data_02128cu _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C60 H110 Lu4 O6 Si4' _chemical_formula_weight 1739.72 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Lu' 'Lu' -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 24.440(4) _cell_length_b 18.673(3) _cell_length_c 14.797(2) _cell_angle_alpha 90.00 _cell_angle_beta 96.848(2) _cell_angle_gamma 90.00 _cell_volume 6704.8(17) _cell_formula_units_Z 4 _cell_measurement_temperature 173(1) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.8 _exptl_crystal_size_mid 0.8 _exptl_crystal_size_min 0.7 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.723 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3432 _exptl_absorpt_coefficient_mu 5.954 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.57 _exptl_absorpt_correction_T_max 0.93 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(1) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 19453 _diffrn_reflns_av_R_equivalents 0.0329 _diffrn_reflns_av_sigmaI/netI 0.0449 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 32 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.38 _diffrn_reflns_theta_max 28.06 _reflns_number_total 7418 _reflns_number_gt 5817 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0367P)^2^+0.0000P] 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 7418 _refine_ls_number_parameters 352 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0480 _refine_ls_R_factor_gt 0.0319 _refine_ls_wR_factor_ref 0.0775 _refine_ls_wR_factor_gt 0.0727 _refine_ls_goodness_of_fit_ref 1.058 _refine_ls_restrained_S_all 1.079 _refine_ls_shift/su_max 11.250 _refine_ls_shift/su_mean 0.346 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 Lu1 Lu 0.525885(11) 0.730514(13) 0.638844(17) 0.02011(8) Uani 1 1 d . . . Lu2 Lu 0.598645(11) 0.834337(14) 0.829533(18) 0.02361(8) Uani 1 1 d . . . Si1 Si 0.61175(9) 0.70154(12) 0.40684(15) 0.0410(5) Uani 1 1 d . . . Si2 Si 0.73547(9) 0.96529(11) 0.85597(18) 0.0447(6) Uani 1 1 d . . . O1 O 0.58861(18) 0.8086(2) 0.6816(3) 0.0255(10) Uani 1 1 d . . . O2 O 0.46722(18) 0.8092(2) 0.5837(3) 0.0260(10) Uani 1 1 d . . . O3 O 0.5698(2) 0.9367(3) 0.8071(3) 0.0454(13) Uani 1 1 d . . . C1 C 0.5719(3) 0.6755(3) 0.5028(4) 0.0245(14) Uani 1 1 d . . . C2 C 0.5159(3) 0.6510(3) 0.4884(4) 0.0257(14) Uani 1 1 d . . . C3 C 0.5063(3) 0.6040(3) 0.5577(5) 0.0297(15) Uani 1 1 d . . . C4 C 0.5560(3) 0.5968(3) 0.6177(5) 