2E 28.19(17) . . ? C3F K1F C2E 166.3(2) . . ? C2F K1F C2E 141.7(2) . . ? C1E K1F C1F 148.3(2) . . ? C3F K1F C1F 45.17(18) . . ? C2F K1F C1F 28.20(17) . . ? C2E K1F C1F 131.96(19) . . ? C1E K1F C5E 27.32(17) . . ? C3F K1F C5E 138.8(2) . . ? C2F K1F C5E 156.1(2) . . ? C2E K1F C5E 44.96(19) . . ? C1F K1F C5E 175.5(2) . . ? C1E K1F C3E 44.97(18) . . ? C3F K1F C3E 141.32(19) . . ? C2F K1F C3E 127.57(19) . . ? C2E K1F C3E 27.17(16) . . ? C1F K1F C3E 135.81(18) . . ? C5E K1F C3E 43.77(18) . . ? C1E K1F C5F 138.90(19) . . ? C3F K1F C5F 43.69(18) . . ? C2F K1F C5F 44.66(18) . . ? C2E K1F C5F 142.37(19) . . ? C1F K1F C5F 26.83(16) . . ? C5E K1F C5F 152.1(2) . . ? C3E K1F C5F 160.24(19) . . ? C1E K1F C4F 143.09(19) . . ? C3F K1F C4F 27.24(16) . . ? C2F K1F C4F 45.87(16) . . ? C2E K1F C4F 165.17(19) . . ? C1F K1F C4F 45.62(17) . . ? C5E K1F C4F 136.14(19) . . ? C3E K1F C4F 167.55(19) . . ? C5F K1F C4F 27.05(16) . . ? C1E K1F C4E 45.67(18) . . ? C3F K1F C4E 129.35(19) . . ? C2F K1F C4E 132.6(2) . . ? C2E K1F C4E 45.59(18) . . ? C1F K1F C4E 155.3(2) . . ? C5E K1F C4E 27.04(17) . . ? C3E K1F C4E 27.12(16) . . ? C5F K1F C4E 171.8(2) . . ? C4F K1F C4E 144.78(19) . . ? C1E K1F C8E 55.6(2) . . ? C3F K1F C8E 119.7(2) . . ? C2F K1F C8E 128.0(2) . . ? C2E K1F C8E 73.4(2) . . ? C1F K1F C8E 102.4(2) . . ? C5E K1F C8E 74.0(2) . . ? C3E K1F C8E 98.6(2) . . ? C5F K1F C8E 83.7(2) . . ? C4F K1F C8E 92.5(2) . . ? C4E K1F C8E 99.5(2) . . ? C1E K1F Si1E 27.00(13) . . ? C3F K1F Si1E 143.71(14) . . ? C2F K1F Si1E 156.92(15) . . ? C2E K1F Si1E 49.98(14) . . ? C1F K1F Si1E 129.84(15) . . ? C5E K1F Si1E 46.10(16) . . ? C3E K1F Si1E 71.60(14) . . ? C5F K1F Si1E 112.73(14) . . ? C4F K1F Si1E 117.84(13) . . ? C4E K1F Si1E 70.51(15) . . ? C8E K1F Si1E 29.09(16) . . ? C3G K1G C2F 161.94(19) . . ? C3G K1G C2G 28.02(16) . . ? C2F K1G C2G 146.31(19) . . ? C3G K1G C1F 160.93(19) . . ? C2F K1G C1F 28.30(17) . . ? C2G K1G C1F 170.60(19) . . ? C3G K1G C5F 135.31(19) . . ? C2F K1G C5F 45.07(18) . . ? C2G K1G C5F 162.19(19) . . ? C1F K1G C5F 27.11(16) . . ? C3G K1G C5G 43.93(17) . . ? C2F K1G C5G 153.18(19) . . ? C2G K1G C5G 45.18(17) . . ? C1F K1G C5G 134.41(19) . . ? C5F K1G C5G 134.69(19) . . ? C3G K1G C1G 45.36(17) . . ? C2F