data_shelxl _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C30 H32 N2 O2 Si1' _chemical_formula_sum 'C30 H32 N2 O2 Si1' _chemical_formula_weight 480.66 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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 11.1004(9) _cell_length_b 11.3249(9) _cell_length_c 22.3211(18) _cell_angle_alpha 76.401(2) _cell_angle_beta 83.103(2) _cell_angle_gamma 74.218(3) _cell_volume 2619.8(4) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9191 _cell_measurement_theta_min 3.03 _cell_measurement_theta_max 27.48 _exptl_crystal_description 'Prism' _exptl_crystal_colour 'Yellow' _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.219 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1024 _exptl_absorpt_coefficient_mu 0.119 _exptl_absorpt_correction_type 'Multi-scan' _exptl_absorpt_correction_T_min 0.6977 _exptl_absorpt_correction_T_max 1.00 _exptl_absorpt_process_details ; Abscor. T. Higashi. (2001). Rigaku Corp. Tokyo, Japan ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(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 'Rigaku AFC-12 with Saturn 724+ CCD' _diffrn_measurement_method \w-scans _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 28748 _diffrn_reflns_av_R_equivalents 0.0644 _diffrn_reflns_av_sigmaI/netI 0.0694 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 3.03 _diffrn_reflns_theta_max 25.00 _reflns_number_total 9191 _reflns_number_gt 6716 _reflns_threshold_expression >2sigma(I) _publ_section_references ; Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. Sir97. (1999) J. Appl. Cryst. 32, 115-119. Farrugia, L. J. (1999) J. Appl. Cryst., 32, 837-838. An Integrated System of Windows Programs for the Solution, Refinement and Analysis of Single Crystal X-ray Diffraction Data. Sheldrick, G. M. (2008). SHELXL-97. Acat Cryst., A64, 112-122. Spek, A. L. (1998) PLATON, A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, The Netherlands. ; _publ_section_acknowledgements ; The data were collected using instrumentation purchased with funds provided by the National Science Foundation Grant No. 0741973. ; _computing_data_collection 'CrystalClear (Rigaku Inc., 2008)' _computing_cell_refinement 'CrystalClear (Rigaku Inc., 2008)' _computing_data_reduction 'CrystalClear (Rigaku Inc., 2008)' _computing_structure_solution ; SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. ; _computing_structure_refinement 'XL SHELXTL/PC, Siemens Analytical' _computing_molecular_graphics 'XP SHELXTL/PC, Siemens Analytical' _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0640P)^2^+1.6339P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9191 _refine_ls_number_parameters 649 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0891 _refine_ls_R_factor_gt 0.0621 _refine_ls_wR_factor_ref 0.1602 _refine_ls_wR_factor_gt 0.1459 _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_restrained_S_all 1.069 _refine_ls_shift/su_max 0.002 _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 C1 C 0.1601(2) 0.1460(2) 0.30405(12) 0.0214(6) Uani 1 1 d . . . C2 C 0.0455(3) 0.0931(3) 0.31932(12) 0.0231(6) Uani 1 1 d . . . C3 C -0.0792(3) 0.1498(3) 0.31596(13) 0.0285(7) Uani 1 1 d . . . H3 H -0.1074 0.2378 0.3010 0.034 Uiso 1 1 calc R . . C4 C -0.1665(3) 0.0750(3) 0.33519(14) 0.0353(7) Uani 1 1 d . . . H4 H -0.2537 0.1148 0.3338 0.042 Uiso 1 1 calc R . . C5 C -0.1294(3) -0.0524(3) 0.35565(14) 0.0377(8) Uani 1 1 d . . . H5 H -0.1906 -0.0994 0.3678 0.045 Uiso 1 1 calc R . . C6 C -0.0004(3) -0.1145(3) 0.35886(13) 0.0314(7) Uani 1 1 d . . . C7 C 0.0842(3) -0.0380(3) 0.34084(12) 0.0248(6) Uani 1 1 d . . . C8 C 0.0538(3) -0.2453(3) 0.37578(13) 0.0364(8) Uani 1 1 d . . . H8 H 0.0012 -0.3015 0.3879 0.044 Uiso 1 1 calc R . . C9 C 0.1815(3) -0.2914(3) 0.37483(13) 0.0353(8) Uani 1 1 d . . . H9 H 0.2148 -0.3796 