# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005 data_global _journal_coden_Cambridge 182 _publ_contact_author_name 'Louis Messerle' _publ_contact_author_address ; Department of Chemistry University Iowa Iowa City Iowa 52242 UNITED STATES OF AMERICA ; _publ_contact_author_email LOU-MESSERLE@UIOWA.EDU _publ_requested_journal 'Chemical Communications' _publ_section_title ; Four-electron reduction of dinitrogen during solution disproportion-ation of the organodimetallic (n-C5Me4R)2Ta2(\m-Cl)4 (R = Me, Et) to a new \m-n1,n1-N2 complex and odd electron organotrimetallic cluster ; loop_ _publ_author_name _publ_author_address 'Lee, Ting-Yu' ; Department of Chemistry The University of Iowa Corner of Market and Madison Streets Iowa City, IA. 52242 United States of America ; 'Wooten, Alfred J.' ; Department of Chemistry The University of Iowa Corner of Market and Madison Streets Iowa City, IA. 52242 United States of America ; 'Luci, Jeffery J.' ; Department of Chemistry The University of Iowa Corner of Market and Madison Streets Iowa City, IA. 52242 United States of America ; 'Swenson, Dale C.' ; Department of Chemistry The University of Iowa Corner of Market and Madison Streets Iowa City, IA. 52242 United States of America ; 'Messerle, Louis' ; Department of Chemistry The University of Iowa Corner of Market and Madison Streets Iowa City, IA. 52242 United States of America ; #============================================================================ data_mes21_(C5Me4Et)2Ta2Cl4(u-N2) _database_code_depnum_ccdc_archive 'CCDC 274833' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C22 H34 Cl4 N2 Ta2' _chemical_formula_sum 'C22 H34 Cl4 N2 Ta2' _chemical_formula_weight 830.21 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P 2(1)/n ' loop_ _symmetry_equiv_pos_as_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' _cell_length_a 12.0707(10) _cell_length_b 9.0298(10) _cell_length_c 12.4470(10) _cell_angle_alpha 90.00 _cell_angle_beta 95.857(10) _cell_angle_gamma 90.00 _cell_volume 1349.6(2) _cell_formula_units_Z 2 _cell_measurement_temperature 190(2) _cell_measurement_reflns_used 5969 _cell_measurement_theta_min 2.9 _cell_measurement_theta_max 27.5 _exptl_crystal_description prism _exptl_crystal_colour 'dark red' _exptl_crystal_size_max 0.51 _exptl_crystal_size_mid 0.29 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.043 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 788 _exptl_absorpt_coefficient_mu 8.510 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.0979 _exptl_absorpt_correction_T_max 0.2809 _exptl_absorpt_process_details 'HKL2000 Scalepack (Otwinowski & Minor, 1997)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 190(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 KappaCCD _diffrn_measurement_method CCD _diffrn_detector_area_resol_mean 9 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24923 _diffrn_reflns_av_R_equivalents 0.0308 _diffrn_reflns_av_sigmaI/netI 0.0250 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 3.2 _diffrn_reflns_theta_max 27.5 _reflns_number_total 3098 _reflns_number_gt 2802 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius BV, 1997-2000)' _computing_cell_refinement 'HKL2000 Scalepack (Otwinowski & Minor, 1997)' _computing_data_reduction 'HKL2000 Denzo & Scalepack (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXTL v6.1 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXTL v6.1 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL v6.1 (Sheldrick, 1997)' _computing_publication_material 'SHELXTL v6.1 (Sheldrick, 1997)' _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^)+(0.0282P)^2^+1.5379P] 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 riding _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00264(19) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 3098 _refine_ls_number_parameters 142 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0275 _refine_ls_R_factor_gt 0.0230 _refine_ls_wR_factor_ref 0.0560 _refine_ls_wR_factor_gt 0.0542 _refine_ls_goodness_of_fit_ref 1.099 _refine_ls_restrained_S_all 1.099 _refine_ls_shift/su_max 0.028 _refine_ls_shift/su_mean 0.001 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 Ta1 Ta 0.302383(10) 0.057203(15) 0.988648(11) 0.02018(7) Uani 1 1 d . . . Cl1 Cl 0.25241(9) 0.11288(13) 0.80699(8) 0.0412(2) Uani 1 1 d . . . Cl2 Cl 0.21885(9) -0.17043(11) 1.02068(9) 0.0407(2) Uani 1 1 d . . . N1 N 0.4470(2) 0.0058(4) 0.9909(3) 0.0275(6) Uani 1 1 d . . . Cx1 C 0.26210 0.22537 1.09371 0.001 Uiso 0 1 calc . . . C1 C 0.1860(3) 0.2703(4) 1.0312(3) 0.0235(7) Uani 1 1 d . . . C2 C 0.2998(3) 0.3137(4) 1.0360(3) 0.0215(7) Uani 1 1 d . . . C3 C 0.3613(3) 0.2374(4) 1.1211(3) 0.0217(7) Uani 1 1 d . . . C4 C 0.2863(3) 0.1415(4) 1.1674(3) 0.0234(7) Uani 1 1 d . . . C5 C 0.1772(3) 0.1640(4) 1.1129(3) 0.0247(7) Uani 1 1 d . . . C6 C 0.0929(3) 0.3334(5) 0.9564(4) 0.0420(10) Uani 1 1 d . . . H6A H 0.1145 0.3345 0.8826 0.063 Uiso 1 1 calc R . . H6B H 0.0773 0.4347 0.9787 0.063 Uiso 1 1 calc R . . H6C H 0.0261 0.2723 0.9589 0.063 Uiso 1 1 calc R . . C7 C 0.3450(4) 0.4319(4) 0.9658(4) 0.0360(9) Uani 1 1 d . . . H7A H 0.3436 0.5280 1.0021 0.054 Uiso 1 1 calc R . . H7B H 0.2990 0.4366 0.8963 0.054 Uiso 1 1 calc R . . H7C H 0.4218 0.4074 0.9536 0.054 Uiso 1 1 calc R . . C8 C 0.4817(3) 0.2594(5) 1.1589(3) 0.0337(9) Uani 1 1 d . . . H8A H 0.5120 0.1684 1.1934 0.051 Uiso 1 1 calc R . . H8B H 0.4895 0.3409 1.2111 0.051 Uiso 1 1 calc R . . H8C H 0.5226 0.2833 1.0971 0.051 Uiso 1 1 calc R . . C9 C 0.3141(5) 0.0421(5) 1.2628(3) 0.0429(11) Uani 1 1 d . . . H9A H 0.2647 -0.0443 1.2570 0.064 Uiso 1 1 calc R . . H9B H 0.3041 0.0963 1.3293 0.064 Uiso 1 1 calc R . . H9C H 0.3916 0.0093 1.2644 0.064 Uiso 1 1 calc R . . C10 C 0.0714(4) 0.0925(5) 1.1419(4) 0.0390(10) Uani 1 1 d . . . H10A H 0.0884 -0.0085 1.1700 0.047 Uiso 1 1 calc R . . H10B H 0.0185 0.0831 1.0760 0.047 Uiso 1 1 calc R . . C11 C 0.0168(4) 0.1812(6) 1.2265(4) 0.0526(13) Uani 1 1 d . . . H11A H -0.0482 0.1272 1.2470 0.079 Uiso 1 1 calc R . . H11B H -0.0068 0.2778 1.1964 0.079 Uiso 1 1 calc R . . H11C H 0.0703 0.1956 1.2903 0.079 Uiso 1 1 calc 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 Ta1 0.01367(9) 0.02209(10) 0.02499(10) -0.00601(5) 0.00289(6) 0.00139(5) Cl1 0.0427(6) 0.0557(6) 0.0244(5) -0.0081(4) -0.0001(4) 0.0045(5) Cl2 0.0357(5) 0.0238(5) 0.0639(7) -0.0059(4) 0.0112(5) -0.0048(4) N1 0.0204(14) 0.0304(16) 0.0316(17) -0.0117(14) 0.0020(13) 0.0041(13) C1 0.0209(17) 0.0248(17) 0.0248(17) -0.0043(14) 0.0028(14) 0.0049(13) C2 0.0268(18) 0.0212(17) 0.0175(16) -0.0035(13) 0.0078(13) -0.0005(13) C3 0.0206(17) 0.0212(17) 0.0232(16) -0.0061(13) 0.0014(13) 0.0022(13) C4 0.0328(19) 0.0179(17) 0.0204(16) -0.0004(13) 0.0064(14) 0.0037(13) C5 0.0219(17) 0.0259(17) 0.0281(17) -0.0055(14) 0.0109(14) -0.0013(14) C6 0.028(2) 0.052(3) 0.044(2) -0.003(2) -0.0060(18) 0.0158(19) C7 0.044(2) 0.029(2) 0.038(2) 0.0064(16) 0.0162(19) -0.0041(17) C8 0.0220(18) 0.040(2) 0.038(2) -0.0152(17) -0.0032(16) -0.0004(16) C9 0.065(3) 0.036(2) 0.028(2) 0.0089(17) 0.005(2) 0.004(2) C10 0.030(2) 0.035(2) 0.055(3) -0.007(2) 0.0219(19) -0.0079(18) C11 0.043(3) 0.061(3) 0.061(3) -0.018(2) 0.037(2) -0.017(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ta1 N1 1.804(3) . yes Ta1 Cl1 2.3347(10) . yes Ta1 Cl2 2.3415(10) . yes Ta1 Cx1 2.093 . yes Ta1 C3 2.373(3) . ? Ta1 C4 2.378(3) . ? Ta1 C2 2.391(3) . ? Ta1 C5 2.467(3) . ? Ta1 C1 2.472(3) . ? N1 N1 1.280(6) 3_657 yes C1 C5 1.411(5) . yes C1 C2 1.424(5) . yes C1 C6 1.497(5) . yes C2 C3 1.410(5) . yes C2 C7 1.516(5) . yes C3 C4 1.417(5) . yes C3 C8 1.495(5) . yes C4 C5 1.433(5) . yes C4 C9 1.499(5) . yes C5 C10 1.507(5) . yes C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 C11 1.525(6) . yes C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? 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 Ta1 Cl1 102.98(11) . . yes N1 Ta1 Cl2 101.78(11) . . yes Cl1 Ta1 Cl2 106.31(4) . . yes Cx1 Ta1 Cl1 113.3 . . yes Cx1 Ta1 Cl2 113.5 . . yes Cx1 Ta1 N1 117.6 . . yes N1 Ta1 C3 86.83(12) . . ? Cl1 Ta1 C3 123.69(9) . . ? Cl2 Ta1 C3 125.97(9) . . ? N1 Ta1 C4 103.83(13) . . ? Cl1 Ta1 C4 143.08(9) . . ? Cl2 Ta1 C4 92.52(9) . . ? C3 Ta1 C4 34.70(12) . . ? N1 Ta1 C2 106.42(13) . . ? Cl1 Ta1 C2 91.23(9) . . ? Cl2 Ta1 C2 142.34(8) . . ? C3 Ta1 C2 34.43(11) . . ? C4 Ta1 C2 56.97(11) . . ? N1 Ta1 C5 138.15(13) . . ? Cl1 Ta1 C5 114.13(9) . . ? Cl2 Ta1 C5 86.23(9) . . ? C3 Ta1 C5 57.03(12) . . ? C4 Ta1 C5 34.36(12) . . ? C2 Ta1 C5 56.11(11) . . ? N1 Ta1 C1 140.13(13) . . ? Cl1 Ta1 C1 86.76(9) . . ? Cl2 Ta1 C1 112.51(9) . . ? C3 Ta1 C1 56.91(11) . . ? C4 Ta1 C1 56.49(11) . . ? C2 Ta1 C1 34.00(12) . . ? C5 Ta1 C1 33.19(12) . . ? N1 N1 Ta1 166.3(4) 3_657 . yes C5 C1 C2 107.5(3) . . yes C5 C1 C6 126.9(4) . . yes C2 C1 C6 125.5(4) . . yes C5 C1 Ta1 73.2(2) . . ? C2 C1 Ta1 69.88(19) . . ? C6 C1 Ta1 124.7(3) . . ? C3 C2 C1 109.2(3) . . yes C3 C2 C7 125.7(3) . . yes C1 C2 C7 124.9(3) . . yes C3 C2 Ta1 72.09(19) . . ? C1 C2 Ta1 76.1(2) . . ? C7 C2 Ta1 121.7(2) . . ? C2 C3 C4 107.1(3) . . yes C2 C3 C8 126.3(3) . . yes C4 C3 C8 126.5(3) . . yes C2 C3 Ta1 73.47(19) . . ? C4 C3 Ta1 72.84(19) . . ? C8 C3 Ta1 121.5(2) . . ? C3 C4 C5 108.4(3) . . yes C3 C4 C9 126.0(4) . . yes C5 C4 C9 125.4(4) . . yes C3 C4 Ta1 72.45(19) . . ? C5 C4 Ta1 76.20(19) . . ? C9 C4 Ta1 121.1(3) . . ? C1 C5 C4 107.7(3) . . yes C1 C5 C10 126.3(4) . . yes C4 C5 C10 125.9(3) . . yes C1 C5 Ta1 73.61(19) . . ? C4 C5 Ta1 69.44(19) . . ? C10 C5 Ta1 124.8(3) . . ? C1 C6 H6A 109.5 . . ? C1 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C1 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C2 C7 H7A 109.5 . . ? C2 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C2 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C3 C8 H8A 109.5 . . ? C3 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C3 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C4 C9 H9A 109.5 . . ? C4 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C4 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C5 C10 C11 112.1(3) . . yes C5 C10 H10A 109.2 . . ? C11 C10 H10A 109.2 . . ? C5 C10 H10B 109.2 . . ? C11 C10 H10B 109.2 . . ? H10A C10 H10B 107.9 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? 