K1G C1G 142.79(19) . . ? C2G K1G C1G 28.10(16) . . ? C1F K1G C1G 145.70(19) . . ? C5F K1G C1G 160.6(2) . . ? C5G K1G C1G 27.40(16) . . ? C3G K1G C3F 135.77(19) . . ? C2F K1G C3F 27.45(16) . . ? C2G K1G C3F 135.73(19) . . ? C1F K1G C3F 45.06(18) . . ? C5F K1G C3F 43.83(18) . . ? C5G K1G C3F 178.22(19) . . ? C1G K1G C3F 154.26(19) . . ? C3G K1G C4G 27.65(16) . . ? C2F K1G C4G 167.08(19) . . ? C2G K1G C4G 46.58(17) . . ? C1F K1G C4G 138.96(19) . . ? C5F K1G C4G 123.08(19) . . ? C5G K1G C4G 26.91(15) . . ? C1G K1G C4G 45.98(17) . . ? C3F K1G C4G 151.75(19) . . ? C3G K1G C4F 123.88(18) . . ? C2F K1G C4F 45.84(17) . . ? C2G K1G C4F 140.93(18) . . ? C1F K1G C4F 45.65(17) . . ? C5F K1G C4F 27.19(16) . . ? C5G K1G C4F 151.14(19) . . ? C1G K1G C4F 168.63(19) . . ? C3F K1G C4F 27.09(16) . . ? C4G K1G C4F 127.54(18) . . ? C1A Si1A C7A 110.0(3) . . ? C1A Si1A C6A 113.4(3) . . ? C7A Si1A C6A 106.7(3) . . ? C1A Si1A C8A 110.8(3) . . ? C7A Si1A C8A 107.7(3) . . ? C6A Si1A C8A 108.0(3) . . ? C2A Si2A C9A 114.7(3) . . ? C2A Si2A C11A 109.1(3) . . ? C9A Si2A C11A 107.4(3) . . ? C2A Si2A C10A 109.1(3) . . ? C9A Si2A C10A 109.0(3) . . ? C11A Si2A C10A 107.4(3) . . ? C2A Si2A K1A 47.0(2) . . ? C9A Si2A K1A 141.5(2) . . ? C11A Si2A K1A 110.8(2) . . ? C10A Si2A K1A 63.8(2) . . ? C4A Si3A C14A 110.8(4) . . ? C4A Si3A C13A 109.5(4) . . ? C14A Si3A C13A 109.2(4) . . ? C4A Si3A C12A 110.0(4) . . ? C14A Si3A C12A 107.5(5) . . ? C13A Si3A C12A 109.8(4) . . ? C5A C1A C2A 106.1(5) . . ? C5A C1A Si1A 122.7(5) . . ? C2A C1A Si1A 131.1(5) . . ? C5A C1A K1A 76.7(4) . . ? C2A C1A K1A 74.2(4) . . ? Si1A C1A K1A 117.7(3) . . ? C5A C1A K1B 74.9(4) . . ? C2A C1A K1B 77.7(3) . . ? Si1A C1A K1B 110.0(3) . . ? K1A C1A K1B 132.1(2) . . ? C3A C2A C1A 106.0(5) . . ? C3A C2A Si2A 122.0(5) . . ? C1A C2A Si2A 131.5(5) . . ? C3A C2A K1A 76.7(4) . . ? C1A C2A K1A 77.1(3) . . ? Si2A C2A K1A 105.7(3) . . ? C3A C2A K1B 74.9(4) . . ? C1A C2A K1B 74.5(3) . . ? Si2A C2A K1B 122.2(3) . . ? K1A C2A K1B 131.9(2) . . ? C2A C3A C4A 111.9(6) . . ? C2A C3A K1A 75.3(4) . . ? C4A C3A K1A 78.7(4) . . ? C2A C3A K1B 78.0(4) . . ? C4A C3A K1B 76.2(4) . . ? K1A C3A K1B 132.8(2) . . ? C3A C4A C5A 104.0(6) . . ? C3A C4A Si3A 126.2(5) . . ? C5A