0.0347(17) Uani 1 1 d . . . C5 C 0.5959(3) 0.6405(3) 0.5843(4) 0.0283(15) Uani 1 1 d . . . C6 C 0.4757(3) 0.6655(4) 0.4039(5) 0.0431(19) Uani 1 1 d . . . H6A H 0.4408 0.6440 0.4107 0.065 Uiso 1 1 calc R . . H6B H 0.4899 0.6456 0.3516 0.065 Uiso 1 1 calc R . . H6C H 0.4711 0.7163 0.3959 0.065 Uiso 1 1 calc R . . C7 C 0.4547(3) 0.5601(4) 0.5624(6) 0.052(2) Uani 1 1 d . . . H7A H 0.4261 0.5904 0.5800 0.077 Uiso 1 1 calc R . . H7B H 0.4623 0.5226 0.6064 0.077 Uiso 1 1 calc R . . H7C H 0.4431 0.5396 0.5037 0.077 Uiso 1 1 calc R . . C8 C 0.5668(4) 0.5453(5) 0.6971(6) 0.066(3) Uani 1 1 d . . . H8A H 0.5863 0.5698 0.7482 0.099 Uiso 1 1 calc R . . H8B H 0.5887 0.5060 0.6801 0.099 Uiso 1 1 calc R . . H8C H 0.5324 0.5277 0.7133 0.099 Uiso 1 1 calc R . . C9 C 0.6551(3) 0.6473(5) 0.6264(6) 0.052(2) Uani 1 1 d . . . H9A H 0.6599 0.6225 0.6836 0.077 Uiso 1 1 calc R . . H9B H 0.6641 0.6970 0.6360 0.077 Uiso 1 1 calc R . . H9C H 0.6789 0.6268 0.5862 0.077 Uiso 1 1 calc R . . C10 C 0.6213(5) 0.6161(5) 0.3448(7) 0.077(3) Uani 1 1 d . . . H10A H 0.6395 0.6259 0.2921 0.116 Uiso 1 1 calc R . . H10B H 0.5860 0.5948 0.3262 0.116 Uiso 1 1 calc R . . H10C H 0.6433 0.5837 0.3842 0.116 Uiso 1 1 calc R . . C11 C 0.5773(5) 0.7657(5) 0.3228(6) 0.077(3) Uani 1 1 d . . . H11A H 0.5779 0.8127 0.3492 0.115 Uiso 1 1 calc R . . H11B H 0.5398 0.7511 0.3059 0.115 Uiso 1 1 calc R . . H11C H 0.5963 0.7666 0.2697 0.115 Uiso 1 1 calc R . . C12 C 0.6799(4) 0.7413(6) 0.4421(7) 0.080(3) Uani 1 1 d . . . H12A H 0.7049 0.7046 0.4668 0.119 Uiso 1 1 calc R . . H12B H 0.6767 0.7772 0.4876 0.119 Uiso 1 1 calc R . . H12C H 0.6937 0.7627 0.3904 0.119 Uiso 1 1 calc R . . C13 C 0.6986(3) 0.8807(3) 0.8790(4) 0.0288(15) Uani 1 1 d . . . C14 C 0.7065(3) 0.8127(3) 0.8381(4) 0.0267(14) Uani 1 1 d . . . C15 C 0.6873(3) 0.7583(4) 0.8921(5) 0.0321(16) Uani 1 1 d . . . C16 C 0.6694(3) 0.7910(4) 0.9687(5) 0.0364(18) Uani 1 1 d . . . C17 C 0.6758(3) 0.8652(4) 0.9622(4) 0.0334(16) Uani 1 1 d . . . C18 C 0.7365(3) 0.7994(4) 0.7571(5) 0.0426(19) Uani 1 1 d . . . H18A H 0.7754 0.8044 0.7745 0.064 Uiso 1 1 calc R . . H18B H 0.7246 0.8336 0.7103 0.064 Uiso 1 1 calc R . . H18C H 0.7286 0.7519 0.7347 0.064 Uiso 1 1 calc R . . C19 C 0.6932(3) 0.6793(4) 0.8793(6) 0.056(2) Uani 1 1 d . . . H19A H 0.7172 0.6599 0.9295 0.083 Uiso 1 1 calc R . . H19B H 0.7086 0.6704 0.8237 0.083 Uiso 1 1 calc R . . H19C H 0.6577 0.6570 0.8766 0.083 