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 Cl1 Ta1 N1 N1 122.8(18) . . . 3_657 ? Cl2 Ta1 N1 N1 -127.1(18) . . . 3_657 ? C3 Ta1 N1 N1 -1.0(18) . . . 3_657 ? C4 Ta1 N1 N1 -31.5(18) . . . 3_657 ? C2 Ta1 N1 N1 27.6(18) . . . 3_657 ? C5 Ta1 N1 N1 -29.6(19) . . . 3_657 ? C1 Ta1 N1 N1 22.1(19) . . . 3_657 ? N1 Ta1 C1 C5 -107.0(3) . . . . ? Cl1 Ta1 C1 C5 146.5(2) . . . . ? Cl2 Ta1 C1 C5 40.2(2) . . . . ? C3 Ta1 C1 C5 -79.0(2) . . . . ? C4 Ta1 C1 C5 -37.2(2) . . . . ? C2 Ta1 C1 C5 -116.4(3) . . . . ? N1 Ta1 C1 C2 9.4(3) . . . . ? Cl1 Ta1 C1 C2 -97.02(19) . . . . ? Cl2 Ta1 C1 C2 156.66(17) . . . . ? C3 Ta1 C1 C2 37.40(19) . . . . ? C4 Ta1 C1 C2 79.2(2) . . . . ? C5 Ta1 C1 C2 116.4(3) . . . . ? N1 Ta1 C1 C6 129.3(3) . . . . ? Cl1 Ta1 C1 C6 22.9(3) . . . . ? Cl2 Ta1 C1 C6 -83.4(3) . . . . ? C3 Ta1 C1 C6 157.3(4) . . . . ? C4 Ta1 C1 C6 -160.9(4) . . . . ? C2 Ta1 C1 C6 119.9(4) . . . . ? C5 Ta1 C1 C6 -123.7(4) . . . . ? C5 C1 C2 C3 -1.1(4) . . . . ? C6 C1 C2 C3 176.0(3) . . . . ? Ta1 C1 C2 C3 -65.1(2) . . . . ? C5 C1 C2 C7 -176.8(3) . . . . ? C6 C1 C2 C7 0.2(6) . . . . ? Ta1 C1 C2 C7 119.2(3) . . . . ? C5 C1 C2 Ta1 64.0(2) . . . . ? C6 C1 C2 Ta1 -119.0(4) . . . . ? N1 Ta1 C2 C3 -57.9(2) . . . . ? Cl1 Ta1 C2 C3 -161.78(19) . . . . ? Cl2 Ta1 C2 C3 79.0(2) . . . . ? C4 Ta1 C2 C3 38.2(2) . . . . ? C5 Ta1 C2 C3 79.7(2) . . . . ? C1 Ta1 C2 C3 115.8(3) . . . . ? N1 Ta1 C2 C1 -173.7(2) . . . . ? Cl1 Ta1 C2 C1 82.37(19) . . . . ? Cl2 Ta1 C2 C1 -36.8(3) . . . . ? C3 Ta1 C2 C1 -115.8(3) . . . . ? C4 Ta1 C2 C1 -77.6(2) . . . . ? C5 Ta1 C2 C1 -36.2(2) . . . . ? N1 Ta1 C2 C7 63.6(3) . . . . ? Cl1 Ta1 C2 C7 -40.4(3) . . . . ? Cl2 Ta1 C2 C7 -159.5(3) . . . . ? C3 Ta1 C2 C7 121.4(4) . . . . ? C4 Ta1 C2 C7 159.6(4) . . . . ? C5 Ta1 C2 C7 -158.9(4) . . . . ? C1 Ta1 C2 C7 -122.7(4) . . . . ? C1 C2 C3 C4 2.1(4) . . . . ? C7 C2 C3 C4 177.8(3) . . . . ? Ta1 C2 C3 C4 -65.6(2) . . . . ? C1 C2 C3 C8 -175.0(3) . . . . ? C7 C2 C3 C8 0.7(6) . . . . ? Ta1 C2 C3 C8 117.3(3) . . . . ? C1 C2 C3 Ta1 67.7(2) . . . . ? C7 C2 C3 Ta1 -116.6(4) . . . . ? N1 Ta1 C3 C2 125.6(2) . . . . ? Cl1 Ta1 C3 C2 22.1(2) . . . . ? Cl2 Ta1 C3 C2 -132.18(17) . . . . ? C4 Ta1 C3 C2 -114.4(3) . . . . ? C5 Ta1 C3 C2 -76.8(2) . . . . ? C1 Ta1 C3 C2 -36.92(19) . . . . ? N1 Ta1 C3 C4 -120.0(2) . . . . ? Cl1 Ta1 C3 C4 136.47(18) . . . . ? Cl2 Ta1 C3 C4 -17.8(2) . . . . ? C2 Ta1 C3 C4 114.4(3) . . . . ? C5 Ta1 C3 C4 37.7(2) . . . . ? C1 Ta1 C3 C4 77.5(2) . . . . ? N1 Ta1 C3 C8 2.7(3) . . . . ? Cl1 Ta1 C3 C8 -100.8(3) . . . . ? Cl2 Ta1 C3 C8 104.9(3) . . . . ? C4 Ta1 C3 C8 122.7(4) . . . . ? C2 Ta1 C3 C8 -122.9(4) . . . . ? C5 Ta1 C3 C8 160.3(3) . . . . ? C1 Ta1 C3 C8 -159.8(3) . . . . ? C2 C3 C4 C5 -2.4(4) . . . . ? C8 C3 C4 C5 174.7(3) . . . . ? Ta1 C3 C4 C5 -68.4(2) . . . . ? C2 C3 C4 C9 -177.9(3) . . . . ? C8 C3 C4 C9 -0.8(6) . . . . ? Ta1 C3 C4 C9 116.1(4) . . . . ? C2 C3 C4 Ta1 66.0(2) . . . . ? C8 C3 C4 Ta1 -116.9(3) . . . . ? N1 Ta1 C4 C3 62.9(2) . . . . ? Cl1 Ta1 C4 C3 -72.5(3) . . . . ? Cl2 Ta1 C4 C3 165.69(18) . . . . ? C2 Ta1 C4 C3 -37.89(19) . . . . ? C5 Ta1 C4 C3 -114.7(3) . . . . ? C1 Ta1 C4 C3 -78.8(2) . . . . ? N1 Ta1 C4 C5 177.6(2) . . . . ? Cl1 Ta1 C4 C5 42.2(3) . . . . ? Cl2 Ta1 C4 C5 -79.57(19) . . . . ? C3 Ta1 C4 C5 114.7(3) . . . . ? C2 Ta1 C4 C5 76.9(2) . . . . ? C1 Ta1 C4 C5 35.9(2) . . . . ? N1 Ta1 C4 C9 -59.0(4) . . . . ? Cl1 Ta1 C4 C9 165.5(3) . . . . ? Cl2 Ta1 C4 C9 43.7(3) . . . . ? C3 Ta1 C4 C9 -121.9(4) . . . . ? C2 Ta1 C4 C9 -159.8(4) . . . . ? C5 Ta1 C4 C9 123.3(4) . . . . ? C1 Ta1 C4 C9 159.2(4) . . . . ? C2 C1 C5 C4 -0.4(4) . . . . ? C6 C1 C5 C4 -177.4(4) . . . . ? Ta1 C1 C5 C4 61.4(2) . . . . ? C2 C1 C5 C10 176.7(3) . . . . ? C6 C1 C5 C10 -0.3(6) . . . . ? Ta1 C1 C5 C10 -121.5(4) . . . . ? C2 C1 C5 Ta1 -61.8(2) . . . . ? C6 C1 C5 Ta1 121.2(4) . . . . ? C3 C4 C5 C1 1.7(4) . . . . ? C9 C4 C5 C1 177.3(3) . . . . ? Ta1 C4 C5 C1 -64.1(2) . . . . ? C3 C4 C5 C10 -175.4(3) . . . . ? C9 C4 C5 C10 0.2(6) . . . . ? Ta1 C4 C5 C10 118.8(4) . . . . ? C3 C4 C5 Ta1 65.9(2) . . . . ? C9 C4 C5 Ta1 -118.5(4) . . . . ? N1 Ta1 C5 C1 113.2(3) . . . . ? Cl1 Ta1 C5 C1 -37.1(2) . . . . ? Cl2 Ta1 C5 C1 -143.3(2) . . . . ? C3 Ta1 C5 C1 78.6(2) . . . . ? C4 Ta1 C5 C1 116.7(3) . . . . ? C2 Ta1 C5 C1 37.1(2) . . . . ? N1 Ta1 C5 C4 -3.4(3) . . . . ? Cl1 Ta1 C5 C4 -153.76(18) . . . . ? Cl2 Ta1 C5 C4 100.05(19) . . . . ? C3 Ta1 C5 C4 -38.05(19) . . . . ? C2 Ta1 C5 C4 -79.6(2) . . . . ? C1 Ta1 C5 C4 -116.7(3) . . . . ? N1 Ta1 C5 C10 -123.6(4) . . . . ? Cl1 Ta1 C5 C10 86.1(3) . . . . ? Cl2 Ta1 C5 C10 -20.1(3) . . . . ? C3 Ta1 C5 C10 -158.2(4) . . . . ? C4 Ta1 C5 C10 -120.1(4) . . . . ? C2 Ta1 C5 C10 160.3(4) . . . . ? C1 Ta1 C5 C10 123.2(4) . . . . ? C1 C5 C10 C11 -89.0(5) . . . . ? C4 C5 C10 C11 87.6(5) . . . . ? Ta1 C5 C10 C11 176.2(3) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.184 _refine_diff_density_min -1.800 _refine_diff_density_rms 0.135 #====END # End of Crystallographic Information File data_mes6B_(C5Me4Et)3Ta3Cl6+_(C5Me4Et)TaCl4- _database_code_depnum_ccdc_archive 'CCDC 274834' _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C44 H68 Cl10 Ta4' _chemical_formula_weight 1675.28 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M 'P 2(1) 2(1) 2(1)' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' _cell_length_a 19.223(4) _cell_length_b 21.597(4) _cell_length_c 12.671(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 5260.5(19) _cell_formula_units_Z 4 _cell_measurement_temperature 210(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10.1 _cell_measurement_theta_max 14.9 _exptl_crystal_description prism _exptl_crystal_colour black _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.115 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3176 _exptl_absorpt_coefficient_mu 8.830 _exptl_absorpt_correction_type 'Psi scans' _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 210(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 9549 _diffrn_reflns_av_R_equivalents 0.0194 _diffrn_reflns_av_sigmaI/netI 0.0307 _diffrn_reflns_limit_h_min -2 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 2 _diffrn_reflns_theta_min 2.0 _diffrn_reflns_theta_max 25.0 _reflns_number_total 7165 _reflns_number_observed 6547 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction 'Molen (Fair, 1990) ' _computing_structure_solution 'SHELXTL v5.1 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXTL v5.1 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL v5.1 (Sheldrick, 1997)' _computing_publication_material 'SHELXTL v5.1 (Sheldrick, 1997)' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0250P)^2^+23.2202P] 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 riding _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.000033(9) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.016(10) _refine_ls_number_reflns 7165 _refine_ls_number_parameters 503 _refine_ls_number_restraints 48 _refine_ls_R_factor_all 0.0328 _refine_ls_R_factor_obs 0.0259 _refine_ls_wR_factor_all 0.0636 _refine_ls_wR_factor_obs 0.0602 _refine_ls_goodness_of_fit_all 1.056 _refine_ls_goodness_of_fit_obs 1.048 _refine_ls_restrained_S_all 1.072 _refine_ls_restrained_S_obs 1.066 _refine_ls_shift/esd_max -0.048 _refine_ls_shift/esd_mean 0.002 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Ta1 Ta -0.77867(2) -0.13268(2) -0.77263(3) 0.02573(9) Uani 1 d . . Ta2 Ta -0.94168(2) -0.11155(2) -0.77063(3) 0.02924(10) Uani 1 d . . Ta3 Ta -0.87147(2) -0.19331(2) -0.59242(3) 0.03000(10) Uani 1 d D . Cl1 Cl -0.86600(13) -0.15547(12) -0.9093(2) 0.0370(6) Uani 1 d . . Cl2 Cl -0.96448(14) -0.21894(12) -0.7179(2) 0.0440(6) Uani 1 d . . Cl3 Cl -0.79151(13) -0.24247(10) -0.7200(2) 0.0352(5) Uani 1 d . . Cl4 Cl -0.84562(13) -0.03520(10) -0.7646(2) 0.0384(6) Uani 1 d . . Cl5 Cl -0.94232(13) -0.09819(11) -0.5765(2) 0.0369(6) Uani 1 d . . Cl6 Cl -0.77166(13) -0.12262(12) -0.5782(2) 0.0384(6) Uani 1 d . . C11 C -0.6723(5) -0.1729(5) -0.8484(10) 0.046(3) Uani 1 d . . C12 C -0.6564(5) -0.1376(5) -0.7603(9) 0.041(3) Uani 1 d . . C13 C -0.6764(5) -0.0743(5) -0.7802(8) 0.035(2) Uani 1 d . . C14 C -0.7060(5) -0.0726(5) -0.8842(8) 0.032(2) Uani 1 d . . C15 C -0.7035(5) -0.1325(5) -0.9267(9) 0.043(3) Uani 1 d . . C16 C -0.6536(7) -0.2392(5) -0.8672(14) 0.091(6) Uani 1 d . . H16A H -0.6056(20) -0.2418(7) -0.8901(93) 0.136 Uiso 1 calc R . H16B H -0.6837(42) -0.2563(16) -0.9213(67) 0.136 Uiso 1 calc R . H16C H -0.6594(59) -0.2624(12) -0.8023(26) 0.136 Uiso 1 calc R . C17 C -0.6174(6) -0.1594(7) -0.6648(11) 0.080(5) Uani 1 d . . H17A H -0.6256(43) -0.1311(26) -0.6067(26) 0.120 Uiso 1 calc R . H17B H -0.5680(8) -0.1608(46) -0.6805(28) 0.120 Uiso 1 calc R . H17C H -0.6334(38) -0.2005(20) -0.6454(49) 0.120 Uiso 1 calc R . C18 C -0.6616(6) -0.0197(5) -0.7130(9) 0.053(3) Uani 1 d . . H18A H -0.6186(23) -0.0004(22) -0.7359(41) 0.080 Uiso 1 calc R . H18B H -0.6570(41) -0.0328(7) -0.6401(13) 0.080 Uiso 1 calc R . H18C H -0.6995(21) 0.0098(17) -0.7190(49) 0.080 Uiso 1 calc R . C19 C -0.7249(7) -0.0153(6) -0.9422(9) 0.062(4) Uani 1 d . . H19A H -0.6829(7) 0.0058(22) -0.9648(60) 0.092 Uiso 1 calc R . H19B H -0.7514(39) 0.0118(18) -0.8962(23) 0.092 Uiso 1 calc R . H19C H -0.7527(38) -0.0259(7) -1.0035(39) 0.092 Uiso 1 calc R . C20 C -0.7240(7) -0.1503(8) -1.0374(10) 0.077(5) Uani 1 d . . H20A H -0.7634(7) -0.1248(8) -1.0602(10) 0.092 Uiso 1 calc R . H20B H -0.7387(7) -0.1937(8) -1.0386(10) 0.092 Uiso 1 calc R . C2A C -0.6633(8) -0.1411(10) -1.1131(10) 0.105(7) Uani 1 d . . H2AA H -0.6750(28) -0.1585(55) -1.1814(32) 0.157 Uiso 1 calc R . H2AB H -0.6224(20) -0.1618(51) -1.0853(52) 0.157 Uiso 1 calc R . H2AC H -0.6538(43) -0.0973(10) -1.1207(79) 0.157 Uiso 1 calc R . C21 C -1.0632(5) -0.1194(6) -0.8281(10) 0.057(4) Uani 1 d . . C22 C -1.0568(6) -0.0694(7) -0.7526(10) 0.057(3) Uani 1 d . . C23 C -1.0130(7) -0.0251(7) -0.7927(10) 0.059(4) Uani 1 d . . C24 C -0.9925(6) -0.0449(6) -0.8946(9) 0.047(3) Uani 1 d . . C25 C -1.0200(5) -0.1031(5) -0.9163(9) 0.041(3) Uani 1 d . . C26 C -1.1080(7) -0.1758(9) -0.8240(15) 0.116(7) Uani 1 d . . H26A H -1.1540(24) -0.1660(19) -0.8508(111) 0.174 Uiso 1 calc R . H26B H -1.1118(62) -0.1900(40) -0.7516(20) 0.174 Uiso 1 calc R . H26C H -1.0875(40) -0.2082(24) -0.8669(92) 0.174 Uiso 1 calc R . C27 C -1.0981(8) -0.0668(10) -0.6511(11) 0.105(7) Uani 1 d . . H27A H -1.1057(59) -0.1086(10) -0.6252(56) 0.158 Uiso 1 calc R . H27B H -1.1426(30) -0.0471(57) -0.6641(26) 0.158 Uiso 1 calc R . H27C H -1.0725(33) -0.0433(53) -0.5988(35) 0.158 Uiso 1 calc R . C28 C -1.0016(8) 0.0386(7) -0.7431(14) 0.096(6) Uani 1 d . . H28A H -1.0364(41) 0.0672(16) -0.7692(77) 0.145 Uiso 1 calc R . H28B H -0.9556(27) 0.0536(26) -0.7616(80) 0.145 Uiso 1 calc R . H28C H -1.0054(63) 0.0353(13) -0.6670(16) 0.145 Uiso 1 calc R . C29 C -0.9503(7) -0.0062(6) -0.9726(11) 0.072(4) Uani 1 d . . H29A H -0.9814(9) 0.0124(37) -1.0239(47) 0.108 Uiso 1 calc R . H29B H -0.9171(36) -0.0325(11) -1.0087(57) 0.108 Uiso 1 calc R . H29C H -0.9257(41) 0.0261(29) -0.9348(15) 0.108 Uiso 1 calc R . C30 C -1.0151(6) -0.1356(6) -1.0196(10) 0.061(4) Uani 1 d . . H30A H -1.0198(6) -0.1803(6) -1.0082(10) 0.073 Uiso 1 calc R . H30B H -0.9692(6) -0.1280(6) -1.0507(10) 0.073 Uiso 1 calc R . C3A C -1.0712(7) -0.1139(7) -1.0958(11) 0.077(4) Uani 1 d . . H3AA H -1.1166(8) -0.1244(41) -1.0677(39) 0.115 Uiso 1 calc R . H3AB H -1.0648(32) -0.1342(36) -1.1635(26) 0.115 Uiso 1 calc R . H3AC H -1.0678(34) -0.0694(10) -1.1049(62) 0.115 Uiso 1 calc R . C31 C -0.9416(3) -0.2271(4) -0.4468(6) 0.037(3) Uiso 0.50 d PGD 1 C32 C -0.9220(5) -0.2817(4) -0.5020(6) 0.050(3) Uiso 0.50 d PGD 1 C33 C -0.8485(5) -0.2871(4) -0.4968(7) 0.047(3) Uiso 0.50 d PGD 1 C34 C -0.8226(3) -0.2359(5) -0.4384(8) 0.050(4) Uiso 0.50 d PGD 1 C35 C -0.8801(5) -0.1989(3) -0.4075(6) 0.034(2) Uiso 0.50 d PGD 1 C36 C -1.0150(4) -0.2058(7) -0.4297(11) 0.050(4) Uiso 0.50 d PGD 1 H36A H -1.0164(14) -0.1609(7) -0.4299(125) 0.074 Uiso 0.50 calc PR 1 H36B H -1.0316(29) -0.2211(62) -0.3623(57) 0.074 Uiso 0.50 calc PR 1 H36C H -1.0443(15) -0.2216(61) -0.4858(69) 0.074 Uiso 0.50 calc PR 1 C37 C -0.9698(12) -0.3303(9) -0.5458(16) 0.066(6) Uiso 0.50 d PD 1 H37A H -0.9449(30) -0.3553(55) -0.5969(109) 0.099 Uiso 0.50 calc PR 1 H37B H -1.0092(51) -0.3105(9) -0.5799(129) 0.099 Uiso 0.50 calc PR 1 H37C H -0.9863(77) -0.3565(54) -0.4889(26) 0.099 Uiso 0.50 calc PR 1 C38 C -0.8058(12) -0.3422(7) -0.5309(17) 0.057(5) Uiso 0.50 d PD 1 H38A H -0.8215(62) -0.3562(51) -0.5996(65) 0.086 Uiso 0.50 calc PR 1 H38B H -0.8113(73) -0.3754(29) -0.4799(76) 0.086 Uiso 0.50 calc PR 1 H38C H -0.7572(16) -0.3305(22) -0.5350(134) 0.086 Uiso 0.50 calc PR 1 C39 C -0.7497(8) -0.2233(13) -0.4003(19) 0.078(7) Uiso 0.50 d PD 1 H39A H -0.7437(35) -0.1791(17) -0.3896(164) 0.117 Uiso 0.50 calc PR 1 H39B H -0.7166(8) -0.2377(91) -0.4526(80) 0.117 Uiso 0.50 calc PR 1 H39C H -0.7419(39) -0.2448(84) -0.3342(90) 0.117 Uiso 0.50 calc PR 1 C40 C -0.8766(14) -0.1405(8) -0.3410(10) 0.052(4) Uiso 0.50 d PD 1 H40A H -0.9066(14) -0.1089(8) -0.3727(10) 0.063 Uiso 0.50 calc PR 1 H40B H -0.8288(14) -0.1248(8) -0.3416(10) 0.063 Uiso 0.50 calc PR 1 C4A C -0.8993(22) -0.1510(23) -0.2264(16) 0.119(10) Uiso 0.50 d PD 1 H4A1 H -0.8917(150) -0.1135(48) -0.1860(59) 0.178 Uiso 0.50 calc PR 1 H4A2 H -0.8723(117) -0.1845(96) -0.1961(79) 0.178 Uiso 0.50 calc PR 1 H4A3 H -0.9483(47) -0.1618(146) -0.2246(26) 0.178 Uiso 0.50 calc PR 1 C31' C -0.9340(4) -0.2183(4) -0.4373(6) 0.037(3) Uiso 0.50 d PGD 2 C32' C -0.9331(5) -0.2739(4) -0.4971(7) 0.050(3) Uiso 0.50 d PGD 2 C33' C -0.8628(6) -0.2935(3) -0.5065(7) 0.047(3) Uiso 0.50 d PGD 2 C34' C -0.8204(3) -0.2500(5) -0.4525(7) 0.050(4) Uiso 0.50 d PGD 2 C35' C -0.8643(5) -0.2035(4) -0.4097(6) 0.034(2) Uiso 0.50 d PGD 2 C36' C -1.0017(5) -0.1911(7) -0.3979(10) 0.050(4) Uiso 0.50 d PGD 2 H36D H -1.0219(41) -0.2184(36) -0.3455(89) 0.074 Uiso 0.50 calc PR 2 H36E H -1.0337(29) -0.1865(67) -0.4566(24) 0.074 Uiso 0.50 calc PR 2 H36F H -0.9929(14) -0.1509(32) -0.3665(110) 0.074 Uiso 0.50 calc PR 2 C37' C -0.9962(10) -0.3101(11) -0.5332(17) 0.066(6) Uiso 0.50 d PD 2 H37D H -1.0087(63) -0.3402(63) -0.4797(70) 0.099 Uiso 0.50 calc PR 2 H37E H -0.9855(34) -0.3313(74) -0.5987(83) 0.099 Uiso 0.50 calc PR 2 H37F H -1.0348(31) -0.2819(15) -0.5444(150) 0.099 Uiso 0.50 calc PR 2 C38' C -0.8443(13) -0.3543(5) -0.5578(15) 0.057(5) Uiso 0.50 d PD 2 H38D H -0.8701(69) -0.3587(37) -0.6232(71) 0.086 Uiso 0.50 calc PR 2 H38E H -0.8561(84) -0.3880(6) -0.5106(59) 0.086 Uiso 0.50 calc PR 2 H38F H -0.7948(20) -0.3552(32) -0.5726(123) 0.086 Uiso 0.50 calc PR 2 C39' C -0.7436(6) -0.2557(14) -0.4352(20) 0.078(7) Uiso 0.50 d PD 2 H39D H -0.7350(6) -0.2749(94) -0.3673(79) 0.117 Uiso 0.50 calc PR 2 H39E H -0.7226(17) -0.2149(15) -0.4365(172) 0.117 Uiso 0.50 calc PR 2 H39F H -0.7234(18) -0.2810(84) -0.4906(100) 0.117 Uiso 0.50 calc PR 2 C40' C -0.8480(14) -0.1495(8) -0.3384(10) 0.052(4) Uiso 0.50 d PD 2 H40C H -0.8723(14) -0.1131(8) -0.3664(10) 0.063 Uiso 0.50 calc PR 2 H40D H -0.7981(14) -0.1411(8) -0.3436(10) 0.063 Uiso 0.50 calc PR 2 C4A' C -0.8663(23) -0.1550(23) -0.2215(16) 0.119(10) Uiso 0.50 d PD 2 H4A4 H -0.8629(149) -0.1146(33) -0.1884(51) 0.178 Uiso 0.50 calc PR 2 H4A5 H -0.8341(104) -0.1834(108) -0.1876(54) 0.178 Uiso 0.50 calc PR 2 H4A6 H -0.9134(64) -0.1706(135) -0.2143(16) 0.178 Uiso 0.50 calc PR 2 C100 . -0.68292 -0.11798 -0.83997 0.01 Uiso 0.0 calc . . C200 . -1.02910 -0.07238 -0.83997 0.01 Uiso 0.0 calc . . C300 . -0.88295 -0.24618 -0.45947 0.01 Uiso 0.0 calc . . Ta4 Ta -0.37446(2) -0.11913(2) -0.82589(3) 0.03548(11) Uani 1 d . . Cl7 Cl -0.4452(2) -0.0760(2) -0.6853(3) 0.0723(10) Uani 1 d . . Cl8 Cl -0.2815(2) -0.0804(2) -0.7170(3) 0.0772(10) Uani 1 d . . Cl9 Cl -0.4599(2) -0.20128(15) -0.8172(3) 0.0636(9) Uani 1 d . . Cl10 Cl -0.2957(2) -0.20530(15) -0.8519(3) 0.0616(9) Uani 1 d . . C41 C -0.4089(5) -0.1131(5) -1.0043(7) 0.035(2) Uani 1 d . . C42 C -0.4449(5) -0.0668(5) -0.9459(7) 0.035(2) Uani 1 d . . C43 C -0.3937(6) -0.0241(5) -0.9096(8) 0.043(3) Uani 1 d . . C44 C -0.3272(6) -0.0436(5) -0.9485(9) 0.044(3) Uani 1 d . . C45 C -0.3380(5) -0.0969(5) -1.0069(8) 0.033(2) Uani 1 d . . C46 C -0.4403(6) -0.1652(5) -1.0674(10) 0.052(3) Uani 1 d . . H46A H -0.4878(15) -0.1722(24) -1.0444(43) 0.078 Uiso 1 calc R . H46B H -0.4133(25) -0.2026(10) -1.0567(49) 0.078 Uiso 1 calc R . H46C H -0.4401(37) -0.1545(16) -1.1417(11) 0.078 Uiso 1 calc R . C47 C -0.5218(6) -0.0612(6) -0.9291(10) 0.059(3) Uani 1 d . . H47A H -0.5413(9) -0.0337(32) -0.9819(44) 0.089 Uiso 1 calc R . H47B H -0.5307(6) -0.0446(38) -0.8593(28) 0.089 Uiso 1 calc R . H47C H -0.5432(8) -0.1017(9) -0.9354(68) 0.089 Uiso 1 calc R . C48 C -0.4062(7) 0.0363(5) -0.8519(9) 0.057(3) Uani 1 d . . H48A H -0.4044(43) 0.0704(6) -0.9017(14) 0.086 Uiso 1 calc R . H48B H -0.3707(25) 0.0420(19) -0.7984(45) 0.086 Uiso 1 calc R . H48C H -0.4517(19) 0.0353(16) -0.8186(54) 0.086 Uiso 1 calc R . C49 C -0.2605(7) -0.0075(7) -0.9372(10) 0.064(4) Uani 1 d . . H49A H -0.2623(21) 0.0170(33) -0.8731(39) 0.096 Uiso 1 calc R . H49B H -0.2549(25) 0.0196(31) -0.9976(37) 0.096 Uiso 1 calc R . H49C H -0.2216(8) -0.0360(7) -0.9336(72) 0.096 Uiso 1 calc R . C50 C -0.2822(6) -0.1290(5) -1.0677(8) 0.049(3) Uani 1 d . . H50A H -0.2953(6) -0.1725(5) -1.0773(8) 0.058 Uiso 1 calc R . H50B H -0.2390(6) -0.1279(5) -1.0268(8) 0.058 Uiso 1 calc R . C5A C -0.2693(8) -0.1003(7) -1.1745(11) 0.079(4) Uani 1 d . . H5AA H -0.2378(43) -0.1263(25) -1.2145(32) 0.118 Uiso 1 calc R . H5AB H -0.2488(50) -0.0596(21) -1.1654(11) 0.118 Uiso 1 calc R . H5AC H -0.3130(11) -0.0965(44) -1.2121(34) 0.118 Uiso 1 calc R . C400 . -0.38254 -0.06890 -0.96303 0.01 Uiso 0.0 calc . . 