C4A Si3A 129.8(5) . . ? C3A C4A K1A 73.7(4) . . ? C5A C4A K1A 75.0(4) . . ? Si3A C4A K1A 115.1(3) . . ? C3A C4A K1B 76.5(4) . . ? C5A C4A K1B 74.8(4) . . ? Si3A C4A K1B 114.7(3) . . ? K1A C4A K1B 130.2(2) . . ? C1A C5A C4A 112.0(6) . . ? C1A C5A K1B 77.8(4) . . ? C4A C5A K1B 77.7(4) . . ? C1A C5A K1A 75.7(4) . . ? C4A C5A K1A 77.5(4) . . ? K1B C5A K1A 133.2(2) . . ? C1B Si1B C6B 109.3(3) . . ? C1B Si1B C8B 111.9(3) . . ? C6B Si1B C8B 107.4(3) . . ? C1B Si1B C7B 110.9(3) . . ? C6B Si1B C7B 107.4(3) . . ? C8B Si1B C7B 109.8(4) . . ? C2B Si2B C11B 109.0(3) . . ? C2B Si2B C10B 111.3(3) . . ? C11B Si2B C10B 107.0(3) . . ? C2B Si2B C9B 115.0(3) . . ? C11B Si2B C9B 107.8(3) . . ? C10B Si2B C9B 106.4(3) . . ? C4B Si3B C14B 111.6(3) . . ? C4B Si3B C12B 108.6(3) . . ? C14B Si3B C12B 109.7(3) . . ? C4B Si3B C13B 110.3(3) . . ? C14B Si3B C13B 107.6(3) . . ? C12B Si3B C13B 109.0(3) . . ? C5B C1B C2B 106.1(5) . . ? C5B C1B Si1B 122.1(5) . . ? C2B C1B Si1B 131.7(5) . . ? C5B C1B K1C 75.2(3) . . ? C2B C1B K1C 77.5(3) . . ? Si1B C1B K1C 110.3(3) . . ? C5B C1B K1B 73.8(4) . . ? C2B C1B K1B 76.4(3) . . ? Si1B C1B K1B 117.6(3) . . ? K1C C1B K1B 131.5(2) . . ? C3B C2B C1B 105.2(5) . . ? C3B C2B Si2B 123.2(5) . . ? C1B C2B Si2B 131.3(5) . . ? C3B C2B K1C 75.6(4) . . ? C1B C2B K1C 74.3(3) . . ? Si2B C2B K1C 120.1(3) . . ? C3B C2B K1B 74.3(4) . . ? C1B C2B K1B 75.7(3) . . ? Si2B C2B K1B 110.4(3) . . ? K1C C2B K1B 129.4(2) . . ? C2B C3B C4B 112.1(6) . . ? C2B C3B K1B 78.7(4) . . ? C4B C3B K1B 75.9(4) . . ? C2B C3B K1C 77.3(4) . . ? C4B C3B K1C 76.3(4) . . ? K1B C3B K1C 132.6(2) . . ? C5B C4B C3B 104.3(5) . . ? C5B C4B Si3B 125.0(5) . . ? C3B C4B Si3B 130.6(5) . . ? C5B C4B K1B 75.9(4) . . ? C3B C4B K1B 76.7(4) . . ? Si3B C4B K1B 112.8(3) . . ? C5B C4B K1C 74.5(4) . . ? C3B C4B K1C 76.4(4) . . ? Si3B C4B K1C 113.9(3) . . ? K1B C4B K1C 133.1(2) . . ? C4B C5B C1B 112.2(6) . . ? C4B C5B K1C 78.2(4) . . ? C1B C5B K1C 77.4(4) . . ? C4B C5B K1B 76.8(4) . . ? C1B C5B K1B 79.1(4) . . ? K1C C5B K1B 135.7(2) . . ? C1C Si1C C6C 112.9(3) . . ? C1C Si1C C7C 109.2(3) . . ? C6C Si1C C7C 108.7(4) . . ? C1C Si1C C8C 110.9(3) . . ? C6C Si1C C8C 107.8(4) . . ? C7C Si1C C8C 107.1(4) . . ? C1C Si1C K1D 47.0(2) . . ? C6C