#------------------------------------------------------------------------------ #$Date: 2019-11-07 21:40:19 +0200 (Thu, 07 Nov 2019) $ #$Revision: 223574 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/12/1551208.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1551208 loop_ _publ_author_name 'Hashimoto, Hikaru' 'Inagaki, Yusuke' 'Momma, Hiroyuki' 'Kwon, Eunsang' 'Yamaguchi, Kentaro' 'Setaka, Wataru' _publ_section_title ; Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage ; _journal_issue 26 _journal_name_full CrystEngComm _journal_page_first 3910 _journal_paper_doi 10.1039/C9CE00706G _journal_volume 21 _journal_year 2019 _chemical_compound_source no _chemical_formula_moiety 'C19 H27 N Si2' _chemical_formula_sum 'C19 H27 N Si2' _chemical_formula_weight 325.59 _chemical_melting_point 390 _chemical_name_common TMS2MeCarba _chemical_name_systematic TMS2MeCarba _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_block_doi 10.5517/ccdc.csd.cc1z8mzv _audit_creation_method SHELXL-2013 _audit_update_record ; 2018-02-24 deposited with the CCDC. 2019-06-04 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 96.345(11) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.104(7) _cell_length_b 6.317(4) _cell_length_c 20.8662(10) _cell_measurement_reflns_used 5792 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 3.4 _cell_volume 1978.7(16) _computing_cell_refinement 'RIGAKU Crystalclear' _computing_data_collection 'RIGAKU Crystalclear' _computing_data_reduction 'RIGAKU Crystalclear' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX (Farrugia, 1999)' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_structure_solution 'SHELXS-2013 (Sheldrick, 2013)' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 5.8140 _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.989 _diffrn_measurement_device_type 'RIGAKU PILT' _diffrn_measurement_method 'profile data from \w-scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0974 _diffrn_reflns_av_unetI/netI 0.0900 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.989 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 18281 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.989 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 27.516 _diffrn_reflns_theta_min 3.105 _diffrn_source 'Rotating Anode' _exptl_absorpt_coefficient_mu 0.177 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.715 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'Clystalclear (RIGAKU)' _exptl_crystal_colour Colorless _exptl_crystal_density_diffrn 1.093 _exptl_crystal_description Prism _exptl_crystal_F_000 704 _exptl_crystal_preparation Luminescent _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: ethanol' _exptl_crystal_size_max 0.270 _exptl_crystal_size_mid 0.220 _exptl_crystal_size_min 0.190 _refine_diff_density_max 0.263 _refine_diff_density_min -0.322 _refine_diff_density_rms 0.061 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.889 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 199 _refine_ls_number_reflns 4510 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.889 _refine_ls_R_factor_all 0.0605 _refine_ls_R_factor_gt 0.0487 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0517P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1114 _refine_ls_wR_factor_ref 0.1140 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2953 _reflns_number_total 4510 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c9ce00706g2.cif _cod_data_source_block shelx_CCDC1 _cod_depositor_comments ; The following automatic conversions were performed: '_exptl_absorpt_correction_type' value 'Multi-scan' changed to 'multi-scan' according to /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26. Automatic conversion script Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas Adding full bibliography for 1551207--1551208.cif. ; _cod_database_code 1551208 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.954 _shelx_estimated_absorpt_t_max 0.967 _shelxl_version_number 2013-4 _shelx_res_file ; TITL shelx in P 21/n CELL 0.71073 15.1040 6.3170 20.8662 90.000 96.345 90.000 ZERR 4.00 0.0070 0.0040 0.0010 0.001 0.011 0.011 LATT 1 SYMM 1/2 - X, 1/2 + Y, 1/2 - Z SFAC C H N SI UNIT 76 108 4 8 MERG 2 FMAP 2 PLAN 25 SIZE 0.190 0.220 0.270 ACTA 50.00 BOND $H L.S. 40 TEMP -173.00 WGHT 0.051700 FVAR 1.20860 SI1 4 0.275332 -0.194127 0.107766 11.00000 0.03329 0.03664 = 0.03908 -0.00218 0.00699 -0.00217 SI2 4 0.931527 0.401398 0.141764 11.00000 0.03336 0.03723 = 0.05022 0.00939 0.00175 -0.00451 N1 3 0.622922 -0.022187 0.097397 11.00000 0.03302 0.03714 = 0.04509 -0.01033 0.01156 -0.00175 C1 1 0.381791 -0.041143 0.122765 11.00000 0.03244 0.03537 = 0.03213 0.00036 0.00470 0.00202 C2 1 0.383413 0.144915 0.160589 11.00000 0.03268 0.04121 = 0.04314 -0.00607 0.01004 0.00358 AFIX 43 H2 2 0.329834 0.190523 0.176213 11.00000 -1.20000 AFIX 0 C3 1 0.459234 0.261875 0.175562 11.00000 0.03966 0.03868 = 0.04342 -0.01259 0.00935 0.00216 AFIX 43 H3 2 0.457895 0.386227 0.201041 11.00000 -1.20000 AFIX 0 C4 1 0.538636 0.196509 0.152989 11.00000 0.03580 0.03452 = 0.03319 -0.00244 0.00612 -0.00223 C5 1 0.537558 0.012154 0.114692 11.00000 0.03183 0.03421 = 0.03380 -0.00258 0.00755 0.00036 C6 1 0.460723 -0.105628 0.099457 11.00000 0.03755 0.03425 = 0.03465 -0.00513 0.00766 -0.00108 AFIX 43 H6 2 0.461704 -0.228864 0.073450 11.00000 -1.20000 AFIX 0 C7 1 0.811448 0.342673 0.150251 11.00000 0.03424 0.04083 = 0.03830 0.00574 0.00084 -0.00281 C8 1 0.761596 0.475426 0.187530 11.00000 0.04212 0.04337 = 0.04697 -0.00714 0.00324 -0.00826 AFIX 43 H8 2 0.790852 0.590648 0.210194 11.00000 -1.20000 AFIX 0 C9 1 0.672062 0.443799 0.192200 11.00000 0.04497 0.04105 = 0.04632 -0.01088 0.00950 -0.00325 AFIX 43 H9 2 0.640393 0.536723 0.217277 11.00000 -1.20000 AFIX 0 C10 1 0.628986 0.274915 0.159872 11.00000 0.03439 0.03450 = 0.03225 -0.00174 0.00441 -0.00112 C11 1 0.678395 0.136190 0.124237 11.00000 0.03562 0.03303 = 0.03304 0.00009 0.00429 -0.00174 C12 1 0.768629 0.170234 0.118994 11.00000 0.03348 0.03762 = 0.03949 0.00263 0.00762 0.00233 AFIX 43 H12 2 0.800524 0.076536 0.094311 11.00000 -1.20000 AFIX 0 C13 1 0.647385 -0.191498 0.055623 11.00000 0.04433 0.04217 = 0.05042 -0.01169 0.01704 -0.00013 AFIX 33 H13A 2 0.711139 -0.182350 0.051006 11.00000 -1.50000 H13B 2 0.613052 -0.177797 0.013146 11.00000 -1.50000 H13C 2 0.634461 -0.328536 0.074544 11.00000 -1.50000 AFIX 0 C14 1 0.286387 -0.406247 0.047012 11.00000 0.05511 0.04690 = 0.04471 -0.00708 0.00036 -0.00229 AFIX 33 H14A 2 0.230360 -0.485270 0.039556 11.00000 -1.50000 H14B 2 0.334596 -0.502759 0.063086 11.00000 -1.50000 H14C 2 0.300015 -0.342190 0.006465 11.00000 -1.50000 AFIX 0 C15 1 0.250114 -0.315478 0.185440 11.00000 0.06391 0.06102 = 0.05201 -0.00128 0.02016 -0.01383 AFIX 33 H15A 2 0.194446 -0.396005 0.178234 11.00000 -1.50000 H15B 2 0.243882 -0.203535 0.217147 11.00000 -1.50000 H15C 2 0.298798 -0.410497 0.201650 11.00000 -1.50000 AFIX 0 C16 1 0.184114 -0.008068 0.079587 11.00000 0.03746 0.05506 = 0.07732 -0.00526 0.00250 0.00171 AFIX 33 H16A 2 0.127929 -0.086220 0.071600 11.00000 -1.50000 H16B 2 0.197476 0.060347 0.039614 11.00000 -1.50000 H16C 2 0.178784 0.099888 0.112671 11.00000 -1.50000 AFIX 0 C17 1 0.947337 0.694282 0.142025 11.00000 0.05536 0.04365 = 0.12609 0.01758 0.01746 -0.00608 AFIX 33 H17A 2 0.907547 0.757355 0.106877 11.00000 -1.50000 H17B 2 1.009291 0.727126 0.136009 11.00000 -1.50000 H17C 2 0.933478 0.752232 0.183326 11.00000 -1.50000 AFIX 0 C18 1 1.005689 0.280878 0.208721 11.00000 0.04651 0.05381 = 0.05543 0.00520 -0.00509 -0.00663 AFIX 33 H18A 2 0.997648 0.126922 0.208073 11.00000 -1.50000 H18B 2 0.990782 0.337370 0.249935 11.00000 -1.50000 H18C 2 1.067820 0.314665 0.203531 11.00000 -1.50000 AFIX 0 C19 1 0.961278 0.292610 0.063765 11.00000 0.04080 0.07642 = 0.05123 0.01219 0.00755 -0.00114 AFIX 33 H19A 2 0.922270 0.354816 0.028031 11.00000 -1.50000 H19B 2 0.953770 0.138504 0.063417 11.00000 -1.50000 H19C 2 1.023412 0.327397 0.058898 11.00000 -1.50000 AFIX 0 HKLF 4 REM shelx in P 21/n REM R1 = 0.0487 for 2953 Fo > 4sig(Fo) and 0.0605 for all 4510 data REM 199 parameters refined using 0 restraints END WGHT 0.0515 0.0000 REM Highest difference peak 0.263, deepest hole -0.322, 1-sigma level 0.061 Q1 1 0.6653 -0.1192 0.0104 11.00000 0.05 0.26 Q2 1 0.5941 -0.3067 0.0479 11.00000 0.05 