0.3867 0.042 Uiso 1 1 calc R . . C10 C 0.2660(3) -0.2138(3) 0.35703(13) 0.0305(7) Uani 1 1 d . . . H10 H 0.3541 -0.2486 0.3570 0.037 Uiso 1 1 calc R . . C11 C 0.2157(3) -0.0854(3) 0.33962(12) 0.0245(6) Uani 1 1 d . . . C12 C 0.2703(3) 0.0248(2) 0.31576(12) 0.0215(6) Uani 1 1 d . . . C13 C 0.1594(2) 0.1815(2) 0.18726(12) 0.0208(6) Uani 1 1 d . . . C14 C 0.1651(2) 0.0588(2) 0.18299(13) 0.0234(6) Uani 1 1 d . . . H14 H 0.1743 -0.0058 0.2193 0.028 Uiso 1 1 calc R . . C15 C 0.1575(3) 0.0295(3) 0.12677(13) 0.0255(6) Uani 1 1 d . . . H15 H 0.1619 -0.0546 0.1251 0.031 Uiso 1 1 calc R . . C16 C 0.1435(3) 0.1221(3) 0.07288(13) 0.0240(6) Uani 1 1 d . . . C17 C 0.1374(3) 0.2446(3) 0.07638(13) 0.0281(7) Uani 1 1 d . . . H17 H 0.1277 0.3092 0.0401 0.034 Uiso 1 1 calc R . . C18 C 0.1453(2) 0.2727(3) 0.13239(13) 0.0248(6) Uani 1 1 d . . . H18 H 0.1410 0.3570 0.1338 0.030 Uiso 1 1 calc R . . C19 C 0.1608(3) -0.0237(3) 0.00880(14) 0.0393(8) Uani 1 1 d . . . H19A H 0.2453 -0.0689 0.0218 0.059 Uiso 1 1 calc R . . H19B H 0.1551 -0.0255 -0.0344 0.059 Uiso 1 1 calc R . . H19C H 0.0993 -0.0640 0.0348 0.059 Uiso 1 1 calc R . . C20 C 0.4841(3) -0.0787(2) 0.31260(13) 0.0249(6) Uani 1 1 d . . . C21 C 0.5350(3) -0.1261(3) 0.36994(14) 0.0305(7) Uani 1 1 d . . . H21 H 0.4992 -0.0879 0.4037 0.037 Uiso 1 1 calc R . . C22 C 0.6378(3) -0.2289(3) 0.37809(16) 0.0366(8) Uani 1 1 d . . . H22 H 0.6724 -0.2608 0.4174 0.044 Uiso 1 1 calc R . . C23 C 0.6906(3) -0.2857(3) 0.32876(16) 0.0359(8) Uani 1 1 d . . . C24 C 0.6391(3) -0.2404(3) 0.27193(16) 0.0362(8) Uani 1 1 d . . . H24 H 0.6734 -0.2802 0.2385 0.043 Uiso 1 1 calc R . . C25 C 0.5365(3) -0.1360(3) 0.26389(14) 0.0314(7) Uani 1 1 d . . . H25 H 0.5023 -0.1039 0.2246 0.038 Uiso 1 1 calc R . . C26 C 0.8366(3) -0.4588(3) 0.2952(2) 0.0580(11) Uani 1 1 d . . . H26A H 0.7678 -0.4902 0.2866 0.087 Uiso 1 1 calc R . . H26B H 0.9068 -0.5299 0.3099 0.087 Uiso 1 1 calc R . . H26C H 0.8640 -0.4064 0.2573 0.087 Uiso 1 1 calc R . . C27 C 0.1635(3) 0.2326(2) 0.34791(12) 0.0235(6) Uani 1 1 d . . . H27A H 0.1014 0.3129 0.3334 0.028 Uiso 1 1 calc R . . H27B H 0.2469 0.2511 0.3399 0.028 Uiso 1 1 calc R . . C28 C 0.1565(3) 0.3320(3) 0.45959(15) 0.0410(8) Uani 1 1 d . . . H28A H 0.1461 0.3186 0.5047 0.062 Uiso 1 1 calc R . . H28B H 0.0936 0.4071 0.4413 0.062 Uiso 1 1 calc R . . H28C H 0.2407 0.3434 0.4459 0.062 Uiso 1 1 calc R . . C29 C -0.0261(3) 0.1748(3) 0.45846(14) 0.0398(8) Uani 1 1 d . . . H29A H -0.0344 0.0968 0.4495 0.060 Uiso 1 1 calc R . . H29B H -0.0867 0.2463 0.4356 0.060 Uiso 1 1 calc R . . H29C H -0.0424 0.1721 0.5028 0.060 Uiso 1 1 calc R . . C30 C 0.2533(3) 0.0496(3) 0.47192(13) 0.0344(7) Uani 1 1 d . . . H30A H 0.2363 0.0346 0.5168 0.052 Uiso 1 1 calc R . . H30B H 0.3379 0.0622 0.4617 0.052 Uiso 1 1 calc R . . H30C H 0.2473 -0.0231 0.4569 0.052 Uiso 1 1 calc R . . C31 C 0.4917(2) 0.3368(2) 0.20514(12) 0.0196(6) Uani 1 1 d . . . C32 C 0.6105(3) 0.3827(2) 0.18866(12) 0.0225(6) Uani 1 1 d . . . C33 C 0.7337(3) 0.3217(3) 0.19504(14) 0.0292(7) Uani 1 1 d . . . H33 H 0.7575 0.2353 0.2145 0.035 Uiso 1 1 calc R . . C34 C 0.8258(3) 0.3890(3) 0.17229(16) 0.0380(8) Uani 1 1 d . . . H34 H 0.9117 0.3462 0.1766 0.046 Uiso 1 1 calc R . . C35 C 0.7952(3) 0.5143(3) 0.14407(16) 0.0391(8) Uani 1 1 d . . . H35 H 0.8597 0.5560 0.1288 0.047 Uiso 1 1 calc R . . C36 C 0.6680(3) 0.5811(3) 0.13776(13) 0.0295(7) Uani 1 1 d . . . C37 C 0.5786(2) 0.5119(2) 0.16052(12) 0.0223(6) Uani 1 1 d . . . C38 C 0.6190(3) 0.7114(3) 0.11355(14) 0.0342(7) Uani 1 1 d . . . H38 H 0.6750 0.7631 0.0977 0.041 Uiso 1 1 calc R . . C39 C 0.4925(3) 0.7630(3) 0.11277(13) 0.0307(7) Uani 1 1 d . . . H39 H 0.4629 0.8503 0.0962 0.037 Uiso 1 1 calc R . . C40 C 0.4041(3) 0.6913(2) 0.13566(13) 0.0263(6) Uani 1 1 d . . . H40 H 0.3166 0.7298 0.1349 0.032 Uiso 1 1 calc R . . C41 C 0.4475(3) 0.5641(2) 