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 Ta1 0.0258(2) 0.0240(2) 0.0273(2) 0.0003(2) -0.0004(2) 0.0004(2) Ta2 0.0260(2) 0.0363(2) 0.0254(2) 0.0012(2) -0.0002(2) 0.0017(2) Ta3 0.0386(2) 0.0265(2) 0.0249(2) 0.0007(2) 0.0012(2) 0.0039(2) Cl1 0.0319(13) 0.0515(15) 0.0276(11) -0.0040(11) -0.0007(11) -0.0018(12) Cl2 0.049(2) 0.0421(14) 0.0410(15) 0.0031(12) 0.0006(13) -0.0115(12) Cl3 0.0418(14) 0.0262(11) 0.0378(13) 0.0009(11) 0.0078(12) 0.0051(10) Cl4 0.0396(14) 0.0272(12) 0.0485(15) 0.0046(12) 0.0025(12) 0.0037(10) Cl5 0.0408(14) 0.0420(14) 0.0281(13) -0.0025(11) 0.0020(11) 0.0095(12) Cl6 0.0383(13) 0.0442(14) 0.0328(13) -0.0077(11) -0.0056(11) 0.0022(12) C11 0.037(6) 0.029(5) 0.072(8) -0.001(6) 0.033(6) -0.001(5) C12 0.035(5) 0.039(6) 0.050(7) 0.006(5) 0.009(5) 0.007(5) C13 0.038(6) 0.037(6) 0.031(5) -0.001(5) 0.006(5) -0.001(4) C14 0.020(5) 0.037(5) 0.039(6) 0.008(4) 0.004(4) -0.006(4) C15 0.030(6) 0.056(7) 0.043(6) -0.012(6) 0.006(5) -0.018(5) C16 0.073(10) 0.033(7) 0.167(17) -0.020(8) 0.069(11) 0.008(6) C17 0.038(8) 0.128(13) 0.074(9) 0.044(9) -0.003(7) 0.030(8) C18 0.045(7) 0.064(8) 0.051(7) -0.012(6) 0.007(6) -0.022(6) C19 0.060(8) 0.075(9) 0.050(7) 0.035(7) 0.003(7) 0.006(7) C20 0.059(8) 0.121(13) 0.051(8) -0.040(8) 0.015(7) -0.032(9) C2A 0.082(11) 0.191(20) 0.041(8) -0.030(10) 0.020(7) -0.040(12) C21 0.017(5) 0.080(9) 0.074(8) 0.035(8) -0.019(6) -0.006(6) C22 0.028(6) 0.093(10) 0.049(8) -0.009(7) -0.009(6) 0.015(7) C23 0.047(7) 0.078(9) 0.052(8) -0.007(7) -0.012(6) 0.026(7) C24 0.045(7) 0.055(7) 0.041(6) 0.011(6) -0.017(6) 0.009(6) C25 0.030(6) 0.055(7) 0.038(6) 0.000(5) -0.015(5) -0.001(5) C26 0.052(9) 0.163(17) 0.133(15) 0.050(14) -0.045(10) -0.071(11) C27 0.052(9) 0.207(21) 0.056(9) -0.024(12) 0.010(7) 0.024(11) C28 0.100(12) 0.075(10) 0.114(14) -0.024(10) -0.040(11) 0.051(9) C29 0.078(10) 0.070(9) 0.068(10) 0.026(8) -0.012(8) -0.002(8) C30 0.054(8) 0.075(9) 0.055(8) -0.020(7) -0.020(6) 0.023(7) C3A 0.083(10) 0.075(9) 0.072(9) -0.005(8) -0.032(8) 0.004(8) Ta4 0.0345(2) 0.0421(2) 0.0298(2) 0.0048(2) 0.0038(2) 0.0060(2) Cl7 0.093(3) 0.080(2) 0.044(2) 0.004(2) 0.029(2) 0.026(2) Cl8 0.079(2) 0.092(3) 0.060(2) 0.007(2) -0.033(2) -0.014(2) Cl9 0.051(2) 0.057(2) 0.083(2) 0.030(2) 0.014(2) -0.0042(15) Cl10 0.052(2) 0.060(2) 0.073(2) 0.018(2) 0.013(2) 0.025(2) C41 0.042(6) 0.032(5) 0.031(5) 0.009(5) 0.000(4) -0.006(5) C42 0.032(6) 0.049(6) 0.024(5) 0.000(5) 0.002(4) -0.001(5) C43 0.065(8) 0.041(6) 0.022(5) 0.004(5) -0.004(5) 0.000(5) C44 0.041(7) 0.053(7) 0.036(6) -0.001(5) 0.007(5) -0.005(5) C45 0.034(6) 0.037(6) 0.027(5) -0.002(4) 0.008(4) -0.001(4) C46 0.061(8) 0.037(6) 0.059(8) -0.009(6) -0.011(6) -0.004(6) C47 0.039(7) 0.076(9) 0.064(9) 0.005(7) 0.014(6) 0.005(6) C48 0.095(10) 0.035(6) 0.041(7) 0.001(5) 0.009(7) 0.016(6) C49 0.065(9) 0.075(9) 0.052(8) -0.003(7) -0.007(7) -0.020(7) C50 0.046(6) 0.054(7) 0.047(7) 0.009(6) 0.010(5) 0.006(6) C5A 0.093(11) 0.078(10) 0.066(9) 0.005(8) 0.023(8) 0.002(9) _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 Ta1 C11 2.419(10) . yes Ta1 C13 2.337(10) . yes Ta1 C12 2.359(10) . yes Ta1 C14 2.373(9) . yes Ta1 C15 2.429(10) . yes Ta1 Cl1 2.462(2) . yes Ta1 Cl3 2.475(2) . yes Ta1 Cl4 2.470(2) . yes Ta1 Cl6 2.477(2) . yes Ta1 C100 2.053 . yes Ta1 Ta2 3.1668(8) . yes Ta1 Ta3 3.1797(7) . yes Ta2 C21 2.453(9) . yes Ta2 C22 2.404(11) . yes Ta2 C23 2.334(12) . yes Ta2 C24 2.343(10) . yes Ta2 C25 2.389(10) . yes Ta2 Cl1 2.471(2) . yes Ta2 Cl2 2.453(3) . yes Ta2 Cl4 2.477(2) . yes Ta2 Cl5 2.476(2) . yes Ta2 Ta3 3.1684(7) . yes Ta3 C31 2.399(6) . yes Ta3 C32 2.429(8) . yes Ta3 C33 2.401(8) . yes Ta3 C34 2.353(8) . yes Ta3 C35 2.352(7) . yes Ta3 C31' 2.366(6) . yes Ta3 C32' 2.427(8) . yes Ta3 C33' 2.428(8) . yes Ta3 C34' 2.368(8) . yes Ta3 C35' 2.329(7) . yes Ta3 Cl2 2.456(3) . yes Ta3 Cl3 2.470(2) . yes Ta3 Cl5 2.473(2) . yes Ta3 Cl6 2.458(3) . yes C11 C12 1.39(2) . ? C11 C15 1.45(2) . ? C11 C16 1.495(15) . ? C12 C13 1.442(14) . ? C12 C17 1.50(2) . ? C13 C14 1.436(14) . ? C13 C18 1.482(14) . ? C14 C15 1.401(15) . ? C14 C19 1.486(14) . ? C15 C20 1.51(2) . ? C16 H16A 0.97 . ? C16 H16B 0.97 . ? C16 H16C 0.97 . ? C17 H17A 0.97 . ? C17 H17B 0.97 . ? C17 H17C 0.97 . ? C18 H18A 0.97 . ? C18 H18B 0.97 . ? C18 H18C 0.97 . ? C19 H19A 0.97 . ? C19 H19B 0.97 . ? C19 H19C 0.97 . ? C20 C2A 1.52(2) . ? C20 H20A 0.98 . ? C20 H20B 0.98 . ? C2A H2AA 0.97 . ? C2A H2AB 0.97 . ? C2A H2AC 0.97 . ? C21 C25 1.44(2) . ? C21 C22 1.45(2) . ? C21 C26 1.49(2) . ? C22 C23 1.37(2) . ? C22 C27 1.51(2) . ? C23 C24 1.42(2) . ? C23 C28 1.53(2) . ? C24 C25 1.39(2) . ? C24 C29 1.53(2) . ? C25 C30 1.49(2) . ? C26 H26A 0.97 . ? C26 H26B 0.97 . ? C26 H26C 0.97 . ? C27 H27A 0.97 . ? C27 H27B 0.97 . ? C27 H27C 0.97 . ? C28 H28A 0.97 . ? C28 H28B 0.97 . ? C28 H28C 0.97 . ? C29 H29A 0.97 . ? C29 H29B 0.97 . ? C29 H29C 0.97 . ? C30 C3A 1.52(2) . ? C30 H30A 0.98 . ? C30 H30B 0.98 . ? C3A H3AA 0.97 . ? C3A H3AB 0.97 . ? C3A H3AC 0.97 . ? C31 C35 1.42 . ? C31 C32 1.42 . ? C31 C36 1.50 . ? C32 C33 1.42 . ? C32 C37 1.502(8) . ? C33 C34 1.42 . ? C33 C38 1.509(8) . ? C34 C35 1.42 . ? C34 C39 1.508(8) . ? C35 C40 1.517(14) . ? C36 H36A 0.97 . ? C36 H36B 0.97 . ? C36 H36C 0.97 . ? C37 H37A 0.97 . ? C37 H37B 0.97 . ? C37 H37C 0.97 . ? C38 H38A 0.97 . ? C38 H38B 0.97 . ? C38 H38C 0.97 . ? C39 H39A 0.97 . ? C39 H39B 0.97 . ? C39 H39C 0.97 . ? C40 C4A 1.533(10) . ? C40 H40A 0.98 . ? C40 H40B 0.98 . ? C4A H4A1 0.97 . ? C4A H4A2 0.97 . ? C4A H4A3 0.9700(11) . ? C31' C35' 1.42 . ? C31' C32' 1.42 . ? C31' C36' 1.51 . ? C32' C33' 1.42 . ? C32' C37' 1.514(8) . ? C33' C34' 1.42 . ? C33' C38' 1.508(8) . ? C34' C35' 1.42 . ? C34' C39' 1.498(8) . ? C35' C40' 1.510(14) . ? C36' H36D 0.97 . ? C36' H36E 0.97 . ? C36' H36F 0.97 . ? C37' H37D 0.97 . ? C37' H37E 0.97 . ? C37' H37F 0.97 . ? C38' H38D 0.97 . ? C38' H38E 0.97 . ? C38' H38F 0.97 . ? C39' H39D 0.97 . ? C39' H39E 0.97 . ? C39' H39F 0.97 . ? C40' C4A' 1.527(10) . ? C40' H40C 0.98 . ? C40' H40D 0.98 . ? C4A' H4A4 0.97 . ? C4A' H4A5 0.97 . ? C4A' H4A6 0.97 . ? Ta4 C41 2.359(9) . yes Ta4 C42 2.329(10) . yes Ta4 C43 2.340(10) . yes Ta4 C44 2.429(11) . yes Ta4 C45 2.445(9) . yes Ta4 Cl7 2.427(3) . yes Ta4 Cl8 2.407(3) . yes Ta4 Cl9 2.421(3) . yes Ta4 Cl10 2.421(3) . yes Ta4 C400 2.054 . yes C41 C45 1.407(13) . ? C41 C42 1.423(14) . ? C41 C46 1.507(14) . ? C42 C43 1.427(15) . ? C42 C47 1.499(15) . ? C43 C44 1.43(2) . ? C43 C48 1.514(14) . ? C44 C45 1.384(15) . ? C44 C49 1.51(2) . ? C45 C50 1.492(14) . ? C46 H46A 0.97 . ? C46 H46B 0.97 . ? C46 H46C 0.97 . ? C47 H47A 0.97 . ? C47 H47B 0.97 . ? C47 H47C 0.97 . ? C48 H48A 0.97 . ? C48 H48B 0.97 . ? C48 H48C 0.97 . ? C49 H49A 0.97 . ? C49 H49B 0.97 . ? C49 H49C 0.97 . ? C50 C5A 1.51(2) . ? C50 H50A 0.98 . ? C50 H50B 0.98 . ? C5A H5AA 0.97 . ? C5A H5AB 0.97 . ? C5A H5AC 0.97 . ? 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 C13 Ta1 C12 35.8(3) . . ? C13 Ta1 C14 35.5(3) . . ? C12 Ta1 C14 58.5(3) . . ? C13 Ta1 C11 57.8(3) . . ? C12 Ta1 C11 33.7(4) . . ? C14 Ta1 C11 57.5(3) . . ? C13 Ta1 C15 57.7(3) . . ? C12 Ta1 C15 57.3(4) . . ? C14 Ta1 C15 33.9(4) . . ? C11 Ta1 C15 34.8(4) . . ? C13 Ta1 Cl1 130.7(3) . . ? C12 Ta1 Cl1 135.8(3) . . ? C14 Ta1 Cl1 95.3(2) . . ? C11 Ta1 Cl1 103.0(3) . . ? C15 Ta1 Cl1 80.8(2) . . ? C13 Ta1 Cl4 88.9(2) . . ? C12 Ta1 Cl4 123.7(3) . . ? C14 Ta1 Cl4 82.3(2) . . ? C11 Ta1 Cl4 139.7(2) . . ? C15 Ta1 Cl4 110.0(3) . . ? Cl1 Ta1 Cl4 81.04(9) . . yes C13 Ta1 Cl3 127.7(3) . . ? C12 Ta1 Cl3 92.2(3) . . ? C14 Ta1 Cl3 138.0(2) . . ? C11 Ta1 Cl3 81.2(2) . . ? C15 Ta1 Cl3 106.1(3) . . ? Cl1 Ta1 Cl3 85.99(9) . . yes Cl4 Ta1 Cl3 138.89(8) . . yes C13 Ta1 Cl6 87.0(3) . . ? C12 Ta1 Cl6 83.3(3) . . ? C14 Ta1 Cl6 120.8(2) . . ? C11 Ta1 Cl6 112.4(3) . . ? C15 Ta1 Cl6 140.1(2) . . ? Cl1 Ta1 Cl6 138.97(8) . . yes Cl4 Ta1 Cl6 84.97(9) . . yes Cl3 Ta1 Cl6 79.71(8) . . yes C13 Ta1 Ta2 139.0(2) . . ? C12 Ta1 Ta2 172.9(3) . . ? C14 Ta1 Ta2 120.6(2) . . ? C11 Ta1 Ta2 153.0(3) . . ? C15 Ta1 Ta2 126.5(3) . . ? Cl1 Ta1 Ta2 50.18(6) . . ? Cl4 Ta1 Ta2 50.29(6) . . ? Cl3 Ta1 Ta2 92.13(6) . . ? Cl6 Ta1 Ta2 91.90(6) . . ? C13 Ta1 Ta3 136.3(3) . . ? C12 Ta1 Ta3 119.6(3) . . ? C14 Ta1 Ta3 169.4(2) . . ? C11 Ta1 Ta3 127.7(3) . . ? C15 Ta1 Ta3 155.7(3) . . ? Cl1 Ta1 Ta3 92.31(6) . . ? Cl4 Ta1 Ta3 91.66(6) . . ? Cl3 Ta1 Ta3 49.92(6) . . ? Cl6 Ta1 Ta3 49.63(6) . . ? Ta2 Ta1 Ta3 59.898(15) . . yes Ta2 Ta1 C100 150.2 . . yes Ta3 Ta1 C100 149.9 . . yes Cl1 Ta1 C100 110.5 . . yes Cl3 Ta1 C100 110.5 . . yes Cl4 Ta1 C100 110.6 . . yes Cl6 Ta1 C100 110.5 . . yes C23 Ta2 C24 35.3(4) . . ? C23 Ta2 C25 58.4(4) . . ? C24 Ta2 C25 34.1(4) . . ? C23 Ta2 C22 33.6(4) . . ? C24 Ta2 C22 56.5(4) . . ? C25 Ta2 C22 57.6(4) . . ? C23 Ta2 C21 57.3(5) . . ? C24 Ta2 C21 56.4(4) . . ? C25 Ta2 C21 34.5(4) . . ? C22 Ta2 C21 34.7(4) . . ? C23 Ta2 Cl2 133.2(4) . . ? C24 Ta2 Cl2 133.5(3) . . ? C25 Ta2 Cl2 99.8(3) . . ? C22 Ta2 Cl2 99.7(4) . . ? C21 Ta2 Cl2 81.1(3) . . ? C23 Ta2 Cl1 124.6(3) . . ? C24 Ta2 Cl1 90.2(3) . . ? C25 Ta2 Cl1 81.4(3) . . ? C22 Ta2 Cl1 139.0(3) . . ? C21 Ta2 Cl1 108.9(3) . . ? Cl2 Ta2 Cl1 86.32(9) . . yes C23 Ta2 Cl5 91.3(3) . . ? C24 Ta2 Cl5 126.3(3) . . ? C25 Ta2 Cl5 139.1(3) . . ? C22 Ta2 Cl5 81.8(3) . . ? C21 Ta2 Cl5 107.3(3) . . ? Cl2 Ta2 Cl5 80.72(9) . . yes Cl1 Ta2 Cl5 138.94(8) . . yes C23 Ta2 Cl4 84.8(4) . . ? C24 Ta2 Cl4 85.6(3) . . ? C25 Ta2 Cl4 116.3(3) . . ? C22 Ta2 Cl4 115.5(4) . . ? C21 Ta2 Cl4 140.0(3) . . ? Cl2 Ta2 Cl4 138.95(9) . . yes Cl1 Ta2 Cl4 80.72(8) . . yes Cl5 Ta2 Cl4 83.99(9) . . yes C23 Ta2 Ta1 134.1(4) . . ? C24 Ta2 Ta1 119.7(3) . . ? C25 Ta2 Ta1 128.9(3) . . ? C22 Ta2 Ta1 165.1(3) . . ? C21 Ta2 Ta1 158.4(3) . . ? Cl2 Ta2 Ta1 92.45(7) . . ? Cl1 Ta2 Ta1 49.93(6) . . ? Cl5 Ta2 Ta1 91.70(6) . . ? Cl4 Ta2 Ta1 50.09(5) . . ? C23 Ta2 Ta3 141.4(3) . . ? C24 Ta2 Ta3 175.9(3) . . ? C25 Ta2 Ta3 149.5(3) . . ? C22 Ta2 Ta3 122.4(3) . . ? C21 Ta2 Ta3 125.3(3) . . ? Cl2 Ta2 Ta3 49.84(7) . . ? Cl1 Ta2 Ta3 92.41(6) . . ? Cl5 Ta2 Ta3 50.15(6) . . ? Cl4 Ta2 Ta3 91.79(6) . . ? Ta1 Ta2 Ta3 60.253(14) . . yes Ta1 Ta2 C200 148.9 . . yes Ta3 Ta2 C200 150.9 . . yes Cl1 Ta2 C200 109.4 . . yes Cl2 Ta2 C200 110.8 . . yes Cl4 Ta2 C200 110.2 . . yes Cl5 Ta2 C200 111.6 . . yes C35 Ta3 C34 35.13(11) . . ? C35' Ta3 C31' 35.19(8) . . ? C35' Ta3 C34' 35.18(11) . . ? C31' Ta3 C34' 58.06(12) . . ? C35 Ta3 C31 34.77(8) . . ? C34 Ta3 C31 57.82(12) . . ? C35 Ta3 C33 57.81(13) . . ? C34 Ta3 C33 34.74(10) . . ? C31 Ta3 C33 57.20(12) . . ? C35' Ta3 C32' 57.73(11) . . ? C31' Ta3 C32' 34.44(9) . . ? C34' Ta3 C32' 57.25(13) . . ? C35 Ta3 C32 57.43(11) . . ? C34 Ta3 C32 57.41(13) . . ? C31 Ta3 C32 34.21(8) . . ? C33 Ta3 C32 34.19(10) . . ? C35' Ta3 C33' 57.72(13) . . ? C31' Ta3 C33' 57.26(12) . . ? C34' Ta3 C33' 34.42(10) . . ? C32' Ta3 C33' 34.02(10) . . ? C35' Ta3 Cl2 131.7(2) . . ? C35 Ta3 Cl2 125.6(2) . . ? C34 Ta3 Cl2 137.7(2) . . ? C31' Ta3 Cl2 96.7(2) . . ? C34' Ta3 Cl2 132.1(3) . . ? C31 Ta3 Cl2 91.1(2) . . ? C33 Ta3 Cl2 105.7(3) . . ? C32' Ta3 Cl2 78.8(2) . . ? C32 Ta3 Cl2 80.6(2) . . ? C33' Ta3 Cl2 98.0(3) . . ? C35' Ta3 Cl6 86.6(2) . . ? C35 Ta3 Cl6 90.8(2) . . ? C34 Ta3 Cl6 82.6(2) . . ? C31' Ta3 Cl6 