Si1C K1D 143.2(3) . . ? C7C Si1C K1D 107.5(3) . . ? C8C Si1C K1D 66.9(3) . . ? C2C Si2C C11C 109.5(3) . . ? C2C Si2C C9C 114.9(3) . . ? C11C Si2C C9C 108.4(4) . . ? C2C Si2C C10C 110.1(3) . . ? C11C Si2C C10C 106.3(4) . . ? C9C Si2C C10C 107.3(4) . . ? C12C Si3C C4C 111.6(4) . . ? C12C Si3C C14C 107.5(5) . . ? C4C Si3C C14C 110.1(3) . . ? C12C Si3C C13C 111.9(4) . . ? C4C Si3C C13C 109.5(4) . . ? C14C Si3C C13C 106.1(4) . . ? C5C C1C C2C 105.4(6) . . ? C5C C1C Si1C 122.8(5) . . ? C2C C1C Si1C 131.5(5) . . ? C5C C1C K1D 76.2(4) . . ? C2C C1C K1D 78.2(4) . . ? Si1C C1C K1D 106.2(3) . . ? C5C C1C K1C 76.5(4) . . ? C2C C1C K1C 76.9(4) . . ? Si1C C1C K1C 117.3(3) . . ? K1D C1C K1C 136.2(2) . . ? C3C C2C C1C 105.7(6) . . ? C3C C2C Si2C 121.1(5) . . ? C1C C2C Si2C 132.8(5) . . ? C3C C2C K1C 77.6(4) . . ? C1C C2C K1C 74.5(4) . . ? Si2C C2C K1C 107.9(3) . . ? C3C C2C K1D 77.8(4) . . ? C1C C2C K1D 73.3(4) . . ? Si2C C2C K1D 120.3(3) . . ? K1C C2C K1D 131.8(2) . . ? C2C C3C C4C 113.0(6) . . ? C2C C3C K1C 75.3(4) . . ? C4C C3C K1C 77.7(4) . . ? C2C C3C K1D 75.4(4) . . ? C4C C3C K1D 77.0(4) . . ? K1C C3C K1D 129.3(2) . . ? C3C C4C C5C 103.6(5) . . ? C3C C4C Si3C 125.7(5) . . ? C5C C4C Si3C 130.5(5) . . ? C3C C4C K1C 75.3(4) . . ? C5C C4C K1C 73.1(4) . . ? Si3C C4C K1C 112.1(3) . . ? C3C C4C K1D 76.2(4) . . ? C5C C4C K1D 72.2(4) . . ? Si3C C4C K1D 120.2(3) . . ? K1C C4C K1D 127.7(2) . . ? C1C C5C C4C 112.3(6) . . ? C1C C5C K1D 76.0(4) . . ? C4C C5C K1D 80.4(4) . . ? C1C C5C K1C 75.8(4) . . ? C4C C5C K1C 79.5(4) . . ? K1D C5C K1C 135.7(2) . . ? C1D Si1D C8D 114.3(3) . . ? C1D Si1D C6D 108.9(3) . . ? C8D Si1D C6D 107.5(3) . . ? C1D Si1D C7D 110.9(3) . . ? C8D Si1D C7D 107.8(3) . . ? C6D Si1D C7D 107.2(3) . . ? C10D Si2D C2D 115.5(3) . . ? C10D Si2D C9D 106.9(3) . . ? C2D Si2D C9D 108.6(3) . . ? C10D Si2D C11D 107.6(3) . . ? C2D Si2D C11D 109.8(3) . . ? C9D Si2D C11D 108.2(3) . . ? C5D C1D C2D 106.3(6) . . ? C5D C1D Si1D 122.3(5) . . ? C2D C1D Si1D 130.5(5) . . ? C5D C1D K1D 72.3(4) . . ? C2D C1D K1D 76.5(3) . . ? Si1D C1D K1D 107.7(3) . . ? C5D C1D K1E 74.5(4) . . ? C2D C1D K1E 74.5(4) . . ? Si1D C1D K1E 125.0(3) . . ? K1D C1D K1E 126.9(2) . . ? C3D C2D C1D 105.9(6) . . ? C3D C2D Si2D 