0.15913(12) 0.0214(6) Uani 1 1 d . . . C42 C 0.3869(2) 0.4603(2) 0.18731(12) 0.0194(6) Uani 1 1 d . . . C43 C 0.5017(3) 0.3080(2) 0.32146(12) 0.0240(6) Uani 1 1 d . . . C44 C 0.5087(3) 0.2186(3) 0.37737(13) 0.0282(7) Uani 1 1 d . . . H44 H 0.4902 0.1409 0.3786 0.034 Uiso 1 1 calc R . . C45 C 0.5415(3) 0.2407(3) 0.42984(13) 0.0325(7) Uani 1 1 d . . . H45 H 0.5438 0.1792 0.4671 0.039 Uiso 1 1 calc R . . C46 C 0.5715(3) 0.3521(3) 0.42947(14) 0.0425(8) Uani 1 1 d . . . C47 C 0.5573(3) 0.4446(3) 0.37615(14) 0.0397(8) Uani 1 1 d . . . H47 H 0.5718 0.5235 0.3761 0.048 Uiso 1 1 calc R . . C48 C 0.5222(3) 0.4239(3) 0.32283(13) 0.0297(7) Uani 1 1 d . . . H48 H 0.5120 0.4891 0.2868 0.036 Uiso 1 1 calc R . . C49 C 0.6649(5) 0.4656(4) 0.47985(19) 0.0772(15) Uani 1 1 d . . . H49A H 0.7293 0.4679 0.4458 0.116 Uiso 1 1 calc R . . H49B H 0.7025 0.4568 0.5187 0.116 Uiso 1 1 calc R . . H49C H 0.5982 0.5436 0.4725 0.116 Uiso 1 1 calc R . . C50 C 0.1758(2) 0.5728(2) 0.18357(13) 0.0221(6) Uani 1 1 d . . . C51 C 0.1241(3) 0.6139(2) 0.12594(13) 0.0240(6) Uani 1 1 d . . . H51 H 0.1561 0.5679 0.0944 0.029 Uiso 1 1 calc R . . C52 C 0.0268(2) 0.7208(2) 0.11441(13) 0.0237(6) Uani 1 1 d . . . H52 H -0.0090 0.7474 0.0754 0.028 Uiso 1 1 calc R . . C53 C -0.0186(3) 0.7894(2) 0.16009(13) 0.0263(6) Uani 1 1 d . . . C54 C 0.0323(3) 0.7505(3) 0.21747(13) 0.0298(7) Uani 1 1 d . . . H54 H 0.0016 0.7976 0.2486 0.036 Uiso 1 1 calc R . . C55 C 0.1290(3) 0.6417(3) 0.22869(13) 0.0288(7) Uani 1 1 d . . . H55 H 0.1636 0.6141 0.2680 0.035 Uiso 1 1 calc R . . C56 C -0.1600(3) 0.9716(3) 0.18912(15) 0.0364(8) Uani 1 1 d . . . H56A H -0.1901 0.9222 0.2273 0.055 Uiso 1 1 calc R . . H56B H -0.2286 1.0430 0.1727 0.055 Uiso 1 1 calc R . . H56C H -0.0909 1.0025 0.1978 0.055 Uiso 1 1 calc R . . C57 C 0.4884(3) 0.2409(2) 0.16628(12) 0.0211(6) Uani 1 1 d . . . H57A H 0.4041 0.2247 0.1751 0.025 Uiso 1 1 calc R . . H57B H 0.5485 0.1617 0.1842 0.025 Uiso 1 1 calc R . . C58 C 0.4019(3) 0.3991(3) 0.03770(13) 0.0266(6) Uani 1 1 d . . . H58A H 0.4066 0.4767 0.0485 0.040 Uiso 1 1 calc R . . H58B H 0.3177 0.3862 0.0492 0.040 Uiso 1 1 calc R . . H58C H 0.4196 0.4054 -0.0069 0.040 Uiso 1 1 calc R . . C59 C 0.6805(3) 0.2835(3) 0.05372(13) 0.0296(7) Uani 1 1 d . . . H59A H 0.6954 0.2836 0.0095 0.044 Uiso 1 1 calc R . . H59B H 0.7426 0.2140 0.0769 0.044 Uiso 1 1 calc R . . H59C H 0.6879 0.3632 0.0609 0.044 Uiso 1 1 calc R . . C60 C 0.5037(3) 0.1135(3) 0.06469(14) 0.0329(7) Uani 1 1 d . . . H60A H 0.4221 0.0995 0.0820 0.049 Uiso 1 1 calc R . . H60B H 0.5707 0.0437 0.0840 0.049 Uiso 1 1 calc R . . H60C H 0.5101 0.1184 0.0200 0.049 Uiso 1 1 calc R . . N1 N 0.1619(2) 0.2216(2) 0.24164(10) 0.0218(5) Uani 1 1 d . . . N2 N 0.3828(2) 0.0322(2) 0.30311(10) 0.0237(5) Uani 1 1 d . . . N3 N 0.4784(2) 0.2732(2) 0.26916(10) 0.0239(5) Uani 1 1 d . . . N4 N 0.2721(2) 0.4587(2) 0.19772(10) 0.0222(5) Uani 1 1 d . . . O1 O 0.1355(2) 0.10333(18) 0.01508(9) 0.0329(5) Uani 1 1 d . . . O2 O 0.7942(2) -0.3855(2) 0.34158(13) 0.0520(7) Uani 1 1 d . . . O3 O 0.6132(3) 0.3612(2) 0.48360(11) 0.0646(8) Uani 1 1 d . . . O4 O -0.11647(19) 0.89413(18) 0.14453(9) 0.0342(5) Uani 1 1 d . . . Si1 Si 0.13612(8) 0.19246(8) 0.43452(4) 0.0288(2) Uani 1 1 d . . . Si2 Si 0.51958(7) 0.26385(7) 0.08000(4) 0.0232(2) Uani 1 1 d . . . H1N H 0.196(3) 0.278(3) 0.2392(13) 0.030(9) Uiso 1 1 d . . . H3N H 0.455(3) 0.206(3) 0.2725(13) 0.029(8) Uiso 1 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 C1 0.0235(15) 0.0197(14) 0.0213(14) -0.0034(11) -0.0023(11) -0.0061(12) C2 0.0271(15) 0.0252(15) 0.0174(14) -0.0053(11) 0.0012(11) -0.0077(13) C3 0.0284(16) 0.0321(16) 0.0248(15) -0.0083(13) 0.0006(12) -0.0062(14) C4 0.0255(16) 0.052(2) 0.0326(17) -0.0162(15) 0.0019(13) -0.0128(15) C5 0.0408(19) 0.051(2) 0.0289(17) -0.0087(15) 0.0038(14) -0.0271(17) C6 0.0444(19) 