118.5(2) . . ? C34' Ta3 Cl6 86.7(2) . . ? C31 Ta3 Cl6 124.8(2) . . ? C33 Ta3 Cl6 110.1(3) . . ? C32' Ta3 Cl6 142.1(2) . . ? C32 Ta3 Cl6 140.0(2) . . ? C33' Ta3 Cl6 117.9(3) . . ? Cl2 Ta3 Cl6 139.08(9) . . yes C35' Ta3 Cl3 125.0(2) . . ? C35 Ta3 Cl3 132.4(2) . . ? C34 Ta3 Cl3 97.3(3) . . ? C31' Ta3 Cl3 139.6(2) . . ? C34' Ta3 Cl3 90.5(2) . . ? C31 Ta3 Cl3 136.2(2) . . ? C33 Ta3 Cl3 81.6(2) . . ? C32' Ta3 Cl3 108.7(3) . . ? C32 Ta3 Cl3 102.7(2) . . ? C33' Ta3 Cl3 82.4(2) . . ? Cl2 Ta3 Cl3 86.13(9) . . yes Cl6 Ta3 Cl3 80.17(8) . . yes C35' Ta3 Cl5 91.7(2) . . ? C35 Ta3 Cl5 85.5(2) . . ? C34 Ta3 Cl5 118.5(3) . . ? C31' Ta3 Cl5 80.9(2) . . ? C34' Ta3 Cl5 126.7(2) . . ? C31 Ta3 Cl5 83.2(2) . . ? C33 Ta3 Cl5 139.5(2) . . ? C32' Ta3 Cl5 106.6(3) . . ? C32 Ta3 Cl5 113.2(2) . . ? C33' Ta3 Cl5 137.8(2) . . ? Cl2 Ta3 Cl5 80.73(9) . . yes Cl6 Ta3 Cl5 84.73(9) . . yes Cl3 Ta3 Cl5 138.85(8) . . yes C35' Ta3 Ta2 141.8(2) . . ? C35 Ta3 Ta2 135.1(2) . . ? C34 Ta3 Ta2 168.2(3) . . ? C31' Ta3 Ta2 120.2(2) . . ? C34' Ta3 Ta2 176.8(3) . . ? C31 Ta3 Ta2 118.6(2) . . ? C33 Ta3 Ta2 155.3(3) . . ? C32' Ta3 Ta2 123.1(2) . . ? C32 Ta3 Ta2 127.1(2) . . ? C33' Ta3 Ta2 147.7(3) . . ? Cl2 Ta3 Ta2 49.77(6) . . ? Cl6 Ta3 Ta2 92.22(6) . . ? Cl3 Ta3 Ta2 92.19(6) . . ? Cl5 Ta3 Ta2 50.24(6) . . ? C35' Ta3 Ta1 136.0(2) . . ? C35 Ta3 Ta1 140.9(2) . . ? C34 Ta3 Ta1 122.2(2) . . ? C31' Ta3 Ta1 167.3(2) . . ? C34' Ta3 Ta1 121.2(2) . . ? C31 Ta3 Ta1 173.2(2) . . ? C33 Ta3 Ta1 127.3(2) . . ? C32' Ta3 Ta1 157.9(2) . . ? C32 Ta3 Ta1 152.5(2) . . ? C33' Ta3 Ta1 130.6(2) . . ? Cl2 Ta3 Ta1 92.09(7) . . ? Cl6 Ta3 Ta1 50.15(6) . . ? Cl3 Ta3 Ta1 50.06(5) . . ? Cl5 Ta3 Ta1 91.46(6) . . ? Ta2 Ta3 Ta1 59.85(2) . . yes Ta1 Ta3 C300 151.8 . . yes Ta2 Ta3 C300 148.4 . . yes Cl2 Ta3 C300 109.2 . . yes Cl3 Ta3 C300 111.5 . . yes Cl5 Ta3 C300 109.7 . . yes Cl6 Ta3 C300 111.7 . . yes Ta1 Cl1 Ta2 79.89(7) . . yes Ta2 Cl2 Ta3 80.39(8) . . yes Ta3 Cl3 Ta1 80.02(7) . . yes Ta1 Cl4 Ta2 79.61(7) . . yes Ta3 Cl5 Ta2 79.61(7) . . yes Ta3 Cl6 Ta1 80.22(7) . . yes C12 C11 C15 108.2(8) . . ? C12 C11 C16 126.9(13) . . ? C15 C11 C16 124.5(13) . . ? C12 C11 Ta1 70.8(6) . . ? C15 C11 Ta1 73.0(6) . . ? C16 C11 Ta1 127.6(7) . . ? C11 C12 C13 108.7(10) . . ? C11 C12 C17 126.0(11) . . ? C13 C12 C17 124.9(11) . . ? C11 C12 Ta1 75.5(6) . . ? C13 C12 Ta1 71.3(6) . . ? C17 C12 Ta1 124.4(8) . . ? C14 C13 C12 106.8(9) . . ? C14 C13 C18 125.7(10) . . ? C12 C13 C18 127.0(10) . . ? C14 C13 Ta1 73.6(5) . . ? C12 C13 Ta1 72.9(6) . . ? C18 C13 Ta1 124.6(7) . . ? C15 C14 C13 108.4(9) . . ? C15 C14 C19 126.0(10) . . ? C13 C14 C19 124.9(10) . . ? C15 C14 Ta1 75.2(6) . . ? C13 C14 Ta1 70.9(5) . . ? C19 C14 Ta1 127.4(7) . . ? C14 C15 C11 107.8(9) . . ? C14 C15 C20 125.7(12) . . ? C11 C15 C20 126.3(11) . . ? C14 C15 Ta1 70.8(6) . . ? C11 C15 Ta1 72.2(6) . . ? C20 C15 Ta1 126.3(7) . . ? C11 C16 H16A 109.5(6) . . ? C11 C16 H16B 109.5(9) . . ? H16A C16 H16B 109.5 . . ? C11 C16 H16C 109.5(8) . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.47(8) . . ? C12 C17 H17A 109.5(7) . . ? C12 C17 H17B 109.5(6) . . ? H17A C17 H17B 109.5 . . ? C12 C17 H17C 109.5(7) . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C13 C18 H18A 109.5(6) . . ? C13 C18 H18B 109.5(6) . . ? H18A C18 H18B 109.5 . . ? C13 C18 H18C 109.5(6) . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C14 C19 H19A 109.5(6) . . ? C14 C19 H19B 109.5(6) . . ? H19A C19 H19B 109.5 . . ? C14 C19 H19C 109.5(7) . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C15 C20 C2A 110.6(10) . . ? C15 C20 H20A 109.5(8) . . ? C2A C20 H20A 109.5(10) . . ? C15 C20 H20B 109.5(8) . . ? C2A C20 H20B 109.5(10) . . ? H20A C20 H20B 108.1 . . ? C20 C2A H2AA 109.5(7) . . ? C20 C2A H2AB 109.5(10) . . ? H2AA C2A H2AB 109.5 . . ? C20 C2A H2AC 109.5(10) . . ? H2AA C2A H2AC 109.5 . . ? H2AB C2A H2AC 109.5 . . ? C25 C21 C22 106.3(10) . . ? C25 C21 C26 124.2(14) . . ? C22 C21 C26 129.5(14) . . ? C25 C21 Ta2 70.3(5) . . ? C22 C21 Ta2 70.8(6) . . ? C26 C21 Ta2 126.6(9) . . ? C23 C22 C21 109.2(11) . . ? C23 C22 C27 127.7(14) . . ? C21 C22 C27 122.9(13) . . ? C23 C22 Ta2 70.4(7) . . ? C21 C22 Ta2 74.5(6) . . ? C27 C22 Ta2 125.3(9) . . ? C22 C23 C24 107.3(12) . . ? C22 C23 C28 124.4(13) . . ? C24 C23 C28 127.4(14) . . ? C22 C23 Ta2 76.0(8) . . ? C24 C23 Ta2 72.7(7) . . ? C28 C23 Ta2 125.9(9) . . ? C25 C24 C23 110.3(12) . . ? C25 C24 C29 124.6(11) . . ? C23 C24 C29 124.9(12) . . ? C25 C24 Ta2 74.7(6) . . ? C23 C24 Ta2 72.0(7) . . ? C29 C24 Ta2 123.3(8) . . ? C24 C25 C21 106.8(10) . . ? C24 C25 C30 125.2(11) . . ? C21 C25 C30 127.1(11) . . ? C24 C25 Ta2 71.1(6) . . ? C21 C25 Ta2 75.2(6) . . ? C30 C25 Ta2 127.1(7) . . ? C21 C26 H26A 109.5(7) . . ? C21 C26 H26B 109.5(9) . . ? H26A C26 H26B 109.5 . . ? C21 C26 H26C 109.5(10) . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C22 C27 H27A 109.5(10) . . ? C22 C27 H27B 109.5(7) . . ? H27A C27 H27B 109.5 . . ? C22 C27 H27C 109.5(8) . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C23 C28 H28A 109.5(7) . . ? C23 C28 H28B 109.5(9) . . ? H28A C28 H28B 109.5 . . ? C23 C28 H28C 109.5(9) . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C24 C29 H29A 109.5(7) . . ? C24 C29 H29B 109.5(7) . . ? H29A C29 H29B 109.5 . . ? C24 C29 H29C 109.5(7) . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C25 C30 C3A 111.6(10) . . ? C25 C30 H30A 109.3(7) . . ? C3A C30 H30A 109.3(8) . . ? C25 C30 H30B 109.3(7) . . ? C3A C30 H30B 109.3(8) . . ? H30A C30 H30B 108.0 . . ? C30 C3A H3AA 109.5(8) . . ? C30 C3A H3AB 109.5(7) . . ? H3AA C3A H3AB 109.5 . . ? C30 C3A H3AC 109.5(8) . . ? H3AA C3A H3AC 109.5 . . ? H3AB C3A H3AC 109.5 . . ? C35 C31 C32 108.0 . . ? C35 C31 C36 126.8 . . ? C32 C31 C36 125.1 . . ? C35 C31 Ta3 70.8(3) . . ? C32 C31 Ta3 74.0(3) . . ? C36 C31 Ta3 123.1(2) . . ? C31 C32 C33 108.0 . . ? C31 C32 C37 126.8(13) . . ? C33 C32 C37 124.7(13) . . ? C31 C32 Ta3 71.8(3) . . ? C33 C32 Ta3 71.8(2) . . ? C37 C32 Ta3 128.3(9) . . ? C34 C33 C32 108.0 . . ? C34 C33 C38 124.9(13) . . ? C32 C33 C38 126.4(13) . . ? C34 C33 Ta3 70.8(3) . . ? C32 C33 Ta3 74.0(3) . . ? C38 C33 Ta3 128.4(8) . . ? C33 C34 C35 108.0 . . ? C33 C34 C39 129.3(15) . . ? C35 C34 C39 122.3(15) . . ? C33 C34 Ta3 74.5(3) . . ? C35 C34 Ta3 72.4(2) . . ? C39 C34 Ta3 124.5(9) . . ? C31 C35 C34 108.0 . . ? C31 C35 C40 126.1(13) . . ? C34 C35 C40 125.9(13) . . ? C31 C35 Ta3 74.4(3) . . ? C34 C35 Ta3 72.5(2) . . ? C40 C35 Ta3 120.5(7) . . ? C31 C36 H36A 109.5 . . ? C31 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C31 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C32 C37 H37A 109.5(12) . . ? C32 C37 H37B 109.5(11) . . ? H37A C37 H37B 109.5 . . ? C32 C37 H37C 109.5(8) . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C33 C38 H38A 109.5(11) . . ? C33 C38 H38B 109.5(8) . . ? H38A C38 H38B 109.47(8) . . ? C33 C38 H38C 109.5(11) . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C34 C39 H39A 109.5(12) . . ? C34 C39 H39B 109.5(12) . . ? H39A C39 H39B 109.5 . . ? C34 C39 H39C 109.5(8) . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C35 C40 C4A 113.0(21) . . ? C35 C40 H40A 109.0(9) . . ? C4A C40 H40A 109.0(20) . . ? C35 C40 H40B 109.0(10) . . ? C4A C40 H40B 109.0(19) . . ? H40A C40 H40B 107.8 . . ? C40 C4A H4A1 109.5(20) . . ? C40 C4A H4A2 109.5(21) . . ? H4A1 C4A H4A2 109.5 . . ? C40 C4A H4A3 109.4(19) . . ? H4A1 C4A H4A3 109.47(6) . . ? H4A2 C4A H4A3 109.47(5) . . ? C35' C31' C32' 108.0 . . ? C35' C31' C36' 130.0 . . ? C32' C31' C36' 121.0 . . ? C35' C31' Ta3 71.0(3) . . ? C32' C31' Ta3 75.1(3) . . ? C36' C31' Ta3 128.5(2) . . ? C33' C32' C31' 108.0 . . ? C33' C32' C37' 125.6(13) . . ? C31' C32' C37' 126.0(13) . . ? C33' C32' Ta3 73.0(3) . . ? C31' C32' Ta3 70.5(3) . . ? C37' C32' Ta3 127.6(9) . . ? C32' C33' C34' 108.0 . . ? C32' C33' C38' 121.4(13) . . ? C34' C33' C38' 130.4(13) . . ? C32' C33' Ta3 73.0(2) . . ? C34' C33' Ta3 70.5(3) . . ? C38' C33' Ta3 126.8(8) . . ? C35' C34' C33' 108.0 . . ? C35' C34' C39' 126.1(15) . . ? C33' C34' C39' 125.7(15) . . ? C35' C34' Ta3 70.9(2) . . ? C33' C34' Ta3 75.1(3) . . ? C39' C34' Ta3 124.1(9) . . ? C34' C35' C31' 108.0 . . ? C34' C35' C40' 130.7(12) . . ? C31' C35' C40' 121.1(12) . . ? C34' C35' Ta3 73.9(3) . . ? C31' C35' Ta3 73.8(3) . . ? C40' C35' Ta3 122.3(7) . . ? C31' C36' H36D 109.5 . . ? C31' C36' H36E 109.5 . . ? H36D C36' H36E 109.5 . . ? C31' C36' H36F 109.5 . . ? H36D C36' H36F 109.5 . . ? H36E C36' H36F 109.5 . . ? C32' C37' H37D 109.5(8) . . ? C32' C37' H37E 109.5(11) . . ? H37D C37' H37E 109.5 . . ? C32' C37' H37F 109.5(11) . . ? H37D C37' H37F 109.5 . . ? H37E C37' H37F 109.5 . . ? C33' C38' H38D 109.5(10) . . ? C33' C38' H38E 109.5(8) . . ? H38D C38' H38E 109.47(8) . . ? C33' C38' H38F 109.5(11) . . ? H38D C38' H38F 109.5 . . ? H38E C38' H38F 109.5 . . ? C34' C39' H39D 109.5(9) . . ? C34' C39' H39E 109.5(12) . . ? H39D C39' H39E 109.5 . . ? C34' C39' H39F 109.5(13) . . ? H39D C39' H39F 109.5 . . ? H39E C39' H39F 109.5 . . ? C35' C40' C4A' 118.2(23) . . ? C35' C40' H40C 107.8(9) . . ? C4A' C40' H40C 107.8(22) . . ? C35' C40' H40D 107.8(10) . . ? C4A' C40' H40D 107.8(21) . . ? H40C C40' H40D 107.1 . . ? C40' C4A' H4A4 109.4(20) . . ? C40' C4A' H4A5 109.5(22) . . ? H4A4 C4A' H4A5 109.5 . . ? C40' C4A' H4A6 109.5(21) . . ? H4A4 C4A' H4A6 109.47(8) . . ? H4A5 C4A' H4A6 109.47(7) . . ? C42 Ta4 C43 35.6(4) . . ? C42 Ta4 C41 35.3(3) . . ? C43 Ta4 C41 58.2(3) . . ? C42 Ta4 Cl8 129.6(3) . . ? C43 Ta4 Cl8 94.1(3) . . ? C41 Ta4 Cl8 137.6(3) . . ? C42 Ta4 Cl9 89.5(3) . . ? C43 Ta4 Cl9 123.8(3) . . ? C41 Ta4 Cl9 83.9(2) . . ? Cl8 Ta4 Cl9 137.07(12) . . yes C42 Ta4 Cl10 130.3(3) . . ? C43 Ta4 Cl10 135.3(3) . . ? C41 Ta4 Cl10 95.0(3) . . ? Cl8 Ta4 Cl10 83.15(13) . . yes Cl9 Ta4 Cl10 82.36(11) . . yes C42 Ta4 Cl7 88.1(3) . . ? C43 Ta4 Cl7 84.7(3) . . ? C41 