Uiso 1 1 calc R . . C20 C 0.6497(4) 0.7500(6) 1.0473(6) 0.075(3) Uani 1 1 d . . . H20A H 0.6342 0.7829 1.0872 0.112 Uiso 1 1 calc R . . H20B H 0.6802 0.7253 1.0802 0.112 Uiso 1 1 calc R . . H20C H 0.6221 0.7159 1.0241 0.112 Uiso 1 1 calc R . . C21 C 0.6654(3) 0.9185(5) 1.0350(6) 0.065(3) Uani 1 1 d . . . H21A H 0.6468 0.8951 1.0804 0.097 Uiso 1 1 calc R . . H21B H 0.6430 0.9569 1.0082 0.097 Uiso 1 1 calc R . . H21C H 0.6999 0.9373 1.0628 0.097 Uiso 1 1 calc R . . C22 C 0.8080(3) 0.9542(5) 0.9081(7) 0.070(3) Uani 1 1 d . . . H22A H 0.8088 0.9470 0.9724 0.106 Uiso 1 1 calc R . . H22B H 0.8286 0.9965 0.8972 0.106 Uiso 1 1 calc R . . H22C H 0.8240 0.9136 0.8815 0.106 Uiso 1 1 calc R . . C23 C 0.7362(4) 0.9845(6) 0.7331(7) 0.088(4) Uani 1 1 d . . . H23A H 0.7554 1.0286 0.7261 0.131 Uiso 1 1 calc R . . H23B H 0.6991 0.9884 0.7041 0.131 Uiso 1 1 calc R . . H23C H 0.7546 0.9462 0.7055 0.131 Uiso 1 1 calc R . . C24 C 0.7078(4) 1.0478(5) 0.9062(9) 0.094(4) Uani 1 1 d . . . H24A H 0.7198 1.0493 0.9703 0.141 Uiso 1 1 calc R . . H24B H 0.6682 1.0471 0.8964 0.141 Uiso 1 1 calc R . . H24C H 0.7210 1.0894 0.8776 0.141 Uiso 1 1 calc R . . C25 C 0.6127(3) 0.8596(4) 0.6256(5) 0.0362(17) Uani 1 1 d . . . H25A H 0.6265 0.8998 0.6630 0.043 Uiso 1 1 calc R . . H25B H 0.6440 0.8374 0.6019 0.043 Uiso 1 1 calc R . . C26 C 0.5756(3) 0.8854(5) 0.5514(6) 0.079(2) Uani 1 1 d D . . H26A H 0.5837 0.9362 0.5550 0.095 Uiso 1 1 calc R . . H26B H 0.5937 0.8687 0.5005 0.095 Uiso 1 1 calc R . . C27 C 0.5265(3) 0.8868(4) 0.5158(6) 0.080(2) Uani 1 1 d D . . H27A H 0.5322 0.8815 0.4524 0.096 Uiso 1 1 calc R . . H27B H 0.5189 0.9374 0.5220 0.096 Uiso 1 1 calc R . . C28 C 0.4738(3) 0.8602(4) 0.5122(5) 0.0382(18) Uani 1 1 d . . . H28A H 0.4640 0.8372 0.4537 0.046 Uiso 1 1 calc R . . H28B H 0.4485 0.8997 0.5165 0.046 Uiso 1 1 calc R . . C29 C 0.5702(4) 1.0048(5) 0.7827(8) 0.069(3) Uani 1 1 d . . . H29A H 0.6008 1.0094 0.7469 0.083 Uiso 1 1 calc R . . H29B H 0.5807 1.0312 0.8385 0.083 Uiso 1 1 calc R . . C30 C 0.5279(3) 1.0435(4) 0.7364(6) 0.050(2) Uani 1 1 d . . . H30A H 0.5246 1.0277 0.6735 0.060 Uiso 1 1 calc R . . H30B H 0.5399 1.0930 0.7368 0.060 Uiso 1 1 calc R . . H1 H 0.454(3) 0.717(4) 0.714(5) 0.04(2) 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 Lu1 0.02217(14) 0.01859(13) 0.01919(13) -0.00351(10) 0.00087(10) 0.00110(10) Lu2 0.02396(15) 0.02575(15) 0.02017(14) 0.00025(11) -0.00128(11) -0.00056(11) Si1 