0.0357(17) 0.0212(15) -0.0064(13) 0.0017(13) -0.0232(15) C7 0.0332(16) 0.0266(15) 0.0174(14) -0.0049(11) -0.0009(12) -0.0124(13) C8 0.060(2) 0.0351(18) 0.0229(16) -0.0016(13) -0.0022(15) -0.0309(17) C9 0.058(2) 0.0212(15) 0.0294(17) 0.0027(12) -0.0102(15) -0.0176(15) C10 0.0411(18) 0.0213(15) 0.0295(16) -0.0012(12) -0.0088(14) -0.0093(14) C11 0.0339(16) 0.0222(15) 0.0195(14) -0.0036(11) -0.0022(12) -0.0112(13) C12 0.0298(16) 0.0179(14) 0.0191(14) -0.0058(11) -0.0033(12) -0.0075(12) C13 0.0185(14) 0.0189(14) 0.0236(14) -0.0038(11) -0.0012(11) -0.0032(11) C14 0.0270(15) 0.0183(14) 0.0237(15) -0.0016(11) -0.0011(12) -0.0064(12) C15 0.0307(16) 0.0171(14) 0.0285(16) -0.0046(12) -0.0003(12) -0.0066(12) C16 0.0225(15) 0.0240(15) 0.0252(15) -0.0065(12) -0.0042(12) -0.0032(12) C17 0.0316(16) 0.0219(15) 0.0295(16) -0.0018(12) -0.0035(13) -0.0072(13) C18 0.0250(15) 0.0172(14) 0.0323(16) -0.0037(12) -0.0052(12) -0.0053(12) C19 0.060(2) 0.0254(17) 0.0322(18) -0.0110(14) -0.0075(16) -0.0043(16) C20 0.0249(15) 0.0174(14) 0.0338(16) -0.0045(12) -0.0019(12) -0.0084(12) C21 0.0311(17) 0.0209(15) 0.0396(18) -0.0066(13) -0.0053(14) -0.0051(13) C22 0.0384(18) 0.0223(16) 0.051(2) -0.0039(14) -0.0175(15) -0.0085(14) C23 0.0268(16) 0.0177(15) 0.066(2) -0.0117(15) -0.0063(16) -0.0063(13) C24 0.0343(18) 0.0250(16) 0.049(2) -0.0137(14) -0.0009(15) -0.0022(14) C25 0.0342(17) 0.0249(16) 0.0348(17) -0.0083(13) -0.0011(14) -0.0056(14) C26 0.041(2) 0.0296(19) 0.102(3) -0.026(2) -0.001(2) 0.0019(17) C27 0.0234(15) 0.0199(14) 0.0284(15) -0.0082(12) -0.0032(12) -0.0039(12) C28 0.047(2) 0.044(2) 0.0363(19) -0.0167(15) -0.0038(16) -0.0107(17) C29 0.0424(19) 0.055(2) 0.0276(17) -0.0162(15) 0.0068(14) -0.0191(17) C30 0.0399(18) 0.0383(18) 0.0246(16) -0.0058(13) 0.0001(14) -0.0106(15) C31 0.0240(14) 0.0145(13) 0.0198(14) -0.0020(10) -0.0022(11) -0.0051(11) C32 0.0275(16) 0.0186(14) 0.0210(14) -0.0033(11) 0.0006(12) -0.0070(12) C33 0.0283(16) 0.0217(15) 0.0364(17) -0.0024(13) -0.0052(13) -0.0058(13) C34 0.0200(16) 0.0353(18) 0.057(2) -0.0065(16) -0.0049(15) -0.0055(14) C35 0.0291(17) 0.0365(19) 0.053(2) -0.0026(16) 0.0001(15) -0.0171(15) C36 0.0323(17) 0.0250(15) 0.0329(17) -0.0048(13) -0.0007(13) -0.0118(13) C37 0.0249(15) 0.0187(14) 0.0238(15) -0.0038(11) -0.0010(12) -0.0072(12) C38 0.046(2) 0.0249(16) 0.0359(18) -0.0009(13) -0.0010(15) -0.0220(15) C39 0.0436(19) 0.0159(14) 0.0322(17) 0.0005(12) -0.0059(14) -0.0104(14) C40 0.0331(16) 0.0162(14) 0.0286(16) -0.0028(12) -0.0071(13) -0.0039(12) C41 0.0286(15) 0.0161(13) 0.0218(14) -0.0044(11) -0.0030(12) -0.0083(12) C42 0.0239(15) 0.0151(13) 0.0201(14) -0.0058(11) -0.0016(11) -0.0044(11) C43 0.0256(15) 0.0209(14) 0.0249(15) -0.0031(12) -0.0026(12) -0.0058(12) C44 0.0325(16) 0.0206(15) 0.0307(16) -0.0033(12) -0.0037(13) -0.0065(13) C45 0.048(2) 0.0246(16) 0.0238(15) 0.0013(12) -0.0039(14) -0.0120(14) C46 0.067(2) 0.0367(19) 0.0284(17) -0.0039(14) -0.0155(16) -0.0182(18) C47 0.063(2) 0.0265(17) 0.0345(18) -0.0075(14) -0.0087(16) -0.0160(16) C48 0.0426(18) 0.0208(15) 0.0285(16) -0.0015(12) -0.0064(13) -0.0141(14) C49 0.138(4) 0.055(3) 0.060(3) -0.008(2) -0.046(3) -0.047(3) C50 0.0213(14) 0.0158(13) 0.0299(15) -0.0047(11) -0.0001(12) -0.0067(12) C51 0.0278(15) 0.0188(14) 0.0278(15) -0.0068(12) -0.0004(12) -0.0087(12) C52 0.0249(15) 0.0179(14) 0.0289(15) -0.0031(11) -0.0052(12) -0.0063(12) C53 0.0232(15) 0.0189(14) 0.0341(17) -0.0041(12) -0.0009(12) -0.0025(12) C54 0.0331(17) 0.0229(15) 0.0314(17) -0.0125(13) 0.0001(13) 0.0012(13) C55 0.0322(17) 0.0274(16) 0.0269(16) -0.0081(12) -0.0023(13) -0.0053(14) C56 0.0338(18) 0.0248(16) 0.046(2) -0.0130(14) 0.0024(15) 0.0038(14) C57 0.0246(14) 0.0127(13) 0.0270(15) -0.0053(11) -0.0028(12) -0.0048(11) C58 0.0328(16) 0.0221(15) 0.0248(15) -0.0027(12) -0.0014(12) -0.0089(13) C59 0.0363(17) 0.0226(15) 