0.24 Q3 1 0.9050 0.8106 0.1684 11.00000 0.05 0.23 Q4 1 0.3381 -0.1186 0.1110 11.00000 0.05 0.22 Q5 1 0.5855 -0.4938 0.1055 11.00000 0.05 0.21 Q6 1 0.7218 -0.2900 0.0916 11.00000 0.05 0.20 Q7 1 0.4601 0.5334 0.1804 11.00000 0.05 0.20 Q8 1 0.6614 0.2000 0.1483 11.00000 0.05 0.20 Q9 1 0.2841 0.2876 0.1673 11.00000 0.05 0.20 Q10 1 0.7464 -0.0861 0.1738 11.00000 0.05 0.20 Q11 1 0.9437 0.3239 0.1027 11.00000 0.05 0.19 Q12 1 0.4974 0.2601 0.1567 11.00000 0.05 0.19 Q13 1 0.6520 0.4429 0.1096 11.00000 0.05 0.19 Q14 1 1.0171 0.7439 0.1744 11.00000 0.05 0.19 Q15 1 0.7566 -0.0066 0.1846 11.00000 0.05 0.18 Q16 1 0.5864 0.2280 0.1736 11.00000 0.05 0.17 Q17 1 0.1432 -0.2037 0.1161 11.00000 0.05 0.17 Q18 1 0.7562 0.4684 0.2913 11.00000 0.05 0.17 Q19 1 0.9640 0.3223 0.1823 11.00000 0.05 0.17 Q20 1 0.7766 0.8264 0.1623 11.00000 0.05 0.16 Q21 1 0.5876 0.2843 0.1504 11.00000 0.05 0.16 Q22 1 0.4662 -0.1879 0.0431 11.00000 0.05 0.16 Q23 1 0.2781 -0.2956 0.0708 11.00000 0.05 0.16 Q24 1 0.1576 -0.0542 0.0694 11.00000 0.05 0.16 Q25 1 0.3182 -0.1574 -0.0338 11.00000 0.05 0.16 ; _shelx_res_checksum 61515 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp Si1 Si 0.27533(3) -0.19413(9) 0.10777(2) 0.03612(16) Uani 1 1 d . . Si2 Si 0.93153(3) 0.40140(9) 0.14176(3) 0.04049(17) Uani 1 1 d . . N1 N 0.62292(10) -0.0222(2) 0.09740(7) 0.0379(4) Uani 1 1 d . . C1 C 0.38179(11) -0.0411(3) 0.12277(8) 0.0332(4) Uani 1 1 d . . C2 C 0.38341(12) 0.1449(3) 0.16059(9) 0.0386(5) Uani 1 1 d . . H2 H 0.3298 0.1905 0.1762 0.046 Uiso 1 1 calc R U C3 C 0.45923(12) 0.2619(3) 0.17556(9) 0.0402(5) Uani 1 1 d . . H3 H 0.4579 0.3862 0.2010 0.048 Uiso 1 1 calc R U C4 C 0.53864(12) 0.1965(3) 0.15299(8) 0.0343(4) Uani 1 1 d . . C5 C 0.53756(11) 0.0122(3) 0.11469(8) 0.0330(4) Uani 1 1 d . . C6 C 0.46072(11) -0.1056(3) 0.09946(8) 0.0352(4) Uani 1 1 d . . H6 H 0.4617 -0.2289 0.0735 0.042 Uiso 1 1 calc R U C7 C 0.81145(12) 0.3427(3) 0.15025(9) 0.0380(5) Uani 1 1 d . . C8 C 0.76160(13) 0.4754(3) 0.18753(9) 0.0443(5) Uani 1 1 d . . H8 H 0.7909 0.5906 0.2102 0.053 Uiso 1 1 calc R U C9 C 0.67206(13) 0.4438(3) 0.19220(9) 0.0438(5) Uani 1 1 d . . H9 H 0.6404 0.5367 0.2173 0.053 Uiso 1 1 calc R U C10 C 0.62899(12) 0.2749(3) 0.15987(8) 0.0337(4) Uani 1 1 d . . C11 C 0.67839(12) 0.1362(3) 0.12424(8) 0.0339(4) Uani 1 1 d . . C12 C 0.76863(12) 0.1702(3) 0.11899(8) 0.0366(4) Uani 1 1 d . . H12 H 0.8005 0.0765 0.0943 0.044 Uiso 1 1 calc R U C13 C 0.64738(13) -0.1915(3) 0.05562(10) 0.0448(5) Uani 1 1 d . . H13A H 0.7111 -0.1824 0.0510 0.067 Uiso 1 1 calc R U H13B H 0.6131 -0.1778 0.0131 0.067 Uiso 1 1 calc R U H13C H 0.6345 -0.3285 0.0745 0.067 Uiso 1 1 calc R U C14 C 0.28639(14) -0.4062(4) 0.04701(10) 0.0493(5) Uani 1 1 d . . H14A H 0.2304 -0.4853 0.0396 0.074 Uiso 1 1 calc R U H14B H 0.3346 -0.5028 0.0631 0.074 Uiso 1 1 calc R U H14C H 0.3000 -0.3422 0.0065 0.074 Uiso 1 1 calc R U C15 C 0.25011(16) -0.3155(4) 0.18544(10) 0.0580(6) Uani 1 1 d . . H15A H 0.1944 -0.3960 0.1782 0.087 Uiso 1 1 calc R U H15B H 0.2439 -0.2035 0.2171 0.087 Uiso 1 1 calc R U H15C H 0.2988 -0.4105 0.2016 0.087 Uiso 1 1 calc R U C16 C 0.18411(13) -0.0081(4) 0.07959(12) 0.0569(6) Uani 1 1 d . . H16A H 0.1279 -0.0862 0.0716 0.085 Uiso 1 1 calc R U H16B H 0.1975 0.0603 0.0396 0.085 Uiso 1 1 calc R U H16C H 0.1788 0.0999 0.1127 0.085 Uiso 1 1 calc R U C17 C 0.94734(17) 0.6943(4) 0.14203(15) 0.0745(8) Uani 1 1 d . . H17A H 0.9075 0.7574 0.1069 0.112 Uiso 1 1 calc R U H17B H 1.0093 0.7271 0.1360 0.112 Uiso 1 1 calc R U H17C H 0.9335 0.7522 0.1833 0.112 Uiso 1 1 calc R U C18 C 1.00569(14) 0.2809(4) 0.20872(10) 0.0527(6) Uani 1 1 d . . H18A H 0.9976 0.1269 0.2081 0.079 Uiso 1 1 calc R U H18B H 0.9908 0.3374 0.2499 0.079 Uiso 1 1 calc R U H18C H 1.0678 0.3147 0.2035 0.079 Uiso 1 1 calc R U C19 C 0.96128(14) 0.2926(4) 0.06376(10) 0.0560(6) Uani 1 1 d . . H19A H 0.9223 0.3548 0.0280 0.084 Uiso 1 1 calc R U H19B H 0.9538 0.1385 0.0634 0.084 Uiso 1 1 calc R U H19C H 1.0234 0.3274 0.0589 0.084 Uiso 1 1 calc R U 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 Si1 0.0333(3) 0.0366(3) 0.0391(3) -0.0022(2) 0.0070(2) -0.0022(2) Si2 0.0334(3) 0.0372(3) 0.0502(3) 0.0094(3) 0.0017(2) -0.0045(3) N1 0.0330(8) 0.0371(9) 0.0451(9) -0.0103(7) 0.0116(7) -0.0017(8) C1 0.0324(9) 0.0354(10) 0.0321(9) 0.0004(8) 0.0047(7) 0.0020(9) C2 0.0327(10) 0.0412(12) 0.0431(10) -0.0061(9) 0.0100(8) 0.0036(9) C3 0.0397(11) 0.0387(11) 0.0434(11) -0.0126(9) 0.0094(8) 0.0022(9) C4 0.0358(10) 0.0345(10) 0.0332(9) -0.0024(8) 0.0061(7) -0.0022(9) C5 0.0318(9) 0.0342(10) 0.0338(9) -0.0026(8) 0.0076(7) 0.0004(9) C6 0.0375(10) 0.0343(10) 0.0347(9) -0.0051(8) 0.0077(8) -0.0011(9) C7 0.0342(10) 0.0408(12) 0.0383(10) 0.0057(9) 0.0008(8) -0.0028(9) C8 0.0421(11) 0.0434(12) 0.0470(11) -0.0071(9) 0.0032(9) -0.0083(10) C9 0.0450(11) 0.0410(12) 0.0463(11) -0.0109(9) 0.0095(9) -0.0032(10) C10 0.0344(9) 0.0345(10) 0.0322(9) -0.0017(8) 0.0044(7) -0.0011(9) C11 0.0356(10) 0.0330(10) 0.0330(9) 0.0001(8) 0.0043(7) -0.0017(9) C12 0.0335(10) 0.0376(11) 0.0395(10) 0.0026(9) 0.0076(8) 0.0023(9) C13 0.0443(11) 0.0422(12) 0.0504(11) -0.0117(10) 0.0170(9) -0.0001(10) C14 0.0551(13) 0.0469(13) 0.0447(11) -0.0071(10) 0.0004(9) -0.0023(11) C15 0.0639(14) 0.0610(15) 0.0520(13) -0.0013(11) 0.0202(11) -0.0138(13) C16 0.0375(11) 0.0551(14) 0.0773(15) -0.0053(12) 0.0025(10) 0.0017(11) C17 0.0554(15) 0.0436(14) 0.126(2) 0.0176(15) 0.0175(14) -0.0061(13) C18 0.0465(12) 0.0538(14) 0.0554(13) 0.0052(11) -0.0051(10) -0.0066(11) C19 0.0408(11) 0.0764(17) 0.0512(12) 0.0122(12) 0.0076(9) -0.0011(12) 