122.1(5) . . ? C1D C2D Si2D 130.9(5) . . ? C3D C2D K1E 72.1(4) . . ? C1D C2D K1E 78.0(3) . . ? Si2D C2D K1E 105.6(3) . . ? C3D C2D K1D 73.4(4) . . ? C1D C2D K1D 76.0(3) . . ? Si2D C2D K1D 125.1(3) . . ? K1E C2D K1D 128.4(2) . . ? C4D C3D C2D 111.8(6) . . ? C4D C3D K1E 77.5(4) . . ? C2D C3D K1E 80.5(4) . . ? C4D C3D K1D 74.7(4) . . ? C2D C3D K1D 79.6(4) . . ? K1E C3D K1D 136.5(2) . . ? C3D C4D C5D 104.6(5) . . ? C3D C4D Si3D 128.5(6) . . ? C5D C4D Si3D 126.9(5) . . ? C3D C4D K1D 78.0(4) . . ? C5D C4D K1D 76.3(4) . . ? Si3D C4D K1D 110.5(3) . . ? C3D C4D K1E 75.0(4) . . ? C5D C4D K1E 78.9(4) . . ? Si3D C4D K1E 112.5(3) . . ? K1D C4D K1E 137.0(2) . . ? C1D C5D C4D 111.4(6) . . ? C1D C5D K1D 80.8(4) . . ? C4D C5D K1D 75.7(4) . . ? C1D C5D K1E 78.9(4) . . ? C4D C5D K1E 73.7(4) . . ? K1D C5D K1E 133.5(2) . . ? C7E Si1E C1E 110.1(4) . . ? C7E Si1E C6E 110.2(5) . . ? C1E Si1E C6E 115.0(4) . . ? C7E Si1E C8E 104.5(5) . . ? C1E Si1E C8E 109.6(4) . . ? C6E Si1E C8E 106.9(5) . . ? C7E Si1E K1F 111.1(4) . . ? C1E Si1E K1F 47.1(2) . . ? C6E Si1E K1F 138.7(4) . . ? C8E Si1E K1F 63.7(3) . . ? C2E Si2E C9E 113.8(3) . . ? C2E Si2E C11E 109.5(4) . . ? C9E Si2E C11E 108.0(4) . . ? C2E Si2E C10E 110.3(3) . . ? C9E Si2E C10E 107.9(4) . . ? C11E Si2E C10E 107.0(4) . . ? C2E Si2E K1E 47.9(2) . . ? C9E Si2E K1E 145.1(3) . . ? C11E Si2E K1E 106.6(3) . . ? C10E Si2E K1E 65.8(2) . . ? C5E C1E C2E 106.4(6) . . ? C5E C1E Si1E 120.1(6) . . ? C2E C1E Si1E 133.1(6) . . ? C5E C1E K1F 77.6(4) . . ? C2E C1E K1F 76.8(4) . . ? Si1E C1E K1F 105.9(3) . . ? C5E C1E K1E 78.7(4) . . ? C2E C1E K1E 74.4(4) . . ? Si1E C1E K1E 118.8(3) . . ? K1F C1E K1E 135.3(2) . . ? C3E C2E C1E 106.4(6) . . ? C3E C2E Si2E 121.9(5) . . ? C1E C2E Si2E 131.2(5) . . ? C3E C2E K1E 77.9(4) . . ? C1E C2E K1E 77.5(4) . . ? Si2E C2E K1E 104.5(3) . . ? C3E C2E K1F 77.9(4) . . ? C1E C2E K1F 75.0(4) . . ? Si2E C2E K1F 119.4(3) . . ? K1E C2E K1F 136.1(3) . . ? C2E C3E C4E 111.3(6) . . ? C2E C3E K1E 74.7(4) . . ? C4E C3E K1E 80.3(4) . . ? C2E C3E K1F 74.9(4) . . ? C4E C3E K1F 77.8(4) . . ? K1E C3E K1F 132.5(2) . . ? C5E C4E C3E 104.1(6) . . ? C5E C4E Si3E 125.6(6) . . ? C3E C4E Si3E 130.2(6) . . ? C5E C4E K1F 73.9(4) . . ? C3E C4E K1F 75.0(4) . . ? Si3E