0.0275(16) -0.0038(12) 0.0034(13) -0.0072(13) C60 0.0424(18) 0.0221(15) 0.0358(17) -0.0094(13) 0.0004(14) -0.0094(14) N1 0.0285(13) 0.0168(12) 0.0223(12) -0.0042(9) -0.0009(10) -0.0094(11) N2 0.0239(13) 0.0183(12) 0.0293(13) -0.0055(10) -0.0017(10) -0.0055(10) N3 0.0359(14) 0.0165(12) 0.0228(13) -0.0027(10) -0.0038(10) -0.0125(11) N4 0.0234(13) 0.0171(11) 0.0271(13) -0.0074(9) -0.0008(10) -0.0046(10) O1 0.0516(13) 0.0229(11) 0.0242(11) -0.0054(8) -0.0065(10) -0.0071(10) O2 0.0368(13) 0.0241(12) 0.092(2) -0.0157(12) -0.0212(13) 0.0070(11) O3 0.120(2) 0.0491(16) 0.0391(14) -0.0020(12) -0.0305(15) -0.0402(16) O4 0.0344(12) 0.0230(11) 0.0389(12) -0.0072(9) -0.0059(10) 0.0053(9) Si1 0.0321(5) 0.0325(5) 0.0246(4) -0.0100(3) 0.0001(3) -0.0101(4) Si2 0.0301(4) 0.0153(4) 0.0243(4) -0.0045(3) 0.0010(3) -0.0065(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 N1 1.454(3) . ? C1 C2 1.519(4) . ? C1 C27 1.550(4) . ? C1 C12 1.562(4) . ? C2 C3 1.362(4) . ? C2 C7 1.410(4) . ? C3 C4 1.420(4) . ? C3 H3 0.9500 . ? C4 C5 1.368(4) . ? C4 H4 0.9500 . ? C5 C6 1.416(4) . ? C5 H5 0.9500 . ? C6 C7 1.408(4) . ? C6 C8 1.416(4) . ? C7 C11 1.411(4) . ? C8 C9 1.370(4) . ? C8 H8 0.9500 . ? C9 C10 1.416(4) . ? C9 H9 0.9500 . ? C10 C11 1.387(4) . ? C10 H10 0.9500 . ? C11 C12 1.493(4) . ? C12 N2 1.268(3) . ? C13 N1 1.398(3) . ? C13 C18 1.398(4) . ? C13 C14 1.399(4) . ? C14 C15 1.389(4) . ? C14 H14 0.9500 . ? C15 C16 1.390(4) . ? C15 H15 0.9500 . ? C16 O1 1.372(3) . ? C16 C17 1.391(4) . ? C17 C18 1.379(4) . ? C17 H17 0.9500 . ? C18 H18 0.9500 . ? C19 O1 1.427(3) . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 C25 1.385(4) . ? C20 C21 1.390(4) . ? C20 N2 1.431(3) . ? C21 C22 1.384(4) . ? C21 H21 0.9500 . ? C22 C23 1.394(4) . ? C22 H22 0.9500 . ? C23 O2 1.379(4) . ? C23 C24 1.381(4) . ? C24 C25 1.394(4) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? C26 O2 1.435(4) . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 Si1 1.886(3) . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 Si1 1.872(3) . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 Si1 1.866(3) . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 Si1 1.868(3) . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 N3 1.451(3) . ? C31 C32 1.520(4) . ? C31 C57 1.551(3) . ? C31 C42 1.560(4) . ? C32 C33 1.362(4) . ? C32 C37 1.414(4) . ? C33 C34 1.414(4) . ? C33 H33 0.9500 . ? C34 C35 1.376(4) . ? C34 H34 0.9500 . ? C35 C36 1.415(4) . ? C35 H35 0.9500 . ? C36 C37 1.404(4) . ? C36 C38 1.423(4) . ? C37 C41 1.415(4) . ? C38 C39 1.367(4) . ? C38 H38 0.9500 . ? C39 C40 1.415(4) . ? C39 H39 0.9500 . ? C40 C41 1.382(4) . ? C40 H40 0.9500 . ? C41 C42 1.487(4) . ? C42 N4 1.273(3) . ? C43 N3 1.389(3) . ? C43 C48 1.400(4) . ? C43 C44 1.406(4) . ? C44 C45 1.363(4) . ? C44 H44 0.9500 . ? C45 C46 1.387(4) . ? C45 H45 0.9500 . ? C46 O3 1.380(4) . ? C46 C47 1.381(4) . ? C47 C48 1.383(4) . ? C47 H47 0.9500 . ? C48 H48 0.9500 . ? C49 O3 1.429(4) . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C50 C55 1.384(4) . ? C50 C51 1.397(4) . ? C50 N4 1.432(3) . ? C51 C52 1.381(4) . ? C51 H51 0.9500 . ? C52 C53 1.391(4) . ? C52 H52 0.9500 . ? C53 O4 1.379(3) . ? C53 C54 1.388(4) . ? C54 C55 1.391(4) . ? C54 H54 0.9500 . ? C55 H55 0.9500 . ? C56 O4 1.434(3) . ? C56 H56A 0.9800 . ? C56 H56B 0.9800 . ? C56 H56C 0.9800 . ? C57 Si2 1.884(3) . ? C57 H57A 0.9900 . ? C57 H57B 0.9900 . ? C58 Si2 1.863(3) . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? C59 Si2 1.868(3) . ? C59 H59A 0.9800 . ? C59 H59B 0.9800 . ? C59 H59C 0.9800 . ? C60 Si2 1.871(3) . ? C60 H60A 0.9800 . ? C60 H60B 0.9800 . ? C60 H60C 0.9800 . ? N1 H1N 0.82(3) . ? N3 H3N 0.85(3) . ? 