0.0475(13) 0.0373(11) 0.0432(12) -0.0140(10) 0.0263(10) -0.0130(10) Si2 0.0258(11) 0.0317(11) 0.0750(16) 0.0149(11) -0.0014(11) -0.0059(8) O1 0.029(3) 0.025(2) 0.021(2) 0.0003(18) 0.0003(19) -0.0038(19) O2 0.027(3) 0.027(2) 0.023(2) 0.0054(19) 0.0007(19) 0.0011(19) O3 0.063(4) 0.030(3) 0.043(3) 0.005(2) 0.006(3) 0.009(3) C1 0.025(3) 0.025(3) 0.025(3) -0.007(3) 0.006(3) 0.000(3) C2 0.025(4) 0.025(3) 0.027(3) -0.011(3) 0.004(3) 0.000(3) C3 0.036(4) 0.023(3) 0.033(4) -0.012(3) 0.015(3) -0.004(3) C4 0.055(5) 0.021(3) 0.030(4) -0.006(3) 0.011(4) 0.012(3) C5 0.027(4) 0.026(3) 0.031(3) -0.011(3) 0.001(3) 0.009(3) C6 0.034(4) 0.059(5) 0.034(4) -0.014(4) -0.005(3) -0.001(4) C7 0.060(6) 0.038(4) 0.062(5) -0.017(4) 0.032(5) -0.022(4) C8 0.107(9) 0.048(5) 0.047(5) 0.017(4) 0.029(5) 0.029(5) C9 0.035(5) 0.057(5) 0.058(5) -0.010(4) -0.008(4) 0.021(4) C10 0.101(8) 0.060(6) 0.084(7) -0.031(5) 0.069(7) -0.021(6) C11 0.125(10) 0.068(7) 0.041(5) 0.007(5) 0.031(6) -0.020(6) C12 0.060(7) 0.092(8) 0.095(8) -0.030(7) 0.045(6) -0.037(6) C13 0.022(3) 0.030(4) 0.033(4) 0.002(3) 0.001(3) -0.009(3) C14 0.019(3) 0.032(4) 0.027(3) 0.002(3) -0.006(3) -0.001(3) C15 0.023(4) 0.034(4) 0.036(4) 0.006(3) -0.011(3) -0.003(3) C16 0.026(4) 0.052(5) 0.028(4) 0.018(3) -0.011(3) -0.010(3) C17 0.020(3) 0.053(5) 0.026(3) -0.010(3) -0.002(3) -0.009(3) C18 0.035(4) 0.055(5) 0.039(4) -0.007(4) 0.007(4) 0.009(4) C19 0.046(5) 0.037(4) 0.079(6) 0.013(4) -0.014(5) -0.003(4) C20 0.053(6) 0.119(9) 0.049(5) 0.049(6) -0.013(5) -0.017(6) C21 0.041(5) 0.101(8) 0.053(5) -0.041(5) 0.005(4) -0.019(5) C22 0.031(5) 0.047(5) 0.128(9) 0.041(6) -0.015(5) -0.016(4) C23 0.072(8) 0.084(8) 0.102(8) 0.065(7) -0.008(6) -0.023(6) C24 0.062(7) 0.037(5) 0.182(14) -0.027(7) 0.015(8) -0.011(5) C25 0.035(4) 0.040(4) 0.033(4) 0.008(3) 0.001(3) -0.013(3) C26 0.063(5) 0.088(5) 0.079(5) 0.036(4) -0.017(4) -0.029(4) C27 0.053(5) 0.105(5) 0.079(5) 0.045(4) -0.004(4) -0.008(4) C28 0.037(4) 0.047(4) 0.029(4) 0.018(3) -0.002(3) 0.002(3) C29 0.045(5) 0.042(5) 0.117(9) 0.014(5) -0.006(6) -0.001(4) C30 0.061(6) 0.024(4) 0.064(6) 0.000(4) 0.002(5) -0.004(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 Lu1 O2 2.145(4) . ? Lu1 O1 2.155(4) . ? Lu1 C5 2.594(6) . ? Lu1 C1 2.629(6) . ? Lu1 C4 2.632(6) . ? Lu1 C2 2.663(6) . ? Lu1 C3 2.668(6) . ? Lu1 Lu1 3.6626(7) 2_656 ? Lu1 Lu2 3.6851(6) 2_656 ? Lu1 Lu2 3.6995(5) . ? Lu1 H1 2.21(7) . ? Lu2 