C4E K1F 113.3(3) . . ? C5E C4E K1E 74.9(4) . . ? C3E C4E K1E 72.6(4) . . ? Si3E C4E K1E 119.6(3) . . ? K1F C4E K1E 127.1(2) . . ? C1E C5E C4E 111.8(6) . . ? C1E C5E K1F 75.1(4) . . ? C4E C5E K1F 79.1(4) . . ? C1E C5E K1E 74.4(4) . . ? C4E C5E K1E 78.4(4) . . ? K1F C5E K1E 131.5(2) . . ? C1F Si1F C7F 109.9(4) . . ? C1F Si1F C8F 110.8(4) . . ? C7F Si1F C8F 107.2(4) . . ? C1F Si1F C6F 112.3(4) . . ? C7F Si1F C6F 108.2(4) . . ? C8F Si1F C6F 108.2(4) . . ? C2F Si2F C11F 109.2(3) . . ? C2F Si2F C10F 113.4(4) . . ? C11F Si2F C10F 107.7(4) . . ? C2F Si2F C9F 110.3(3) . . ? C11F Si2F C9F 108.2(4) . . ? C10F Si2F C9F 108.0(4) . . ? C4F Si3F C13F 111.1(3) . . ? C4F Si3F C14F 109.1(3) . . ? C13F Si3F C14F 107.8(4) . . ? C4F Si3F C12F 109.8(3) . . ? C13F Si3F C12F 109.4(4) . . ? C14F Si3F C12F 109.6(4) . . ? C5F C1F C2F 106.2(6) . . ? C5F C1F Si1F 122.0(6) . . ? C2F C1F Si1F 131.2(5) . . ? C5F C1F K1G 76.6(4) . . ? C2F C1F K1G 75.4(4) . . ? Si1F C1F K1G 107.4(3) . . ? C5F C1F K1F 78.0(4) . . ? C2F C1F K1F 75.2(4) . . ? Si1F C1F K1F 119.2(3) . . ? K1G C1F K1F 133.4(2) . . ? C3F C2F C1F 105.9(6) . . ? C3F C2F Si2F 121.0(5) . . ? C1F C2F Si2F 132.8(5) . . ? C3F C2F K1G 77.4(4) . . ? C1F C2F K1G 76.3(4) . . ? Si2F C2F K1G 117.1(3) . . ? C3F C2F K1F 76.1(4) . . ? C1F C2F K1F 76.6(4) . . ? Si2F C2F K1F 107.9(3) . . ? K1G C2F K1F 134.8(2) . . ? C2F C3F C4F 111.7(6) . . ? C2F C3F K1F 76.4(4) . . ? C4F C3F K1F 79.1(4) . . ? C2F C3F K1G 75.1(4) . . ? C4F C3F K1G 78.4(4) . . ? K1F C3F K1G 133.6(2) . . ? C3F C4F C5F 103.8(6) . . ? C3F C4F Si3F 127.4(5) . . ? C5F C4F Si3F 128.8(5) . . ? C3F C4F K1F 73.6(4) . . ? C5F C4F K1F 76.0(4) . . ? Si3F C4F K1F 113.3(3) . . ? C3F C4F K1G 74.5(4) . . ? C5F C4F K1G 73.8(4) . . ? Si3F C4F K1G 118.1(3) . . ? K1F C4F K1G 128.6(2) . . ? C1F C5F C4F 112.3(6) . . ? C1F C5F K1G 76.3(4) . . ? C4F C5F K1G 79.0(4) . . ? C1F C5F K1F 75.2(4) . . ? C4F C5F K1F 77.0(4) . . ? K1G C5F K1F 131.8(2) . . ? C1G Si1G C6G 109.3(3) . . ? C1G Si1G C7G 114.1(3) . . ? C6G Si1G C7G 107.8(3) . . ? C1G Si1G C8G 108.9(3) . . ? C6G Si1G C8G 108.0(3) . . ? C7G Si1G C8G 108.5(3) . . ? C1G Si1G K1A 46.9(2) . 1_654 ? C6G Si1G K1A 111.4(2) . 1_654 ? C7G Si1G K1A 140.4(3) . 1_654 ? C8G Si1G K1A 63.8(2) . 