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 N1 C1 C2 112.2(2) . . ? N1 C1 C27 106.4(2) . . ? C2 C1 C27 111.3(2) . . ? N1 C1 C12 114.4(2) . . ? C2 C1 C12 102.3(2) . . ? C27 C1 C12 110.4(2) . . ? C3 C2 C7 119.1(3) . . ? C3 C2 C1 131.6(3) . . ? C7 C2 C1 109.3(2) . . ? C2 C3 C4 118.9(3) . . ? C2 C3 H3 120.6 . . ? C4 C3 H3 120.6 . . ? C5 C4 C3 122.2(3) . . ? C5 C4 H4 118.9 . . ? C3 C4 H4 118.9 . . ? C4 C5 C6 120.4(3) . . ? C4 C5 H5 119.8 . . ? C6 C5 H5 119.8 . . ? C7 C6 C8 116.1(3) . . ? C7 C6 C5 116.4(3) . . ? C8 C6 C5 127.5(3) . . ? C6 C7 C2 123.0(3) . . ? C6 C7 C11 123.5(3) . . ? C2 C7 C11 113.4(2) . . ? C9 C8 C6 120.5(3) . . ? C9 C8 H8 119.8 . . ? C6 C8 H8 119.8 . . ? C8 C9 C10 123.1(3) . . ? C8 C9 H9 118.4 . . ? C10 C9 H9 118.4 . . ? C11 C10 C9 117.7(3) . . ? C11 C10 H10 121.2 . . ? C9 C10 H10 121.2 . . ? C10 C11 C7 119.2(3) . . ? C10 C11 C12 134.3(3) . . ? C7 C11 C12 106.5(2) . . ? N2 C12 C11 131.5(3) . . ? N2 C12 C1 120.1(2) . . ? C11 C12 C1 108.3(2) . . ? N1 C13 C18 117.3(2) . . ? N1 C13 C14 125.9(2) . . ? C18 C13 C14 116.8(2) . . ? C15 C14 C13 121.3(3) . . ? C15 C14 H14 119.3 . . ? C13 C14 H14 119.3 . . ? C14 C15 C16 120.7(3) . . ? C14 C15 H15 119.7 . . ? C16 C15 H15 119.7 . . ? O1 C16 C15 125.4(2) . . ? O1 C16 C17 115.9(2) . . ? C15 C16 C17 118.7(3) . . ? C18 C17 C16 120.2(3) . . ? C18 C17 H17 119.9 . . ? C16 C17 H17 119.9 . . ? C17 C18 C13 122.3(3) . . ? C17 C18 H18 118.9 . . ? C13 C18 H18 118.9 . . ? O1 C19 H19A 109.5 . . ? O1 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? O1 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C25 C20 C21 119.2(3) . . ? C25 C20 N2 120.3(3) . . ? C21 C20 N2 120.4(3) . . ? C22 C21 C20 120.4(3) . . ? C22 C21 H21 119.8 . . ? C20 C21 H21 119.8 . . ? C21 C22 C23 120.1(3) . . ? C21 C22 H22 120.0 . . ? C23 C22 H22 120.0 . . ? O2 C23 C24 124.8(3) . . ? O2 C23 C22 115.3(3) . . ? C24 C23 C22 119.9(3) . . ? C23 C24 C25 119.7(3) . . ? C23 C24 H24 120.2 . . ? C25 C24 H24 120.2 . . ? C20 C25 C24 120.7(3) . . ? C20 C25 H25 119.6 . . ? C24 C25 H25 119.6 . . ? O2 C26 H26A 109.5 . . ? O2 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? O2 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C1 C27 Si1 124.68(19) . . ? C1 C27 H27A 106.2 . . ? Si1 C27 H27A 106.2 . . ? C1 C27 H27B 106.2 . . ? Si1 C27 H27B 106.2 . . ? H27A C27 H27B 106.4 . . ? Si1 C28 H28A 109.5 . . ? Si1 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? Si1 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? Si1 C29 H29A 109.5 . . ? Si1 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? Si1 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? Si1 C30 H30A 109.5 . . ? Si1 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? Si1 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? N3 C31 C32 114.2(2) . . ? N3 C31 C57 105.7(2) . . ? C32 C31 C57 110.8(2) . . ? N3 C31 C42 113.1(2) . . ? C32 C31 C42 102.3(2) . . ? C57 C31 C42 110.9(2) . . ? C33 C32 C37 118.9(2) . . ? C33 C32 C31 131.7(2) . . ? C37 C32 C31 109.3(2) . . ? C32 C33 C34 118.9(3) . . ? C32 C33 H33 120.5 . . ? C34 C33 H33 120.5 . . ? C35 C34 C33 122.3(3) . . ? C35 C34 H34 118.9 . . ? C33 C34 H34 118.9 . . ? C34 C35 C36 120.2(3) . . ? C34 C35 H35 119.9 . . ? C36 C35 H35 119.9 . . ? C37 C36 C35 116.3(3) . . ? C37 C36 C38 115.7(3) . . ? C35 C36 C38 127.9(3) . . ? C36 C37 C32 123.3(3) . . ? C36 C37 C41 123.8(2) . . ? C32 C37 C41 112.9(2) . . ? C39 C38 C36 120.9(3) . . ? C39 C38 H38 119.6 . . ? C36 C38 H38 119.6 . . ? C38 C39 C40 122.5(3) . . ? C38 C39 H39 118.8 . . ? C40 C39 H39 118.8 . . ? C41 C40 C39 118.6(3) . . ? C41 C40 H40 120.7 . . ? C39 C40 H40 120.7 . . ? C40 C41 C37 118.5(2) . . ? C40 C41 C42 134.7(3) . . ? C37 C41 C42 106.8(2) . . ? N4 C42 C41 131.5(2) . . ? N4 C42 C31 120.0(2) . . ? C41 C42 C31 108.5(2) . . ? N3 C43 C48 125.3(3) . . ? N3 C43 C44 117.5(2) . . ? C48 C43 C44 117.1(3) . . ? C45 C44 C43 121.5(3) . . ? C45 C44 H44 119.3 . . ? C43 C44 H44 119.3 . . ? C44 C45 C46 120.8(3) . . ? C44 C45 H45 119.6 . . ? C46 C45 H45 119.6 . . ? O3 