O3 2.051(5) . ? Lu2 O2 2.225(4) 2_656 ? Lu2 O1 2.226(4) . ? Lu2 C13 2.612(6) . ? Lu2 C17 2.618(6) . ? Lu2 C16 2.652(6) . ? Lu2 C14 2.655(6) . ? Lu2 C15 2.663(7) . ? Lu2 Lu1 3.6851(6) 2_656 ? Si1 C12 1.841(9) . ? Si1 C11 1.856(10) . ? Si1 C10 1.869(8) . ? Si1 C1 1.879(7) . ? Si2 C23 1.856(10) . ? Si2 C22 1.858(8) . ? Si2 C24 1.873(9) . ? Si2 C13 1.870(7) . ? O1 C25 1.433(8) . ? O2 C28 1.447(7) . ? O2 Lu2 2.225(4) 2_656 ? O3 C29 1.322(9) . ? C1 C5 1.435(9) . ? C1 C2 1.434(9) . ? C2 C3 1.391(9) . ? C2 C6 1.519(9) . ? C3 C4 1.422(10) . ? C3 C7 1.512(9) . ? C4 C5 1.406(10) . ? C4 C8 1.517(10) . ? C5 C9 1.510(10) . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 H10A 0.9601 . ? C10 H10B 0.9601 . ? C10 H10C 0.9601 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 C14 1.428(9) . ? C13 C17 1.440(9) . ? C14 C15 1.407(9) . ? C14 C18 1.498(9) . ? C15 C16 1.403(10) . ? C15 C19 1.496(10) . ? C16 C17 1.399(10) . ? C16 C20 1.517(10) . ? C17 C21 1.510(10) . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9601 . ? C22 H22B 0.9601 . ? C22 H22C 0.9601 . ? C23 H23A 0.9601 . ? C23 H23B 0.9601 . ? C23 H23C 0.9601 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 C26 1.423(10) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 C27 1.251(9) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 C28 1.376(10) . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? C29 C30 1.375(11) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 C30 1.467(16) 2_656 ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? 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 O2 Lu1 O1 93.88(16) . . ? O2 Lu1 C5 139.58(19) . . ? O1 Lu1 C5 93.27(19) . . ? O2 Lu1 C1 107.70(18) . . ? O1 Lu1 C1 97.76(18) . . ? C5 Lu1 C1 31.9(2) . . ? O2 Lu1 C4 142.0(2) . . ? O1 Lu1 C4 118.5(2) . . ? C5 Lu1 C4 31.2(2) . . ? C1 Lu1 C4 52.2(2) . . ? O2 Lu1 C2 94.23(18) . . ? O1 Lu1 C2 127.86(18) . . ? C5 Lu1 C2 51.5(2) . . ? C1 Lu1 C2 31.44(19) . . ? C4 Lu1 C2 51.0(2) . . ? O2 Lu1 C3 111.1(2) . . ? O1 Lu1 C3 144.52(19) . . ? C5 Lu1 C3 51.4(2) . . ? C1 Lu1 C3 51.62(19) . . ? C4 Lu1 C3 31.1(2) . . ? C2 Lu1 C3 30.24(19) . . ? O2 Lu1 Lu1 93.13(11) . 2_656 ? O1 Lu1 Lu1 92.66(11) . 2_656 ? C5 Lu1 Lu1 126.19(15) . 2_656 ? C1 Lu1 Lu1 155.90(14) . 2_656 ? C4 Lu1 Lu1 103.78(15) . 2_656 ? C2 Lu1 Lu1 138.05(14) . 2_656 ? C3 Lu1 Lu1 109.98(14) . 2_656 ? O2 Lu1 Lu2 33.19(11) . 2_656 ? O1 Lu1 Lu2 100.14(12) . 