Ta4 Cl7 121.6(3) . . ? Cl8 Ta4 Cl7 82.09(14) . . yes Cl9 Ta4 Cl7 82.40(13) . . yes Cl10 Ta4 Cl7 138.20(11) . . yes C42 Ta4 C44 58.3(4) . . ? C43 Ta4 C44 34.9(4) . . ? C41 Ta4 C44 57.0(3) . . ? Cl8 Ta4 C44 81.7(3) . . ? Cl9 Ta4 C44 140.8(3) . . ? Cl10 Ta4 C44 101.2(3) . . ? Cl7 Ta4 C44 114.9(3) . . ? Cl7 Ta4 C400 112.1 . . yes Cl8 Ta4 C400 110.9 . . yes Cl9 Ta4 C400 112.0 . . yes Cl10 Ta4 C400 109.8 . . yes C42 Ta4 C45 57.2(3) . . ? C43 Ta4 C45 56.5(3) . . ? C41 Ta4 C45 34.0(3) . . ? Cl8 Ta4 C45 104.9(3) . . ? Cl9 Ta4 C45 112.4(2) . . ? Cl10 Ta4 C45 81.0(2) . . ? Cl7 Ta4 C45 140.6(2) . . ? C44 Ta4 C45 33.0(3) . . ? C45 C41 C42 107.9(9) . . ? C45 C41 C46 124.2(10) . . ? C42 C41 C46 127.3(10) . . ? C45 C41 Ta4 76.4(6) . . ? C42 C41 Ta4 71.2(5) . . ? C46 C41 Ta4 125.4(7) . . ? C41 C42 C43 106.7(9) . . ? C41 C42 C47 127.6(10) . . ? C43 C42 C47 125.7(10) . . ? C41 C42 Ta4 73.5(6) . . ? C43 C42 Ta4 72.7(6) . . ? C47 C42 Ta4 121.4(7) . . ? C42 C43 C44 108.3(9) . . ? C42 C43 C48 127.1(11) . . ? C44 C43 C48 124.2(10) . . ? C42 C43 Ta4 71.8(6) . . ? C44 C43 Ta4 75.9(7) . . ? C48 C43 Ta4 124.2(7) . . ? C45 C44 C43 107.1(9) . . ? C45 C44 C49 127.6(10) . . ? C43 C44 C49 124.9(10) . . ? C45 C44 Ta4 74.2(6) . . ? C43 C44 Ta4 69.1(6) . . ? C49 C44 Ta4 127.2(8) . . ? C44 C45 C41 109.9(9) . . ? C44 C45 C50 123.6(10) . . ? C41 C45 C50 126.3(10) . . ? C44 C45 Ta4 72.9(6) . . ? C41 C45 Ta4 69.6(6) . . ? C50 C45 Ta4 126.8(7) . . ? C41 C46 H46A 109.5(6) . . ? C41 C46 H46B 109.5(6) . . ? H46A C46 H46B 109.5 . . ? C41 C46 H46C 109.5(6) . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? C42 C47 H47A 109.5(6) . . ? C42 C47 H47B 109.5(6) . . ? H47A C47 H47B 109.5 . . ? C42 C47 H47C 109.5(7) . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C43 C48 H48A 109.5(6) . . ? C43 C48 H48B 109.5(7) . . ? H48A C48 H48B 109.5 . . ? C43 C48 H48C 109.5(7) . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C44 C49 H49A 109.5(6) . . ? C44 C49 H49B 109.5(7) . . ? H49A C49 H49B 109.5 . . ? C44 C49 H49C 109.5(7) . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C45 C50 C5A 113.0(10) . . ? C45 C50 H50A 109.0(6) . . ? C5A C50 H50A 109.0(7) . . ? C45 C50 H50B 109.0(6) . . ? C5A C50 H50B 109.0(8) . . ? H50A C50 H50B 107.8 . . ? C50 C5A H5AA 109.5(7) . . ? C50 C5A H5AB 109.5(7) . . ? H5AA C5A H5AB 109.5 . . ? C50 C5A H5AC 109.5(8) . . ? H5AA C5A H5AC 109.5 . . ? H5AB C5A H5AC 109.5 . . ? 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 C13 Ta1 Ta2 C23 7.0(6) . . . . ? C12 Ta1 Ta2 C23 46.8(21) . . . . ? C14 Ta1 Ta2 C23 -33.4(5) . . . . ? C11 Ta1 Ta2 C23 -110.8(7) . . . . ? C15 Ta1 Ta2 C23 -73.7(5) . . . . ? Cl1 Ta1 Ta2 C23 -102.6(4) . . . . ? Cl4 Ta1 Ta2 C23 12.8(4) . . . . ? Cl3 Ta1 Ta2 C23 174.4(4) . . . . ? Cl6 Ta1 Ta2 C23 94.6(4) . . . . ? Ta3 Ta1 Ta2 C23 134.4(4) . . . . ? C13 Ta1 Ta2 C24 47.9(5) . . . . ? C12 Ta1 Ta2 C24 87.7(21) . . . . ? C14 Ta1 Ta2 C24 7.5(5) . . . . ? C11 Ta1 Ta2 C24 -69.9(6) . . . . ? C15 Ta1 Ta2 C24 -32.8(5) . . . . ? Cl1 Ta1 Ta2 C24 -61.7(4) . . . . ? Cl4 Ta1 Ta2 C24 53.6(4) . . . . ? Cl3 Ta1 Ta2 C24 -144.7(4) . . . . ? Cl6 Ta1 Ta2 C24 135.5(4) . . . . ? Ta3 Ta1 Ta2 C24 175.3(3) . . . . ? C13 Ta1 Ta2 C25 88.0(5) . . . . ? C12 Ta1 Ta2 C25 127.8(21) . . . . ? C14 Ta1 Ta2 C25 47.7(4) . . . . ? C11 Ta1 Ta2 C25 -29.8(7) . . . . ? C15 Ta1 Ta2 C25 7.3(5) . . . . ? Cl1 Ta1 Ta2 C25 -21.6(4) . . . . ? Cl4 Ta1 Ta2 C25 93.8(4) . . . . ? Cl3 Ta1 Ta2 C25 -104.6(4) . . . . ? Cl6 Ta1 Ta2 C25 175.7(4) . . . . ? Ta3 Ta1 Ta2 C25 -144.5(3) . . . . ? C13 Ta1 Ta2 C22 -22.8(13) . . . . ? C12 Ta1 Ta2 C22 17.0(24) . . . . ? C14 Ta1 Ta2 C22 -63.2(12) . . . . ? C11 Ta1 Ta2 C22 -140.6(13) . . . . ? C15 Ta1 Ta2 C22 -103.5(12) . . . . ? Cl1 Ta1 Ta2 C22 -132.4(12) . . . . ? Cl4 Ta1 Ta2 C22 -17.1(12) . . . . ? Cl3 Ta1 Ta2 C22 144.6(12) . . . . ? Cl6 Ta1 Ta2 C22 64.8(12) . . . . ? Ta3 Ta1 Ta2 C22 104.6(12) . . . . ? C13 Ta1 Ta2 C21 121.1(8) . . . . ? C12 Ta1 Ta2 C21 160.9(23) . . . . ? C14 Ta1 Ta2 C21 80.7(8) . . . . ? C11 Ta1 Ta2 C21 3.2(9) . . . . ? C15 Ta1 Ta2 C21 40.4(8) . . . . ? Cl1 Ta1 Ta2 C21 11.4(7) . . . . ? Cl4 Ta1 Ta2 C21 126.8(7) . . . . ? Cl3 Ta1 Ta2 C21 -71.5(7) . . . . ? Cl6 Ta1 Ta2 C21 -151.3(7) . . . . ? Ta3 Ta1 Ta2 C21 -111.5(7) . . . . ? C13 Ta1 Ta2 Cl2 -167.2(4) . . . . ? C12 Ta1 Ta2 Cl2 -127.4(21) . . . . ? C14 Ta1 Ta2 Cl2 152.4(3) . . . . ? C11 Ta1 Ta2 Cl2 74.9(6) . . . . ? C15 Ta1 Ta2 Cl2 112.0(3) . . . . ? Cl1 Ta1 Ta2 Cl2 83.12(10) . . . . ? Cl4 Ta1 Ta2 Cl2 -161.49(11) . . . . ? Cl3 Ta1 Ta2 Cl2 0.14(9) . . . . ? Cl6 Ta1 Ta2 Cl2 -79.63(9) . . . . ? Ta3 Ta1 Ta2 Cl2 -39.83(7) . . . . ? C13 Ta1 Ta2 Cl1 109.6(4) . . . . ? C12 Ta1 Ta2 Cl1 149.4(21) . . . . ? C14 Ta1 Ta2 Cl1 69.3(3) . . . . ? C11 Ta1 Ta2 Cl1 -8.2(6) . . . . ? C15 Ta1 Ta2 Cl1 28.9(3) . . . . ? Cl1 Ta1 Ta2 Cl1 0.0 . . . . ? Cl4 Ta1 Ta2 Cl1 115.39(11) . . . . ? Cl3 Ta1 Ta2 Cl1 -82.98(10) . . . . ? Cl6 Ta1 Ta2 Cl1 -162.75(10) . . . . ? Ta3 Ta1 Ta2 Cl1 -122.95(8) . . . . ? C13 Ta1 Ta2 Cl5 -86.5(4) . . . . ? C12 Ta1 Ta2 Cl5 -46.7(21) . . . . ? C14 Ta1 Ta2 Cl5 -126.8(3) . . . . ? C11 Ta1 Ta2 Cl5 155.7(6) . . . . ? C15 Ta1 Ta2 Cl5 -167.2(3) . . . . ? Cl1 Ta1 Ta2 Cl5 163.90(10) . . . . ? Cl4 Ta1 Ta2 Cl5 -80.71(10) . . . . ? Cl3 Ta1 Ta2 Cl5 80.92(8) . . . . ? Cl6 Ta1 Ta2 Cl5 1.15(9) . . . . ? Ta3 Ta1 Ta2 Cl5 40.95(6) . . . . ? C13 Ta1 Ta2 Cl4 -5.8(4) . . . . ? C12 Ta1 Ta2 Cl4 34.1(21) . . . . ? C14 Ta1 Ta2 Cl4 -46.1(3) . . . . ? C11 Ta1 Ta2 Cl4 -123.6(6) . . . . ? C15 Ta1 Ta2 Cl4 -86.5(3) . . . . ? Cl1 Ta1 Ta2 Cl4 -115.39(11) . . . . ? Cl4 Ta1 Ta2 Cl4 0.0 . . . . ? Cl3 Ta1 Ta2 Cl4 161.63(10) . . . . ? Cl6 Ta1 Ta2 Cl4 81.86(10) . . . . ? Ta3 Ta1 Ta2 Cl4 121.66(9) . . . . ? C13 Ta1 Ta2 Ta3 -127.4(4) . . . . ? C12 Ta1 Ta2 Ta3 -87.6(21) . . . . ? C14 Ta1 Ta2 Ta3 -167.8(3) . . . . ? C11 Ta1 Ta2 Ta3 114.7(6) . . . . ? C15 Ta1 Ta2 Ta3 151.9(3) . . . . ? Cl1 Ta1 Ta2 Ta3 122.95(8) . . . . ? Cl4 Ta1 Ta2 Ta3 -121.66(9) . . . . ? Cl3 Ta1 Ta2 Ta3 39.97(6) . . . . ? Cl6 Ta1 Ta2 Ta3 -39.80(6) . . . . ? Ta3 Ta1 Ta2 Ta3 0.0 . . . . ? C23 Ta2 Ta3 C35' 2.7(6) . . . . ? C24 Ta2 Ta3 C35' 37.0(42) . . . . ? C25 Ta2 Ta3 C35' -115.5(6) . . . . ? C22 Ta2 Ta3 C35' -35.4(5) . . . . ? C21 Ta2 Ta3 C35' -77.3(5) . . . . ? Cl2 Ta2 Ta3 C35' -109.4(3) . . . . ? Cl1 Ta2 Ta3 C35' 167.4(3) . . . . ? Cl5 Ta2 Ta3 C35' 6.0(3) . . . . ? Cl4 Ta2 Ta3 C35' 86.6(3) . . . . ? Ta1 Ta2 Ta3 C35' 127.4(3) . . . . ? C23 Ta2 Ta3 C35 8.8(7) . . . . ? C24 Ta2 Ta3 C35 43.1(42) . . . . ? C25 Ta2 Ta3 C35 -109.4(6) . . . . ? C22 Ta2 Ta3 C35 -29.3(5) . . . . ? C21 Ta2 Ta3 C35 -71.2(5) . . . . ? Cl2 Ta2 Ta3 C35 -103.3(3) . . . . ? Cl1 Ta2 Ta3 C35 173.5(3) . . . . ? Cl5 Ta2 Ta3 C35 12.1(3) . . . . ? Cl4 Ta2 Ta3 C35 92.7(3) . . . . ? Ta1 Ta2 Ta3 C35 133.5(3) . . . . ? C23 Ta2 Ta3 C34 -21.3(10) . . . . ? C24 Ta2 Ta3 C34 13.0(43) . . . . ? C25 Ta2 Ta3 C34 -139.5(10) . . . . ? C22 Ta2 Ta3 C34 -59.4(10) . . . . ? C21 Ta2 Ta3 C34 -101.4(10) . . . . ? Cl2 Ta2 Ta3 C34 -133.5(9) . . . . ? Cl1 Ta2 Ta3 C34 143.4(9) . . . . ? Cl5 Ta2 Ta3 C34 -18.0(9) . . . . ? Cl4 Ta2 Ta3 C34 62.6(9) . . . . ? Ta1 Ta2 Ta3 C34 103.4(9) . . . . ? C23 Ta2 Ta3 C31' 40.6(6) . . . . ? C24 Ta2 Ta3 C31' 74.8(42) . . . . ? C25 Ta2 Ta3 C31' -77.7(6) . . . . ? C22 Ta2 Ta3 C31' 2.4(5) . . . . ? C21 Ta2 Ta3 C31' -39.5(5) . . . . ? Cl2 Ta2 Ta3 C31' -71.6(3) . . . . ? Cl1 Ta2 Ta3 C31' -154.8(3) . . . . ? Cl5 Ta2 Ta3 C31' 43.8(3) . . . . ? Cl4 Ta2 Ta3 C31' 124.5(3) . . . . ? Ta1 Ta2 Ta3 C31' 165.2(3) . . . . ? C23 Ta2 Ta3 C34' -14.6(35) . . . . ? C24 Ta2 Ta3 C34' 19.7(54) . . . . ? C25 Ta2 Ta3 C34' -132.8(35) . . . . ? C22 Ta2 Ta3 C34' -52.7(35) . . . . ? C21 Ta2 Ta3 C34' -94.7(35) . . . . ? Cl2 Ta2 Ta3 C34' -126.8(35) . . . . ? Cl1 Ta2 Ta3 C34' 150.1(35) . . . . ? Cl5 Ta2 Ta3 C34' -11.3(35) . . . . ? Cl4 Ta2 Ta3 C34' 69.3(35) . . . . ? Ta1 Ta2 Ta3 C34' 110.1(35) . . . . ? C23 Ta2 Ta3 C31 47.7(6) . . . . ? C24 Ta2 Ta3 C31 82.0(42) . . . . ? C25 Ta2 Ta3 C31 -70.5(6) . . . . ? C22 Ta2 Ta3 C31 9.6(5) . . . . ? C21 Ta2 Ta3 C31 -32.4(5) . . . . ? Cl2 Ta2 Ta3 C31 -64.5(3) . . . . ? Cl1 Ta2 Ta3 C31 -147.6(3) . . . . ? Cl5 Ta2 Ta3 C31 51.0(3) . . . . ? Cl4 Ta2 Ta3 C31 131.6(3) . . . . ? Ta1 Ta2 Ta3 C31 172.4(3) . . . . ? C23 Ta2 Ta3 C33 120.8(7) . . . . ? C24 Ta2 Ta3 C33 155.0(42) . . . . ? C25 Ta2 Ta3 C33 2.6(7) . . . . ? C22 Ta2 Ta3 C33 82.6(6) . . . . ? C21 Ta2 Ta3 C33 40.7(6) . . . . ? Cl2 Ta2 Ta3 C33 8.6(4) . . . . ? Cl1 Ta2 Ta3 C33 -74.6(4) . . . . ? Cl5 Ta2 Ta3 C33 124.0(4) . . . . ? Cl4 Ta2 Ta3 C33 -155.3(4) . . . . ? Ta1 Ta2 Ta3 C33 -114.5(4) . . . . ? C23 Ta2 Ta3 C32' 81.1(6) . . . . ? C24 Ta2 Ta3 C32' 115.3(42) . . . . ? C25 Ta2 Ta3 C32' -37.1(6) . . . . ? C22 Ta2 Ta3 C32' 43.0(5) . . . . ? C21 Ta2 Ta3 C32' 1.0(5) . . . . ? Cl2 Ta2 Ta3 C32' -31.1(3) . . . . ? Cl1 Ta2 Ta3 C32' -114.2(3) . . . . ? Cl5 Ta2 Ta3 C32' 84.4(3) . . . . ? Cl4 Ta2 Ta3 C32' 165.0(3) . . . . ? Ta1 Ta2 Ta3 C32' -154.2(3) . . . . ? C23 Ta2 Ta3 C32 87.5(6) . . . . ? C24 Ta2 Ta3 C32 121.7(42) . . . . ? C25 Ta2 Ta3 C32 -30.7(6) . . . . ? C22 Ta2 Ta3 C32 49.3(5) . . . . ? C21 Ta2 Ta3 C32 7.4(5) . . . . ? Cl2 Ta2 Ta3 C32 -24.7(3) . . . . ? Cl1 Ta2 Ta3 C32 -107.8(3) . . . . ? Cl5 Ta2 Ta3 C32 90.7(3) . . . . ? Cl4 Ta2 Ta3 C32 171.4(3) . . . . ? Ta1 Ta2 Ta3 C32 -147.8(3) . . . . ? C23 Ta2 Ta3 C33' 116.0(7) . . . . ? C24 Ta2 Ta3 C33' 150.2(42) . . . . ? C25 Ta2 Ta3 C33' -2.2(6) . . . . ? C22 Ta2 Ta3 C33' 77.9(5) . . . . ? C21 Ta2 Ta3 C33' 35.9(6) . . . . ? Cl2 Ta2 Ta3 C33' 3.8(4) . . . . ? Cl1 Ta2 Ta3 C33' -79.3(4) . . . . ? Cl5 Ta2 Ta3 C33' 119.3(4) . . . . ? Cl4 Ta2 Ta3 C33' -160.1(4) . . . . ? Ta1 Ta2 Ta3 C33' -119.3(4) . . . . ? C23 Ta2 Ta3 Cl2 112.2(6) . . . . ? C24 Ta2 Ta3 Cl2 146.4(42) . . . . ? C25 Ta2 Ta3 Cl2 -6.0(5) . . . . ? C22 Ta2 Ta3 Cl2 74.0(4) . . . . ? C21 Ta2 Ta3 Cl2 32.1(4) . . . . ? Cl2 Ta2 Ta3 Cl2 0.0 . . . . ? Cl1 Ta2 Ta3 Cl2 -83.14(11) . . . . ? Cl5 Ta2 Ta3 Cl2 115.43(12) . . . . ? Cl4 Ta2 Ta3 Cl2 -163.92(11) . . . . ? Ta1 Ta2 Ta3 Cl2 -123.13(9) . . . . ? C23 Ta2 Ta3 Cl6 -84.5(6) . . . . ? C24 Ta2 Ta3 Cl6 -50.3(42) . . . . ? C25 Ta2 Ta3 Cl6 157.3(5) . . . . ? C22 Ta2 Ta3 Cl6 -122.7(4) . . . . ? C21 Ta2 Ta3 Cl6 -164.6(4) . . . . ? Cl2 Ta2 Ta3 Cl6 163.30(11) . . . . ? Cl1 Ta2 Ta3 Cl6 80.16(8) . . . . ? Cl5 Ta2 Ta3 Cl6 -81.27(10) . . . . ? Cl4 Ta2 Ta3 Cl6 -0.62(8) . . . . ? Ta1 Ta2 Ta3 Cl6 40.17(6) . . . . ? C23 Ta2 Ta3 Cl3 -164.8(6) . . . . ? C24 Ta2 Ta3 Cl3 -130.5(42) . . . . ? C25 Ta2 Ta3 Cl3 77.0(5) . . . . ? C22 Ta2 Ta3 Cl3 157.1(4) . . . . ? C21 Ta2 Ta3 Cl3 115.2(4) . . . . ? Cl2 Ta2 Ta3 Cl3 83.06(10) . . . . ? Cl1 Ta2 Ta3 Cl3 -0.08(8) . . . . ? Cl5 Ta2 Ta3 Cl3 -161.51(10) . . . . ? Cl4 Ta2 Ta3 Cl3 -80.86(8) . . . . ? Ta1 Ta2 Ta3 Cl3 -40.07(6) . . . . ? C23 Ta2 Ta3 Cl5 -3.3(6) . . . . ? C24 Ta2 Ta3 Cl5 31.0(42) . . . . ? C25 Ta2 Ta3 Cl5 -121.5(5) . . . . ? C22 Ta2 Ta3 Cl5 -41.4(4) . . . . ? C21 Ta2 Ta3 Cl5 -83.3(4) . . . . ? Cl2 Ta2 Ta3 Cl5 -115.43(12) . . . . ? Cl1 Ta2 Ta3 Cl5 161.43(10) . . . . ? Cl5 Ta2 Ta3 Cl5 0.0 . . . . ? Cl4 Ta2 Ta3 Cl5 80.65(10) . . . . ? Ta1 Ta2 Ta3 Cl5 121.43(8) . . . . ? C23 Ta2 Ta3 Ta1 -124.7(6) . . . . ? C24 Ta2 Ta3 Ta1 -90.5(42) . . . . ? C25 Ta2 Ta3 Ta1 117.1(5) . . . . ? C22 Ta2 Ta3 Ta1 -162.8(4) . . . . ? C21 Ta2 Ta3 Ta1 155.2(4) . . . . ? Cl2 Ta2 Ta3 Ta1 123.13(9) . . . . ? Cl1 Ta2 Ta3 Ta1 39.99(6) . . . . ? Cl5 Ta2 Ta3 Ta1 -121.43(8) . . . . ? Cl4 Ta2 Ta3 Ta1 -40.79(6) . . . . ? Ta1 Ta2 Ta3 Ta1 0.0 . . . . ? C13 Ta1 Ta3 C35' -4.0(5) . . . . ? C12 Ta1 Ta3 C35' 36.8(5) . . . . ? C14 Ta1 Ta3 C35' -39.4(13) . . . . ? C11 Ta1 Ta3 C35' 76.4(5) . . . . ? C15 Ta1 Ta3 C35' 112.2(7) . . . . ? Cl1 Ta1 Ta3 C35' -175.2(3) . . . . ? Cl4 Ta1 Ta3 C35' -94.1(3) . . . . ? Cl3 Ta1 Ta3 C35' 102.0(3) . . . . ? Cl6 Ta1 Ta3 C35' -12.1(3) . . . . ? Ta2 Ta1 Ta3 C35' -135.0(3) . . . . ? C13 Ta1 Ta3 C35 5.3(5) . . . . ? C12 Ta1 Ta3 C35 46.1(5) . . . . ? C14 Ta1 Ta3 C35 -30.1(13) . . . . ? C11 Ta1 Ta3 C35 85.7(5) . . . . ? C15 Ta1 Ta3 C35 121.5(7) . . . . ? Cl1 Ta1 Ta3 C35 -165.9(3) . . . . ? Cl4 Ta1 Ta3 C35 -84.8(3) . . . . ? Cl3 Ta1 Ta3 C35 111.3(3) . . . . ? Cl6 Ta1 Ta3 C35 -2.8(3) . . . . ? Ta2 Ta1 Ta3 C35 -125.7(3) . . . . ? C13 Ta1 Ta3 C34 -35.4(5) . . . . ? C12 Ta1 Ta3 C34 5.4(5) . . . . ? C14 Ta1 Ta3 C34 -70.8(13) . . . . ? C11 Ta1 Ta3 C34 45.0(5) . . . . ? C15 Ta1 Ta3 C34 80.8(7) . . . . ? Cl1 Ta1 Ta3 C34 153.4(3) . . . . ? Cl4 Ta1 Ta3 C34 -125.5(3) . . . . ? Cl3 Ta1 Ta3 C34 70.6(3) . . . . ? Cl6 Ta1 Ta3 C34 -43.5(3) . . . . ? Ta2 Ta1 Ta3 C34 -166.4(3) . . . . ? C13 Ta1 Ta3 C31' 37.2(8) . . . . ? C12 Ta1 Ta3 C31' 78.0(8) . . . . ? C14 Ta1 Ta3 C31' 1.8(15) . . . . ? C11 Ta1 Ta3 C31' 117.6(8) . . . . ? C15 Ta1 Ta3 C31' 153.4(10) . . . . ? Cl1 Ta1 Ta3 C31' -134.0(7) . . . . ? Cl4 Ta1 Ta3 C31' -52.9(7) . . . . ? Cl3 Ta1 Ta3 C31' 143.3(7) . . . . ? Cl6 Ta1 Ta3 C31' 29.1(7) . . . . ? Ta2 Ta1 Ta3 C31' -93.8(7) . . . . ? C13 Ta1 Ta3 C34' -45.5(5) . . . . ? C12 Ta1 Ta3 C34' -4.7(4) . . . . ? C14 Ta1 Ta3 C34' -80.9(13) . . . . ? C11 Ta1 Ta3 C34' 34.9(5) . . . . ? C15 Ta1 Ta3 C34' 70.7(7) . . . . ? Cl1 Ta1 Ta3 C34' 143.3(3) . . . . ? Cl4 Ta1 Ta3 C34' -135.6(3) . . . . ? Cl3 Ta1 Ta3 C34' 60.5(3) . . . . ? Cl6 Ta1 Ta3 C34' -53.6(3) . . . . ? Ta2 Ta1 Ta3 C34' -176.5(3) . . . . ? C13 Ta1 Ta3 C31 52.5(15) . . . . ? C12 Ta1 Ta3 C31 93.3(15) . . . . ? C14 Ta1 Ta3 C31 17.0(19) . . . . ? C11 Ta1 Ta3 C31 132.9(15) . . . . ? C15 Ta1 Ta3 C31 168.7(15) . . . . ? Cl1 Ta1 Ta3 C31 -118.7(14) . . . . ? Cl4 Ta1 Ta3 C31 -37.6(14) . . . . ? Cl3 Ta1 Ta3 C31 158.5(14) . . . . ? Cl6 Ta1 Ta3 C31 44.3(14) . . . . ? Ta2 Ta1 Ta3 C31 -78.6(14) . . . . ? C13 Ta1 Ta3 C33 -77.6(5) . . . . ? C12 Ta1 Ta3 C33 -36.8(5) . . . . ? C14 Ta1 Ta3 C33 -113.0(13) . . . . ? C11 Ta1 Ta3 C33 2.8(5) . . . . ? C15 Ta1 Ta3 C33 38.6(7) . . . . ? Cl1 Ta1 Ta3 C33 111.2(3) . . . . ? Cl4 Ta1 Ta3 C33 -167.7(3) . . . . ? Cl3 Ta1 Ta3 C33 28.4(3) . . . . ? Cl6 Ta1 Ta3 C33 -85.7(3) . . . . ? Ta2 Ta1 Ta3 C33 151.4(3) . . . . ? C13 Ta1 Ta3 C32' -124.6(6) . . . . ? C12 Ta1 Ta3 C32' -83.8(6) . . . . ? C14 Ta1 Ta3 C32' -160.0(13) . . . . ? C11 Ta1 Ta3 C32' -44.2(6) . . . . ? C15 Ta1 Ta3 C32' -8.4(8) . . . . ? Cl1 Ta1 Ta3 C32' 64.3(5) . . . . ? Cl4 Ta1 Ta3 C32' 145.3(5) . . . . ? Cl3 Ta1 Ta3 C32' -18.5(5) . . . . ? Cl6 Ta1 Ta3 C32' -132.7(5) . . . . ? Ta2 Ta1 Ta3 C32' 104.4(5) . . . . ? C13 Ta1 Ta3 C32 -115.7(6) . . . . ? C12 Ta1 Ta3 C32 -74.9(6) . . . . ? C14 Ta1 Ta3 C32 -151.1(13) . . . . ? C11 Ta1 Ta3 C32 -35.3(6) . . . . ? C15 Ta1 Ta3 C32 0.5(8) . . . . ? Cl1 Ta1 Ta3 C32 73.1(5) . . . . ? Cl4 Ta1 Ta3 C32 154.2(5) . . . . ? Cl3 Ta1 Ta3 C32 -9.7(5) . . . . ? Cl6 Ta1 Ta3 C32 -123.8(5) . . . . ? Ta2 Ta1 Ta3 C32 113.3(5) . . . . ? C13 Ta1 Ta3 C33' -86.8(5) . . . . ? C12 Ta1 Ta3 C33' -46.0(5) . . . . ? C14 Ta1 Ta3 C33' -122.2(13) . . . . ? C11 Ta1 Ta3 C33' -6.4(5) . . . . ? C15 Ta1 Ta3 C33' 29.4(7) . . . . ? Cl1 Ta1 Ta3 C33' 102.0(3) . . . . ? Cl4 Ta1 Ta3 C33' -176.9(3) . . . . ? Cl3 Ta1 Ta3 C33' 19.2(3) . . . . ? Cl6 Ta1 Ta3 C33' -94.9(3) . . . . ? Ta2 Ta1 Ta3 C33' 142.2(3) . . . . ? C13 Ta1 Ta3 Cl2 170.8(4) . . . . ? C12 Ta1 Ta3 Cl2 -148.4(3) . . . . ? C14 Ta1 Ta3 Cl2 135.4(12) . . . . ? C11 Ta1 Ta3 Cl2 -108.8(4) . . . . ? C15 Ta1 Ta3 Cl2 -73.0(6) . . . . ? Cl1 Ta1 Ta3 Cl2 -0.39(9) . . . . ? Cl4 Ta1 Ta3 Cl2 80.70(9) . . . . ? Cl3 Ta1 Ta3 Cl2 -83.19(10) . . . . ? Cl6 Ta1 Ta3 Cl2 162.67(10) . . . . ? Ta2 Ta1 Ta3 Cl2 39.77(7) . . . . ? C13 Ta1 Ta3 Cl6 8.1(4) . . . . ? C12 Ta1 Ta3 Cl6 48.9(3) . . . . ? C14 Ta1 Ta3 Cl6 -27.3(12) . . . . ? C11 Ta1 Ta3 Cl6 88.5(4) . . . . ? C15 Ta1 Ta3 Cl6 124.3(6) . . . . ? Cl1 Ta1 Ta3 Cl6 -163.06(10) . . . . ? Cl4 Ta1 Ta3 Cl6 -81.97(10) . . . . ? Cl3 Ta1 Ta3 Cl6 114.14(11) . . . . ? Cl6 Ta1 Ta3 Cl6 0.0 . . . . ? Ta2 Ta1 Ta3 Cl6 -122.90(8) . . . . ? C13 Ta1 Ta3 Cl3 -106.0(4) . . . . ? C12 Ta1 Ta3 Cl3 -65.2(3) . . . . ? C14 Ta1 Ta3 Cl3 -141.4(12) . . . . ? C11 Ta1 Ta3 Cl3 -25.6(4) . . . . ? C15 Ta1 Ta3 Cl3 10.2(6) . . . . ? Cl1 Ta1 Ta3 Cl3 82.80(10) . . . . ? Cl4 Ta1 Ta3 Cl3 163.89(10) . . . . ? Cl3 Ta1 Ta3 Cl3 0.0 . . . . ? Cl6 Ta1 Ta3 Cl3 -114.14(11) . . . . ? Ta2 Ta1 Ta3 Cl3 122.96(8) . . . . ? C13 Ta1 Ta3 Cl5 90.0(4) . . . . ? C12 Ta1 Ta3 Cl5 130.8(3) . . . . ? C14 Ta1 Ta3 Cl5 54.6(12) . . . . ? C11 Ta1 Ta3 Cl5 170.4(4) . . . . ? C15 Ta1 Ta3 Cl5 -153.8(6) . . . . ? Cl1 Ta1 Ta3 Cl5 -81.17(8) . . . . ? Cl4 Ta1 Ta3 Cl5 -0.08(9) . . . . ? Cl3 Ta1 Ta3 Cl5 -163.97(10) . . . . ? Cl6 Ta1 Ta3 Cl5 81.89(10) . . . . ? Ta2 Ta1 Ta3 Cl5 -41.01(6) . . . . ? C13 Ta1 Ta3 Ta2 131.0(3) . . . . ? C12 Ta1 Ta3 Ta2 171.8(3) . . . . ? C14 Ta1 Ta3 Ta2 95.6(12) . . . . ? C11 Ta1 Ta3 Ta2 -148.6(4) . . . . ? C15 Ta1 Ta3 Ta2 -112.8(6) . . . . ? Cl1 Ta1 Ta3 Ta2 -40.17(6) . . . . ? Cl4 Ta1 Ta3 Ta2 40.93(6) . . . . ? Cl3 Ta1 Ta3 Ta2 -122.96(8) . . . . ? Cl6 Ta1 Ta3 Ta2 122.90(8) . . . . ? Ta2 Ta1 Ta3 Ta2 0.0 . . . . ? C13 Ta1 Cl1 Ta2 -125.4(3) . . . . ? C12 Ta1 Cl1 Ta2 -174.8(4) . . . . ? C14 Ta1 Cl1 Ta2 -126.0(2) . . . . ? C11 Ta1 Cl1 Ta2 176.2(3) . . . . ? C15 Ta1 Cl1 Ta2 -156.8(3) . . . . ? Cl4 Ta1 Cl1 Ta2 -44.72(7) . . . . ? Cl3 Ta1 Cl1 Ta2 96.14(7) . . . . ? Cl6 Ta1 Cl1 Ta2 26.84(15) . . . . ? Ta2 Ta1 Cl1 Ta2 0.0 . . . . ? Ta3 Ta1 Cl1 Ta2 46.60(5) . . . . ? C23 Ta2 Cl1 Ta1 121.6(4) . . . . ? C24 Ta2 Cl1 Ta1 130.1(3) . . . . ? C25 Ta2 Cl1 Ta1 163.2(3) . . . . ? C22 Ta2 Cl1 Ta1 163.2(6) . . . . ? C21 Ta2 Cl1 Ta1 -175.6(3) . . . . ? Cl2 Ta2 Cl1 Ta1 -96.31(8) . . . . ? Cl5 Ta2 Cl1 Ta1 -24.96(15) . . . . ? Cl4 Ta2 Cl1 Ta1 44.61(7) . . . . ? Ta1 Ta2 Cl1 Ta1 0.0 . . . . ? Ta3 Ta2 Cl1 Ta1 -46.82(5) . . . . ? C23 Ta2 Cl2 Ta3 -127.6(4) . . . . ? C24 Ta2 Cl2 Ta3 -176.9(4) . . . . ? C25 Ta2 Cl2 Ta3 176.9(3) . . . . ? C22 Ta2 Cl2 Ta3 -124.6(3) . . . . ? C21 Ta2 Cl2 Ta3 -154.0(3) . . . . ? Cl1 Ta2 Cl2 Ta3 96.27(8) . . . . ? Cl5 Ta2 Cl2 Ta3 -44.63(8) . . . . ? Cl4 Ta2 Cl2 Ta3 24.9(2) . . . . ? Ta1 Ta2 Cl2 Ta3 46.70(6) . . . . ? Ta3 Ta2 Cl2 Ta3 0.0 . . . . ? C35' Ta3 Cl2 Ta2 128.7(3) . . . . ? C35 Ta3 Cl2 Ta2 122.4(2) . . . . ? C34 Ta3 Cl2 Ta2 167.3(4) . . . . ? C31' Ta3 Cl2 Ta2 124.3(2) . . . . ? C34' Ta3 Cl2 Ta2 176.6(3) . . . . ? C31 Ta3 Cl2 Ta2 127.6(2) . . . . ? C33 Ta3 Cl2 Ta2 -176.3(2) . . . . ? C32' Ta3 Cl2 Ta2 153.9(3) . . . . ? C32 Ta3 Cl2 Ta2 160.3(2) . . . . ? C33' Ta3 Cl2 Ta2 -177.9(2) . . . . ? Cl6 Ta3 Cl2 Ta2 -26.0(2) . . . . ? Cl3 Ta3 Cl2 Ta2 -96.17(8) . . . . ? Cl5 Ta3 Cl2 Ta2 44.70(8) . . . . ? Ta2 Ta3 Cl2 Ta2 0.0 . . . . ? Ta1 Ta3 Cl2 Ta2 -46.43(6) . . . . ? C35' Ta3 Cl3 Ta1 -124.1(2) . . . . ? C35 Ta3 Cl3 Ta1 -127.3(3) . . . . ? C34 Ta3 Cl3 Ta1 -126.4(2) . . . . ? C31' Ta3 Cl3 Ta1 -168.2(3) . . . . ? C34' Ta3 Cl3 Ta1 -131.9(2) . . . . ? C31 Ta3 Cl3 Ta1 -176.4(3) . . . . ? C33 Ta3 Cl3 Ta1 -157.5(3) . . . . ? C32' Ta3 Cl3 Ta1 172.7(2) . . . . ? C32 Ta3 Cl3 Ta1 175.4(2) . . . . ? C33' Ta3 Cl3 Ta1 -165.4(3) . . . . ? Cl2 Ta3 Cl3 Ta1 95.98(8) . . . . ? Cl6 Ta3 Cl3 Ta1 -45.31(7) . . . . ? Cl5 Ta3 Cl3 Ta1 24.81(15) . . . . ? Ta2 Ta3 Cl3 Ta1 46.56(5) . . . . ? Ta1 Ta3 Cl3 Ta1 0.0 . . . . ? C13 Ta1 Cl3 Ta3 123.0(3) . . . . ? C12 Ta1 Cl3 Ta3 127.8(3) . . . . ? C14 Ta1 Cl3 Ta3 170.2(4) . . . . ? C11 Ta1 Cl3 Ta3 159.7(3) . . . . ? C15 Ta1 Cl3 Ta3 -175.7(3) . . . . ? Cl1 Ta1 Cl3 Ta3 -96.42(8) . . . . ? Cl4 Ta1 Cl3 Ta3 -24.9(2) . . . . ? Cl6 Ta1 Cl3 Ta3 44.96(7) . . . . ? Ta2 Ta1 Cl3 Ta3 -46.58(5) . . . . ? Ta3 Ta1 Cl3 Ta3 0.0 . . . . ? C13 Ta1 Cl4 Ta2 176.2(3) . . . . ? C12 Ta1 Cl4 Ta2 -175.2(3) . . . . ? C14 Ta1 Cl4 Ta2 141.2(2) . . . . ? C11 Ta1 Cl4 Ta2 144.2(5) . . . . ? C15 Ta1 Cl4 Ta2 121.4(3) . . . . ? Cl1 Ta1 Cl4 Ta2 44.62(7) . . . . ? Cl3 Ta1 Cl4 Ta2 -28.6(2) . . . . ? Cl6 Ta1 Cl4 Ta2 -96.68(8) . . . . ? Ta2 Ta1 Cl4 Ta2 0.0 . . . . ? Ta3 Ta1 Cl4 Ta2 -47.45(6) . . . . ? C23 