C46 C47 125.1(3) . . ? O3 C46 C45 116.3(3) . . ? C47 C46 C45 118.6(3) . . ? C46 C47 C48 121.0(3) . . ? C46 C47 H47 119.5 . . ? C48 C47 H47 119.5 . . ? C47 C48 C43 120.7(3) . . ? C47 C48 H48 119.6 . . ? C43 C48 H48 119.6 . . ? O3 C49 H49A 109.5 . . ? O3 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? O3 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C55 C50 C51 119.0(3) . . ? C55 C50 N4 119.4(2) . . ? C51 C50 N4 121.5(2) . . ? C52 C51 C50 120.5(3) . . ? C52 C51 H51 119.8 . . ? C50 C51 H51 119.8 . . ? C51 C52 C53 119.8(3) . . ? C51 C52 H52 120.1 . . ? C53 C52 H52 120.1 . . ? O4 C53 C54 123.8(3) . . ? O4 C53 C52 115.7(2) . . ? C54 C53 C52 120.4(3) . . ? C53 C54 C55 119.0(3) . . ? C53 C54 H54 120.5 . . ? C55 C54 H54 120.5 . . ? C50 C55 C54 121.2(3) . . ? C50 C55 H55 119.4 . . ? C54 C55 H55 119.4 . . ? O4 C56 H56A 109.5 . . ? O4 C56 H56B 109.5 . . ? H56A C56 H56B 109.5 . . ? O4 C56 H56C 109.5 . . ? H56A C56 H56C 109.5 . . ? H56B C56 H56C 109.5 . . ? C31 C57 Si2 125.12(18) . . ? C31 C57 H57A 106.0 . . ? Si2 C57 H57A 106.0 . . ? C31 C57 H57B 106.0 . . ? Si2 C57 H57B 106.0 . . ? H57A C57 H57B 106.3 . . ? Si2 C58 H58A 109.5 . . ? Si2 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? Si2 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? Si2 C59 H59A 109.5 . . ? Si2 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? Si2 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? Si2 C60 H60A 109.5 . . ? Si2 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? Si2 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C13 N1 C1 126.1(2) . . ? C13 N1 H1N 117(2) . . ? C1 N1 H1N 112(2) . . ? C12 N2 C20 120.4(2) . . ? C43 N3 C31 127.9(2) . . ? C43 N3 H3N 120(2) . . ? C31 N3 H3N 112(2) . . ? C42 N4 C50 120.1(2) . . ? C16 O1 C19 116.8(2) . . ? C23 O2 C26 116.1(3) . . ? C46 O3 C49 115.9(3) . . ? C53 O4 C56 117.1(2) . . ? C29 Si1 C30 109.98(15) . . ? C29 Si1 C28 109.15(15) . . ? C30 Si1 C28 108.82(15) . . ? C29 Si1 C27 112.11(13) . . ? C30 Si1 C27 112.96(13) . . ? C28 Si1 C27 103.53(14) . . ? C58 Si2 C59 109.21(13) . . ? C58 Si2 C60 110.05(14) . . ? C59 Si2 C60 109.65(13) . . ? C58 Si2 C57 112.23(12) . . ? C59 Si2 C57 113.09(13) . . ? C60 Si2 C57 102.42(13) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 C1 C2 C3 -53.8(4) . . . . ? C27 C1 C2 C3 65.2(4) . . . . ? C12 C1 C2 C3 -176.9(3) . . . . ? N1 C1 C2 C7 126.7(2) . . . . ? C27 C1 C2 C7 -114.2(2) . . . . ? C12 C1 C2 C7 3.7(3) . . . . ? C7 C2 C3 C4 1.0(4) . . . . ? C1 C2 C3 C4 -178.4(3) . . . . ? C2 C3 C4 C5 -1.5(4) . . . . ? C3 C4 C5 C6 0.6(5) . . . . ? C4 C5 C6 C7 0.8(4) . . . . ? C4 C5 C6 C8 -176.5(3) . . . . ? C8 C6 C7 C2 176.3(3) . . . . ? C5 C6 C7 C2 -1.3(4) . . . . ? C8 C6 C7 C11 -0.5(4) . . . . ? C5 C6 C7 C11 -178.1(3) . . . . ? C3 C2 C7 C6 0.4(4) . . . . ? C1 C2 C7 C6 180.0(2) . . . . ? C3 C2 C7 C11 177.5(2) . . . . ? C1 C2 C7 C11 -3.0(3) . . . . ? C7 C6 C8 C9 0.7(4) . . . . ? C5 C6 C8 C9 178.0(3) . . . . ? C6 C8 C9 C10 -0.4(5) . . . . ? C8 C9 C10 C11 -0.3(4) . . . . ? C9 C10 C11 C7 0.5(4) . . . . ? C9 C10 C11 C12 -176.8(3) . . . . ? C6 C7 C11 C10 -0.1(4) . . . . ? C2 C7 C11 C10 -177.2(2) . . . . ? C6 C7 C11 C12 177.8(2) . . . . ? C2 C7 C11 C12 0.8(3) . . . . ? C10 C11 C12 N2 1.5(5) . . . . ? C7 C11 C12 N2 -176.0(3) . . . . ? C10 C11 C12 C1 179.1(3) . . . . ? C7 C11 C12 C1 1.6(3) . . . . ? N1 C1 C12 N2 53.3(3) . . . . ? C2 C1 C12 N2 174.8(2) . . . . ? C27 C1 C12 N2 -66.7(3) . . . . ? N1 C1 C12 C11 -124.7(2) . . . . ? C2 C1 C12 C11 -3.2(3) . . . . ? C27 C1 C12 C11 115.3(2) . . . . ? N1 C13 C14 C15 177.7(2) . . . . ? C18 C13 C14 C15 0.2(4) . . . . ? C13 C14 C15 C16 -0.2(4) . . . . ? C14 C15 C16 O1 179.8(2) . . . . ? C14 C15 C16 C17 0.0(4) . . . . ? O1 C16 C17 C18 -179.6(2) . . . . ? C15 C16 C17 C18 0.1(4) . . . . ? C16 C17 C18 C13 -0.1(4) . . . . ? N1 C13 C18 C17 -177.8(2) . . . . ? C14 