2_656 ? C5 Lu1 Lu2 164.91(14) . 2_656 ? C1 Lu1 Lu2 137.54(14) . 2_656 ? C4 Lu1 Lu2 139.54(17) . 2_656 ? C2 Lu1 Lu2 113.87(14) . 2_656 ? C3 Lu1 Lu2 114.63(15) . 2_656 ? Lu1 Lu1 Lu2 60.461(8) 2_656 2_656 ? O2 Lu1 Lu2 99.76(11) . . ? O1 Lu1 Lu2 33.00(11) . . ? C5 Lu1 Lu2 107.56(14) . . ? C1 Lu1 Lu2 125.34(14) . . ? C4 Lu1 Lu2 118.18(16) . . ? C2 Lu1 Lu2 156.60(14) . . ? C3 Lu1 Lu2 148.38(16) . . ? Lu1 Lu1 Lu2 60.070(11) 2_656 . ? Lu2 Lu1 Lu2 87.512(12) 2_656 . ? O2 Lu1 H1 74.3(18) . . ? O1 Lu1 H1 120.8(18) . . ? C5 Lu1 H1 132.8(18) . . ? C1 Lu1 H1 141.4(18) . . ? C4 Lu1 H1 101.8(18) . . ? C2 Lu1 H1 111.0(18) . . ? C3 Lu1 H1 90.9(18) . . ? Lu1 Lu1 H1 33.5(18) 2_656 . ? Lu2 Lu1 H1 43.4(18) 2_656 . ? Lu2 Lu1 H1 90.9(18) . . ? O3 Lu2 O2 91.79(19) . 2_656 ? O3 Lu2 O1 92.68(18) . . ? O2 Lu2 O1 121.29(15) 2_656 . ? O3 Lu2 C13 91.6(2) . . ? O2 Lu2 C13 128.67(18) 2_656 . ? O1 Lu2 C13 109.67(19) . . ? O3 Lu2 C17 96.8(2) . . ? O2 Lu2 C17 96.87(18) 2_656 . ? O1 Lu2 C17 140.33(19) . . ? C13 Lu2 C17 32.0(2) . . ? O3 Lu2 C16 126.1(2) . . ? O2 Lu2 C16 86.39(19) 2_656 . ? O1 Lu2 C16 133.1(2) . . ? C13 Lu2 C16 51.9(2) . . ? C17 Lu2 C16 30.8(2) . . ? O3 Lu2 C14 118.0(2) . . ? O2 Lu2 C14 136.29(18) 2_656 . ? O1 Lu2 C14 90.38(18) . . ? C13 Lu2 C14 31.5(2) . . ? C17 Lu2 C14 51.3(2) . . ? C16 Lu2 C14 50.6(2) . . ? O3 Lu2 C15 143.4(2) . . ? O2 Lu2 C15 107.57(19) 2_656 . ? O1 Lu2 C15 102.52(19) . . ? C13 Lu2 C15 52.0(2) . . ? C17 Lu2 C15 51.2(2) . . ? C16 Lu2 C15 30.6(2) . . ? C14 Lu2 C15 30.7(2) . . ? O3 Lu2 Lu1 103.76(16) . 2_656 ? O2 Lu2 Lu1 31.86(10) 2_656 2_656 ? O1 Lu2 Lu1 90.89(11) . 2_656 ? C13 Lu2 Lu1 153.83(14) . 2_656 ? C17 Lu2 Lu1 123.52(16) . 2_656 ? C16 Lu2 Lu1 102.26(15) . 2_656 ? C14 Lu2 Lu1 138.11(14) . 2_656 ? C15 Lu2 Lu1 109.01(15) . 2_656 ? O3 Lu2 Lu1 103.92(15) . . ? O2 Lu2 Lu1 90.83(10) 2_656 . ? O1 Lu2 Lu1 31.82(11) . . ? C13 Lu2 Lu1 137.36(15) . . ? C17 Lu2 Lu1 157.61(17) . . ? C16 Lu2 Lu1 129.92(17) . . ? C14 Lu2 Lu1 109.95(14) . . ? C15 Lu2 Lu1 106.46(15) . . ? Lu1 Lu2 Lu1 59.470(11) 2_656 . ? C12 Si1 C11 104.7(5) . . ? C12 Si1 C10 108.8(5) . . ? C11 Si1 C10 107.2(5) . . ? C12 Si1 C1 115.0(4) . . ? C11 Si1 C1 116.0(4) . . ? C10 Si1 C1 104.9(3) . . ? C23 Si2 C22 107.9(5) . . ? C23 Si2 C24 106.1(6) . . ? C22 Si2 C24 107.4(5) . . ? C23 Si2 C13 113.7(4) . . ? C22 Si2 C13 106.7(3) . . ? C24 Si2 C13 114.7(4) . . ? C25 O1 Lu1 127.4(4) . . ? C25 O1 Lu2 114.9(4) . . ? Lu1 O1 Lu2 115.18(19) . . ? C28 O2 Lu1 127.0(4) . . ? C28 O2 Lu2 115.8(4) . 