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' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C16 Si1 C14 111.02(11) C16 Si1 C15 108.60(11) C14 Si1 C15 109.68(11) C16 Si1 C1 108.65(10) C14 Si1 C1 110.17(9) C15 Si1 C1 108.67(9) C18 Si2 C17 109.78(12) C18 Si2 C19 108.79(10) C17 Si2 C19 108.94(12) C18 Si2 C7 110.91(9) C17 Si2 C7 108.67(10) C19 Si2 C7 109.72(9) C11 N1 C5 108.60(15) C11 N1 C13 126.34(15) C5 N1 C13 125.01(16) C6 C1 C2 118.27(17) C6 C1 Si1 122.78(14) C2 C1 Si1 118.93(13) C3 C2 C1 122.55(16) C3 C2 H2 118.7 C1 C2 H2 118.7 C2 C3 C4 119.37(17) C2 C3 H3 120.3 C4 C3 H3 120.3 C3 C4 C5 118.53(17) C3 C4 C10 134.55(17) C5 C4 C10 106.92(15) C6 C5 N1 129.22(16) C6 C5 C4 122.00(15) N1 C5 C4 108.78(15) C5 C6 C1 119.26(17) C5 C6 H6 120.4 C1 C6 H6 120.4 C12 C7 C8 118.24(17) C12 C7 Si2 120.92(14) C8 C7 Si2 120.82(15) C9 C8 C7 122.51(19) C9 C8 H8 118.7 C7 C8 H8 118.7 C8 C9 C10 119.20(18) C8 C9 H9 120.4 C10 C9 H9 120.4 C9 C10 C11 119.10(17) C9 C10 C4 134.46(17) C11 C10 C4 106.44(16) N1 C11 C12 129.25(16) N1 C11 C10 109.26(15) C12 C11 C10 121.48(17) C7 C12 C11 119.41(17) C7 C12 H12 120.3 C11 C12 H12 120.3 N1 C13 H13A 109.5 N1 C13 H13B 109.5 H13A C13 H13B 109.5 N1 C13 H13C 109.5 H13A C13 H13C 109.5 H13B C13 H13C 109.5 Si1 C14 H14A 109.5 Si1 C14 H14B 109.5 H14A C14 H14B 109.5 Si1 C14 H14C 109.5 H14A C14 H14C 109.5 H14B C14 H14C 109.5 Si1 C15 H15A 109.5 Si1 C15 H15B 109.5 H15A C15 H15B 109.5 Si1 C15 H15C 109.5 H15A C15 H15C 109.5 H15B C15 H15C 109.5 Si1 C16 H16A 109.5 Si1 C16 H16B 109.5 H16A C16 H16B 109.5 Si1 C16 H16C 109.5 H16A C16 H16C 109.5 H16B C16 H16C 109.5 Si2 C17 H17A 109.5 Si2 C17 H17B 109.5 H17A C17 H17B 109.5 Si2 C17 H17C 109.5 H17A C17 H17C 109.5 H17B C17 H17C 109.5 Si2 C18 H18A 109.5 Si2 C18 H18B 109.5 H18A C18 H18B 109.5 Si2 C18 H18C 109.5 H18A C18 H18C 109.5 H18B C18 H18C 109.5 Si2 C19 H19A 109.5 Si2 C19 H19B 109.5 H19A C19 H19B 109.5 Si2 C19 H19C 109.5 H19A C19 H19C 109.5 H19B C19 H19C 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Si1 C16 1.856(2) Si1 C14 1.865(2) Si1 C15 1.870(2) Si1 C1 1.872(2) Si2 C18 1.855(2) Si2 C17 1.865(3) Si2 C19 1.867(2) Si2 C7 1.879(2) N1 C11 1.383(2) N1 C5 1.394(2) N1 C13 1.453(2) C1 C6 1.397(2) C1 C2 1.414(3) C2 C3 1.370(3) C2 H2 0.9500 C3 C4 1.398(2) C3 H3 0.9500 C4 C5 1.411(3) C4 C10 1.444(2) C5 C6 1.386(3) C6 H6 0.9500 C7 C12 1.392(3) C7 C8 1.416(3) C8 C9 1.381(3) C8 H8 0.9500 C9 C10 1.385(3) C9 H9 0.9500 C10 C11 1.414(2) C11 C12 1.396(2) C12 H12 0.9500 C13 H13A 0.9800 C13 H13B 0.9800 C13 H13C 0.9800 C14 H14A 0.9800 C14 H14B 0.9800 C14 H14C 0.9800 C15 H15A 0.9800 C15 H15B 0.9800 C15 H15C 0.9800 C16 H16A 0.9800 C16 H16B 0.9800 C16 H16C 0.9800 C17 H17A 0.9800 C17 H17B 0.9800 C17 H17C 0.9800 C18 H18A 0.9800 C18 H18B 0.9800 C18 H18C 0.9800 C19 H19A 0.9800 C19 H19B 0.9800 C19 H19C 0.9800