C13 C18 C17 -0.1(4) . . . . ? C25 C20 C21 C22 0.6(4) . . . . ? N2 C20 C21 C22 -176.1(2) . . . . ? C20 C21 C22 C23 -0.2(4) . . . . ? C21 C22 C23 O2 178.6(3) . . . . ? C21 C22 C23 C24 -0.9(4) . . . . ? O2 C23 C24 C25 -177.9(3) . . . . ? C22 C23 C24 C25 1.7(5) . . . . ? C21 C20 C25 C24 0.2(4) . . . . ? N2 C20 C25 C24 176.9(3) . . . . ? C23 C24 C25 C20 -1.3(4) . . . . ? N1 C1 C27 Si1 169.38(19) . . . . ? C2 C1 C27 Si1 46.9(3) . . . . ? C12 C1 C27 Si1 -65.9(3) . . . . ? N3 C31 C32 C33 54.9(4) . . . . ? C57 C31 C32 C33 -64.3(4) . . . . ? C42 C31 C32 C33 177.5(3) . . . . ? N3 C31 C32 C37 -126.9(2) . . . . ? C57 C31 C32 C37 113.8(2) . . . . ? C42 C31 C32 C37 -4.4(3) . . . . ? C37 C32 C33 C34 -1.1(4) . . . . ? C31 C32 C33 C34 176.9(3) . . . . ? C32 C33 C34 C35 0.2(5) . . . . ? C33 C34 C35 C36 1.0(5) . . . . ? C34 C35 C36 C37 -1.2(5) . . . . ? C34 C35 C36 C38 175.8(3) . . . . ? C35 C36 C37 C32 0.2(4) . . . . ? C38 C36 C37 C32 -177.1(3) . . . . ? C35 C36 C37 C41 178.7(3) . . . . ? C38 C36 C37 C41 1.3(4) . . . . ? C33 C32 C37 C36 0.9(4) . . . . ? C31 C32 C37 C36 -177.5(3) . . . . ? C33 C32 C37 C41 -177.7(2) . . . . ? C31 C32 C37 C41 3.9(3) . . . . ? C37 C36 C38 C39 -0.4(4) . . . . ? C35 C36 C38 C39 -177.4(3) . . . . ? C36 C38 C39 C40 0.1(5) . . . . ? C38 C39 C40 C41 -0.6(4) . . . . ? C39 C40 C41 C37 1.4(4) . . . . ? C39 C40 C41 C42 179.0(3) . . . . ? C36 C37 C41 C40 -1.9(4) . . . . ? C32 C37 C41 C40 176.7(2) . . . . ? C36 C37 C41 C42 179.9(3) . . . . ? C32 C37 C41 C42 -1.5(3) . . . . ? C40 C41 C42 N4 1.0(5) . . . . ? C37 C41 C42 N4 178.8(3) . . . . ? C40 C41 C42 C31 -179.2(3) . . . . ? C37 C41 C42 C31 -1.4(3) . . . . ? N3 C31 C42 N4 -53.4(3) . . . . ? C32 C31 C42 N4 -176.7(2) . . . . ? C57 C31 C42 N4 65.2(3) . . . . ? N3 C31 C42 C41 126.8(2) . . . . ? C32 C31 C42 C41 3.5(3) . . . . ? C57 C31 C42 C41 -114.7(2) . . . . ? N3 C43 C44 C45 174.5(3) . . . . ? C48 C43 C44 C45 -3.8(4) . . . . ? C43 C44 C45 C46 -1.2(5) . . . . ? C44 C45 C46 O3 -174.9(3) . . . . ? C44 C45 C46 C47 5.4(5) . . . . ? O3 C46 C47 C48 175.9(3) . . . . ? C45 C46 C47 C48 -4.4(5) . . . . ? C46 C47 C48 C43 -0.8(5) . . . . ? N3 C43 C48 C47 -173.4(3) . . . . ? C44 C43 C48 C47 4.8(4) . . . . ? C55 C50 C51 C52 -0.7(4) . . . . ? N4 C50 C51 C52 176.6(2) . . . . ? C50 C51 C52 C53 1.2(4) . . . . ? C51 C52 C53 O4 -179.5(2) . . . . ? C51 C52 C53 C54 -0.7(4) . . . . ? O4 C53 C54 C55 178.5(3) . . . . ? C52 C53 C54 C55 -0.3(4) . . . . ? C51 C50 C55 C54 -0.2(4) . . . . ? N4 C50 C55 C54 -177.6(2) . . . . ? C53 C54 C55 C50 0.7(4) . . . . ? N3 C31 C57 Si2 -172.79(19) . . . . ? C32 C31 C57 Si2 -48.5(3) . . . . ? C42 C31 C57 Si2 64.3(3) . . . . ? C18 C13 N1 C1 171.9(2) . . . . ? C14 C13 N1 C1 -5.6(4) . . . . ? C2 C1 N1 C13 -57.8(3) . . . . ? C27 C1 N1 C13 -179.7(2) . . . . ? C12 C1 N1 C13 58.1(3) . . . . ? C11 C12 N2 C20 -1.4(4) . . . . ? C1 C12 N2 C20 -178.8(2) . . . . ? C25 C20 N2 C12 97.2(3) . . . . ? C21 C20 N2 C12 -86.2(3) . . . . ? C48 C43 N3 C31 11.8(5) . . . . ? C44 C43 N3 C31 -166.4(3) . . . . ? C32 C31 N3 C43 43.2(4) . . . . ? C57 C31 N3 C43 165.2(3) . . . . ? C42 C31 N3 C43 -73.3(3) . . . . ? C41 C42 N4 C50 -2.6(4) . . . . ? C31 C42 N4 C50 177.6(2) . . . . ? C55 C50 N4 C42 -92.1(3) . . . . ? C51 C50 N4 C42 90.5(3) . . . . ? C15 C16 O1 C19 -9.1(4) . . . . ? C17 C16 O1 C19 170.7(3) . . . . ? C24 C23 O2 C26 -11.0(4) . . . . ? C22 C23 O2 C26 169.5(3) . . . . ? C47 C46 O3 C49 -11.0(6) . . . . ? C45 C46 O3 C49 169.3(4) . . . . ? C54 C53 O4 C56 5.2(4) . . . . ? C52 C53 O4 C56 -176.0(2) . . . . ? C1 C27 Si1 C29 -63.8(3) . . . . ? C1 C27 Si1 C30 61.2(3) . . . . ? C1 C27 Si1 C28 178.7(2) . . . . ? C31 C57 Si2 C58 -63.3(3) . . . . ? C31 C57 Si2 C59 60.8(3) . . . . ? C31 C57 Si2 C60 178.8(2) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.473 _refine_diff_density_min -0.284 _refine_diff_density_rms 0.056