1_654 ? C2G Si2G C11G 110.0(3) . . ? C2G Si2G C9G 113.8(3) . . ? C11G Si2G C9G 108.5(3) . . ? C2G Si2G C10G 109.4(3) . . ? C11G Si2G C10G 107.3(3) . . ? C9G Si2G C10G 107.5(3) . . ? C14G Si3G C4G 111.7(4) . . ? C14G Si3G C13G 111.9(5) . . ? C4G Si3G C13G 108.9(4) . . ? C14G Si3G C12G 106.8(5) . . ? C4G Si3G C12G 111.3(4) . . ? C13G Si3G C12G 106.0(5) . . ? C5G C1G C2G 106.0(6) . . ? C5G C1G Si1G 121.3(5) . . ? C2G C1G Si1G 132.1(5) . . ? C5G C1G K1A 76.1(4) . 1_654 ? C2G C1G K1A 77.2(4) . 1_654 ? Si1G C1G K1A 106.0(3) . 1_654 ? C5G C1G K1G 76.0(4) . . ? C2G C1G K1G 75.0(4) . . ? Si1G C1G K1G 121.0(3) . . ? K1A C1G K1G 132.8(2) 1_654 . ? C3G C2G C1G 105.7(5) . . ? C3G C2G Si2G 121.9(5) . . ? C1G C2G Si2G 132.2(5) . . ? C3G C2G K1G 75.9(4) . . ? C1G C2G K1G 77.0(4) . . ? Si2G C2G K1G 108.7(3) . . ? C3G C2G K1A 76.2(4) . 1_654 ? C1G C2G K1A 74.5(4) . 1_654 ? Si2G C2G K1A 118.7(3) . 1_654 ? K1G C2G K1A 132.4(2) . 1_654 ? C4G C3G C2G 111.4(6) . . ? C4G C3G K1G 78.3(4) . . ? C2G C3G K1G 76.1(4) . . ? C4G C3G K1A 77.1(4) . 1_654 ? C2G C3G K1A 75.9(4) . 1_654 ? K1G C3G K1A 132.3(2) . 1_654 ? C5G C4G C3G 103.8(6) . . ? C5G C4G Si3G 129.2(6) . . ? C3G C4G Si3G 127.0(5) . . ? C5G C4G K1A 74.0(4) . 1_654 ? C3G C4G K1A 75.3(4) . 1_654 ? Si3G C4G K1A 113.6(3) . 1_654 ? C5G C4G K1G 75.2(4) . . ? C3G C4G K1G 74.1(4) . . ? Si3G C4G K1G 117.3(3) . . ? K1A C4G K1G 129.1(2) 1_654 . ? C4G C5G C1G 113.2(6) . . ? C4G C5G K1A 78.9(4) . 1_654 ? C1G C5G K1A 76.1(4) . 1_654 ? C4G C5G K1G 77.9(4) . . ? C1G C5G K1G 76.6(4) . . ? K1A C5G K1G 133.2(2) 1_654 . ? Si2A C10A K1A 86.8(2) . . ? C12D Si3D C4D 114.0(6) . . ? C12D Si3D C14D 114.9(6) . . ? C4D Si3D C14D 109.6(6) . . ? C12D Si3D C13D 109.3(6) . . ? C4D Si3D C13D 105.5(6) . . ? C14D Si3D C13D 102.5(5) . . ? Si1E C8E K1F 87.2(3) . . ? Si2E C10E K1E 85.1(2) . . ? C12E Si3E C4E 117.8(7) . . ? C12E Si3E C14E 110.3(9) . . ? C4E Si3E C14E 110.0(9) . . ? C12E Si3E C13E 103.7(8) . . ? C4E Si3E C13E 108.3(6) . . ? C14E Si3E C13E 105.9(9) . . ? Si1G C8G K1A 87.2(2) . 1_654 ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.05 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.427 _refine_diff_density_min -0.385 _refine_diff_density_rms 0.065