2_656 ? Lu1 O2 Lu2 114.95(18) . 2_656 ? C29 O3 Lu2 158.0(6) . . ? C5 C1 C2 105.5(6) . . ? C5 C1 Si1 123.8(5) . . ? C2 C1 Si1 122.8(5) . . ? C5 C1 Lu1 72.7(3) . . ? C2 C1 Lu1 75.6(3) . . ? Si1 C1 Lu1 141.7(3) . . ? C3 C2 C1 109.5(6) . . ? C3 C2 C6 124.8(6) . . ? C1 C2 C6 125.2(6) . . ? C3 C2 Lu1 75.1(4) . . ? C1 C2 Lu1 73.0(3) . . ? C6 C2 Lu1 125.0(4) . . ? C2 C3 C4 108.3(6) . . ? C2 C3 C7 126.2(7) . . ? C4 C3 C7 125.1(7) . . ? C2 C3 Lu1 74.7(4) . . ? C4 C3 Lu1 73.1(3) . . ? C7 C3 Lu1 124.4(4) . . ? C5 C4 C3 107.6(6) . . ? C5 C4 C8 125.1(7) . . ? C3 C4 C8 126.9(7) . . ? C5 C4 Lu1 72.9(4) . . ? C3 C4 Lu1 75.8(4) . . ? C8 C4 Lu1 122.3(5) . . ? C4 C5 C1 109.2(6) . . ? C4 C5 C9 125.1(7) . . ? C1 C5 C9 125.7(7) . . ? C4 C5 Lu1 75.9(4) . . ? C1 C5 Lu1 75.4(3) . . ? C9 C5 Lu1 116.9(4) . . ? C2 C6 H6A 109.4 . . ? C2 C6 H6B 109.6 . . ? H6A C6 H6B 109.5 . . ? C2 C6 H6C 109.4 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C3 C7 H7A 109.5 . . ? C3 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C3 C7 H7C 109.4 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C4 C8 H8A 109.6 . . ? C4 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C4 C8 H8C 109.3 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C5 C9 H9A 109.5 . . ? C5 C9 H9B 109.4 . . ? H9A C9 H9B 109.5 . . ? C5 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? Si1 C10 H10A 109.6 . . ? Si1 C10 H10B 109.4 . . ? H10A C10 H10B 109.5 . . ? Si1 C10 H10C 109.4 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? Si1 C11 H11A 109.4 . . ? Si1 C11 H11B 109.6 . . ? H11A C11 H11B 109.5 . . ? Si1 C11 H11C 109.4 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? Si1 C12 H12A 109.4 . . ? Si1 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? Si1 C12 H12C 109.4 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C14 C13 C17 105.6(6) . . ? C14 C13 Si2 125.5(5) . . ? C17 C13 Si2 124.7(5) . . ? C14 C13 Lu2 75.9(4) . . ? C17 C13 Lu2 74.3(4) . . ? Si2 C13 Lu2 133.1(3) . . ? C15 C14 C13 109.3(6) . . ? C15 C14 C18 124.2(6) . . ? C13 C14 C18 126.1(6) . . ? C15 C14 Lu2 75.0(4) . . ? C13 C14 Lu2 72.6(4) . . ? C18 C14 Lu2 124.3(4) . . ? C16 C15 C14 107.6(6) . . ? C16 C15 C19 125.1(7) . . ? C14 C15 C19 126.6(7) . . ? C16 C15 Lu2 74.3(4) . . ? C14 C15 Lu2 74.3(4) . . ? C19 C15 Lu2 124.6(5) . . ? C17 C16 C15 109.0(6) . . ? C17 C16 C20 126.9(8) . . ? C15 C16 C20 123.9(8) . . ? C17 C16 Lu2 73.3(4) . . ? C15 C16 Lu2 75.1(4) . . ? C20 C16 Lu2 120.8(5) . . ? C16 C17 C13 108.4(6) . . ? C16 C17 C21 125.0(7) . . ? C13 C17 C21 126.3(7) . . ? C16 C17 Lu2 76.0(4) . . ? C13 C17 Lu2 73.8(4) . . ? C21 C17 Lu2 120.8(5) . . ? C14 C18 H18A 109.5 . . ? C14 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C14 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C15 C19 H19A 109.4 . . ? C15 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C15 C19 H19C 109.4 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C16 C20 H20A 109.6 . . ? C16 C20 H20B 109.4 . . ? H20A C20 H20B 109.5 . . ? C16 C20 H20C 109.4 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C17 C21 H21A 109.4 . . ? C17 C21 H21B 109.4 . . ? H21A C21 H21B 109.5 . . ? C17 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? Si2 C22 H22A 109.5 . . ? Si2 C22 H22B 109.4 . . ? H22A C22 H22B 109.5 . . ? Si2 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? Si2 C23 H23A 109.4 . . ? Si2 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? Si2 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? Si2 C24 H24A 109.8 . . ? Si2 C24 H24B 109.3 . . ? H24A C24 H24B 109.5 . . ? Si2 C24 H24C 109.3 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C26 C25 O1 113.7(6) . . ? C26 C25 H25A 109.3 . . ? O1 C25 H25A 108.9 . . ? C26 C25 H25B 108.1 . . ? O1 C25 H25B 109.0 . . ? H25A C25 H25B 107.7 . . ? C27 C26 C25 145.4(9) . . ? C27 C26 H26A 100.0 . . ? C25 C26 H26A 100.0 . . ? C27 C26 H26B 101.0 . . ? C25 C26 H26B 101.0 . . ? H26A C26 H26B 104.3 . . ? C26 C27 C28 148.7(9) . . ? C26 C27 H27A 98.9 . . ? C28 C27 H27A 99.7 . . ? C26 C27 H27B 100.0 . . ? C28 C27 H27B 99.6 . . ? H27A C27 H27B 104.1 . . ? C27 C28 O2 113.2(6) . . ? C27 C28 H28A 108.8 . . ? O2 C28 H28A 109.0 . . ? C27 C28 H28B 109.0 . . ? O2 C28 H28B 109.0 . . ? H28A C28 H28B 107.7 . . ? O3 C29 C30 127.8(8) . . ? O3 C29 H29A 105.5 . . ? C30 C29 H29A 105.4 . . ? O3 C29 H29B 105.1 . . ? C30 C29 H29B 105.3 . . ? H29A C29 H29B 106.0 . . ? C29 C30 C30 122.1(9) . 2_656 ? C29 C30 H30A 106.7 . . ? C30 C30 H30A 106.9 2_656 . ? C29 C30 H30B 106.8 . . ? C30 C30 H30B 106.8 2_656 . ? H30A C30 H30B 106.6 . . ? _diffrn_measured_fraction_theta_max 0.910 _diffrn_reflns_theta_full 28.06 _diffrn_measured_fraction_theta_full 0.910 _refine_diff_density_max 1.808 _refine_diff_density_min -2.442 _refine_diff_density_rms 0.158