Ta2 Cl4 Ta1 -170.8(3) . . . . ? C24 Ta2 Cl4 Ta1 -135.4(3) . . . . ? C25 Ta2 Cl4 Ta1 -120.0(3) . . . . ? C22 Ta2 Cl4 Ta1 175.2(3) . . . . ? C21 Ta2 Cl4 Ta1 -152.8(5) . . . . ? Cl2 Ta2 Cl4 Ta1 28.9(2) . . . . ? Cl1 Ta2 Cl4 Ta1 -44.47(8) . . . . ? Cl5 Ta2 Cl4 Ta1 97.29(8) . . . . ? Ta1 Ta2 Cl4 Ta1 0.0 . . . . ? Ta3 Ta2 Cl4 Ta1 47.68(6) . . . . ? C35' Ta3 Cl5 Ta2 -176.3(2) . . . . ? C35 Ta3 Cl5 Ta2 -171.5(2) . . . . ? C34 Ta3 Cl5 Ta2 175.9(2) . . . . ? C31' Ta3 Cl5 Ta2 -142.7(2) . . . . ? C34' Ta3 Cl5 Ta2 179.2(3) . . . . ? C31 Ta3 Cl5 Ta2 -136.6(2) . . . . ? C33 Ta3 Cl5 Ta2 -147.7(4) . . . . ? C32' Ta3 Cl5 Ta2 -119.6(2) . . . . ? C32 Ta3 Cl5 Ta2 -119.9(2) . . . . ? C33' Ta3 Cl5 Ta2 -136.0(4) . . . . ? Cl2 Ta3 Cl5 Ta2 -44.31(8) . . . . ? Cl6 Ta3 Cl5 Ta2 97.31(8) . . . . ? Cl3 Ta3 Cl5 Ta2 28.79(15) . . . . ? Ta2 Ta3 Cl5 Ta2 0.0 . . . . ? Ta1 Ta3 Cl5 Ta2 47.56(5) . . . . ? C23 Ta2 Cl5 Ta3 178.0(4) . . . . ? C24 Ta2 Cl5 Ta3 -177.4(4) . . . . ? C25 Ta2 Cl5 Ta3 138.7(4) . . . . ? C22 Ta2 Cl5 Ta3 145.7(4) . . . . ? C21 Ta2 Cl5 Ta3 121.9(3) . . . . ? Cl2 Ta2 Cl5 Ta3 44.38(8) . . . . ? Cl1 Ta2 Cl5 Ta3 -28.98(15) . . . . ? Cl4 Ta2 Cl5 Ta3 -97.40(8) . . . . ? Ta1 Ta2 Cl5 Ta3 -47.83(5) . . . . ? Ta3 Ta2 Cl5 Ta3 0.0 . . . . ? C35' Ta3 Cl6 Ta1 171.6(2) . . . . ? C35 Ta3 Cl6 Ta1 178.2(2) . . . . ? C34 Ta3 Cl6 Ta1 144.0(3) . . . . ? C31' Ta3 Cl6 Ta1 -173.0(2) . . . . ? C34' Ta3 Cl6 Ta1 136.4(2) . . . . ? C31 Ta3 Cl6 Ta1 -174.2(2) . . . . ? C33 Ta3 Cl6 Ta1 122.4(2) . . . . ? C32' Ta3 Cl6 Ta1 153.2(4) . . . . ? C32 Ta3 Cl6 Ta1 143.3(3) . . . . ? C33' Ta3 Cl6 Ta1 121.2(2) . . . . ? Cl2 Ta3 Cl6 Ta1 -27.0(2) . . . . ? Cl3 Ta3 Cl6 Ta1 45.24(7) . . . . ? Cl5 Ta3 Cl6 Ta1 -96.34(8) . . . . ? Ta2 Ta3 Cl6 Ta1 -46.60(5) . . . . ? Ta1 Ta3 Cl6 Ta1 0.0 . . . . ? C13 Ta1 Cl6 Ta3 -174.4(2) . . . . ? C12 Ta1 Cl6 Ta3 -138.7(3) . . . . ? C14 Ta1 Cl6 Ta3 174.4(3) . . . . ? C11 Ta1 Cl6 Ta3 -121.2(3) . . . . ? C15 Ta1 Cl6 Ta3 -148.1(4) . . . . ? Cl1 Ta1 Cl6 Ta3 26.32(15) . . . . ? Cl4 Ta1 Cl6 Ta3 96.48(8) . . . . ? Cl3 Ta1 Cl6 Ta3 -45.20(7) . . . . ? Ta2 Ta1 Cl6 Ta3 46.62(5) . . . . ? Ta3 Ta1 Cl6 Ta3 0.0 . . . . ? C13 Ta1 C11 C12 38.4(6) . . . . ? C12 Ta1 C11 C12 0.000(3) . . . . ? C14 Ta1 C11 C12 80.7(6) . . . . ? C15 Ta1 C11 C12 116.9(8) . . . . ? Cl1 Ta1 C11 C12 168.7(6) . . . . ? Cl4 Ta1 C11 C12 77.2(8) . . . . ? Cl3 Ta1 C11 C12 -107.5(6) . . . . ? Cl6 Ta1 C11 C12 -32.5(6) . . . . ? Ta2 Ta1 C11 C12 175.1(5) . . . . ? Ta3 Ta1 C11 C12 -88.0(6) . . . . ? C13 Ta1 C11 C15 -78.5(6) . . . . ? C12 Ta1 C11 C15 -116.9(8) . . . . ? C14 Ta1 C11 C15 -36.2(6) . . . . ? C15 Ta1 C11 C15 0.000(4) . . . . ? Cl1 Ta1 C11 C15 51.8(6) . . . . ? Cl4 Ta1 C11 C15 -39.7(8) . . . . ? Cl3 Ta1 C11 C15 135.5(6) . . . . ? Cl6 Ta1 C11 C15 -149.5(5) . . . . ? Ta2 Ta1 C11 C15 58.2(8) . . . . ? Ta3 Ta1 C11 C15 155.1(5) . . . . ? C13 Ta1 C11 C16 160.7(15) . . . . ? C12 Ta1 C11 C16 122.3(16) . . . . ? C14 Ta1 C11 C16 -157.0(15) . . . . ? C15 Ta1 C11 C16 -120.8(16) . . . . ? Cl1 Ta1 C11 C16 -69.0(14) . . . . ? Cl4 Ta1 C11 C16 -160.5(11) . . . . ? Cl3 Ta1 C11 C16 14.7(13) . . . . ? Cl6 Ta1 C11 C16 89.7(13) . . . . ? Ta2 Ta1 C11 C16 -62.6(16) . . . . ? Ta3 Ta1 C11 C16 34.3(15) . . . . ? C15 C11 C12 C13 -0.3(12) . . . . ? C16 C11 C12 C13 172.8(10) . . . . ? Ta1 C11 C12 C13 -64.1(7) . . . . ? C15 C11 C12 C17 -173.9(10) . . . . ? C16 C11 C12 C17 -0.8(18) . . . . ? Ta1 C11 C12 C17 122.3(11) . . . . ? C15 C11 C12 Ta1 63.8(7) . . . . ? C16 C11 C12 Ta1 -123.1(11) . . . . ? Ta1 C11 C12 Ta1 0.000(1) . . . . ? C13 Ta1 C12 C11 -115.9(9) . . . . ? C14 Ta1 C12 C11 -77.4(7) . . . . ? C11 Ta1 C12 C11 0.000(3) . . . . ? C15 Ta1 C12 C11 -37.2(6) . . . . ? Cl1 Ta1 C12 C11 -15.9(8) . . . . ? Cl4 Ta1 C12 C11 -130.7(6) . . . . ? Cl3 Ta1 C12 C11 70.6(6) . . . . ? Cl6 Ta1 C12 C11 149.9(6) . . . . ? Ta2 Ta1 C12 C11 -161.8(18) . . . . ? Ta3 Ta1 C12 C11 114.6(6) . . . . ? C13 Ta1 C12 C13 0.0 . . . . ? C14 Ta1 C12 C13 38.5(6) . . . . ? C11 Ta1 C12 C13 115.9(9) . . . . ? C15 Ta1 C12 C13 78.7(7) . . . . ? Cl1 Ta1 C12 C13 100.0(6) . . . . ? Cl4 Ta1 C12 C13 -14.7(8) . . . . ? Cl3 Ta1 C12 C13 -173.5(6) . . . . ? Cl6 Ta1 C12 C13 -94.1(6) . . . . ? Ta2 Ta1 C12 C13 -45.9(25) . . . . ? Ta3 Ta1 C12 C13 -129.5(6) . . . . ? C13 Ta1 C12 C17 120.0(13) . . . . ? C14 Ta1 C12 C17 158.5(12) . . . . ? C11 Ta1 C12 C17 -124.0(13) . . . . ? C15 Ta1 C12 C17 -161.2(12) . . . . ? Cl1 Ta1 C12 C17 -140.0(10) . . . . ? Cl4 Ta1 C12 C17 105.3(10) . . . . ? Cl3 Ta1 C12 C17 -53.5(11) . . . . ? Cl6 Ta1 C12 C17 25.9(10) . . . . ? Ta2 Ta1 C12 C17 74.1(24) . . . . ? Ta3 Ta1 C12 C17 -9.4(12) . . . . ? C11 C12 C13 C14 0.5(11) . . . . ? C17 C12 C13 C14 174.2(10) . . . . ? Ta1 C12 C13 C14 -66.4(6) . . . . ? C11 C12 C13 C18 -172.4(10) . . . . ? C17 C12 C13 C18 1.3(18) . . . . ? Ta1 C12 C13 C18 120.8(11) . . . . ? C11 C12 C13 Ta1 66.9(7) . . . . ? C17 C12 C13 Ta1 -119.4(11) . . . . ? Ta1 C12 C13 Ta1 0.0 . . . . ? C12 Ta1 C13 C14 114.0(9) . . . . ? C14 Ta1 C13 C14 0.0 . . . . ? C11 Ta1 C13 C14 77.8(6) . . . . ? C15 Ta1 C13 C14 36.4(6) . . . . ? Cl1 Ta1 C13 C14 -1.1(7) . . . . ? Cl4 Ta1 C13 C14 -78.3(5) . . . . ? Cl3 Ta1 C13 C14 122.2(5) . . . . ? Cl6 Ta1 C13 C14 -163.3(6) . . . . ? Ta2 Ta1 C13 C14 -73.8(7) . . . . ? Ta3 Ta1 C13 C14 -169.5(4) . . . . ? C12 Ta1 C13 C12 0.0 . . . . ? C14 Ta1 C13 C12 -114.0(9) . . . . ? C11 Ta1 C13 C12 -36.1(7) . . . . ? C15 Ta1 C13 C12 -77.6(7) . . . . ? Cl1 Ta1 C13 C12 -115.1(6) . . . . ? Cl4 Ta1 C13 C12 167.8(6) . . . . ? Cl3 Ta1 C13 C12 8.2(8) . . . . ? Cl6 Ta1 C13 C12 82.8(6) . . . . ? Ta2 Ta1 C13 C12 172.2(5) . . . . ? Ta3 Ta1 C13 C12 76.6(7) . . . . ? C12 Ta1 C13 C18 -123.6(12) . . . . ? C14 Ta1 C13 C18 122.4(12) . . . . ? C11 Ta1 C13 C18 -159.8(11) . . . . ? C15 Ta1 C13 C18 158.8(11) . . . . ? Cl1 Ta1 C13 C18 121.3(8) . . . . ? Cl4 Ta1 C13 C18 44.2(9) . . . . ? Cl3 Ta1 C13 C18 -115.4(9) . . . . ? Cl6 Ta1 C13 C18 -40.9(9) . . . . ? Ta2 Ta1 C13 C18 48.6(11) . . . . ? Ta3 Ta1 C13 C18 -47.0(10) . . . . ? C12 C13 C14 C15 -0.6(11) . . . . ? C18 C13 C14 C15 172.4(10) . . . . ? Ta1 C13 C14 C15 -66.4(7) . . . . ? C12 C13 C14 C19 -171.4(10) . . . . ? C18 C13 C14 C19 1.6(16) . . . . ? Ta1 C13 C14 C19 122.8(10) . . . . ? C12 C13 C14 Ta1 65.9(7) . . . . ? C18 C13 C14 Ta1 -121.1(10) . . . . ? Ta1 C13 C14 Ta1 0.0 . . . . ? C13 Ta1 C14 C15 115.9(9) . . . . ? C12 Ta1 C14 C15 77.1(7) . . . . ? C11 Ta1 C14 C15 37.2(6) . . . . ? C15 Ta1 C14 C15 0.000(2) . . . . ? Cl1 Ta1 C14 C15 -64.9(6) . . . . ? Cl4 Ta1 C14 C15 -145.1(6) . . . . ? Cl3 Ta1 C14 C15 24.9(8) . . . . ? Cl6 Ta1 C14 C15 135.5(5) . . . . ? Ta2 Ta1 C14 C15 -111.1(6) . . . . ? Ta3 Ta1 C14 C15 159.5(10) . . . . ? C13 Ta1 C14 C13 0.0 . . . . ? C12 Ta1 C14 C13 -38.8(6) . . . . ? C11 Ta1 C14 C13 -78.8(6) . . . . ? C15 Ta1 C14 C13 -115.9(9) . . . . ? Cl1 Ta1 C14 C13 179.1(5) . . . . ? Cl4 Ta1 C14 C13 98.9(6) . . . . ? Cl3 Ta1 C14 C13 -91.0(6) . . . . ? Cl6 Ta1 C14 C13 19.5(6) . . . . ? Ta2 Ta1 C14 C13 133.0(5) . . . . ? Ta3 Ta1 C14 C13 43.6(15) . . . . ? C13 Ta1 C14 C19 -119.8(12) . . . . ? C12 Ta1 C14 C19 -158.6(11) . . . . ? C11 Ta1 C14 C19 161.4(11) . . . . ? C15 Ta1 C14 C19 124.3(12) . . . . ? Cl1 Ta1 C14 C19 59.4(10) . . . . ? Cl4 Ta1 C14 C19 -20.8(9) . . . . ? Cl3 Ta1 C14 C19 149.2(8) . . . . ? Cl6 Ta1 C14 C19 -100.2(9) . . . . ? Ta2 Ta1 C14 C19 13.2(11) . . . . ? Ta3 Ta1 C14 C19 -76.2(17) . . . . ? C13 C14 C15 C11 0.4(11) . . . . ? C19 C14 C15 C11 171.1(10) . . . . ? Ta1 C14 C15 C11 -63.2(7) . . . . ? C13 C14 C15 C20 -174.9(10) . . . . ? C19 C14 C15 C20 -4.3(17) . . . . ? Ta1 C14 C15 C20 121.5(10) . . . . ? C13 C14 C15 Ta1 63.6(7) . . . . ? C19 C14 C15 Ta1 -125.7(10) . . . . ? Ta1 C14 C15 Ta1 0.0 . . . . ? C12 C11 C15 C14 -0.1(11) . . . . ? C16 C11 C15 C14 -173.4(10) . . . . ? Ta1 C11 C15 C14 62.3(7) . . . . ? C12 C11 C15 C20 175.2(10) . . . . ? C16 C11 C15 C20 1.9(17) . . . . ? Ta1 C11 C15 C20 -122.4(10) . . . . ? C12 C11 C15 Ta1 -62.4(7) . . . . ? C16 C11 C15 Ta1 124.3(10) . . . . ? Ta1 C11 C15 Ta1 0.000(2) . . . . ? C13 Ta1 C15 C14 -38.1(6) . . . . ? C12 Ta1 C15 C14 -80.8(6) . . . . ? C14 Ta1 C15 C14 0.000(2) . . . . ? C11 Ta1 C15 C14 -116.8(9) . . . . ? Cl1 Ta1 C15 C14 114.0(6) . . . . ? Cl4 Ta1 C15 C14 37.1(6) . . . . ? Cl3 Ta1 C15 C14 -162.9(5) . . . . ? Cl6 Ta1 C15 C14 -69.7(8) . . . . ? Ta2 Ta1 C15 C14 91.9(6) . . . . ? Ta3 Ta1 C15 C14 -171.0(4) . . . . ? C13 Ta1 C15 C11 78.7(6) . . . . ? C12 Ta1 C15 C11 36.0(6) . . . . ? C14 Ta1 C15 C11 116.8(9) . . . . ? C11 Ta1 C15 C11 0.000(4) . . . . ? Cl1 Ta1 C15 C11 -129.2(6) . . . . ? Cl4 Ta1 C15 C11 153.9(5) . . . . ? Cl3 Ta1 C15 C11 -46.1(6) . . . . ? Cl6 Ta1 C15 C11 47.1(8) . . . . ? Ta2 Ta1 C15 C11 -151.3(5) . . . . ? Ta3 Ta1 C15 C11 -54.2(9) . . . . ? C13 Ta1 C15 C20 -158.9(13) . . . . ? C12 Ta1 C15 C20 158.4(13) . . . . ? C14 Ta1 C15 C20 -120.8(14) . . . . ? C11 Ta1 C15 C20 122.4(14) . . . . ? Cl1 Ta1 C15 C20 -6.8(11) . . . . ? Cl4 Ta1 C15 C20 -83.7(12) . . . . ? Cl3 Ta1 C15 C20 76.3(12) . . . . ? Cl6 Ta1 C15 C20 169.5(10) . . . . ? Ta2 Ta1 C15 C20 -28.9(13) . . . . ? Ta3 Ta1 C15 C20 68.2(15) . . . . ? C14 C15 C20 C2A 85.7(17) . . . . ? C11 C15 C20 C2A -88.8(17) . . . . ? Ta1 C15 C20 C2A 177.3(11) . . . . ? C23 Ta2 C21 C25 80.4(7) . . . . ? C24 Ta2 C21 C25 38.0(7) . . . . ? C25 Ta2 C21 C25 0.000(2) . . . . ? C22 Ta2 C21 C25 116.1(10) . . . . ? Cl2 Ta2 C21 C25 -122.2(7) . . . . ? Cl1 Ta2 C21 C25 -39.2(7) . . . . ? Cl5 Ta2 C21 C25 160.5(6) . . . . ? Cl4 Ta2 C21 C25 58.9(9) . . . . ? Ta1 Ta2 C21 C25 -48.4(12) . . . . ? Ta3 Ta2 C21 C25 -146.5(6) . . . . ? C23 Ta2 C21 C22 -35.7(7) . . . . ? C24 Ta2 C21 C22 -78.1(8) . . . . ? C25 Ta2 C21 C22 -116.1(10) . . . . ? C22 Ta2 C21 C22 0.000(2) . . . . ? Cl2 Ta2 C21 C22 121.7(7) . . . . ? Cl1 Ta2 C21 C22 -155.3(7) . . . . ? Cl5 Ta2 C21 C22 44.4(7) . . . . ? Cl4 Ta2 C21 C22 -57.2(9) . . . . ? Ta1 Ta2 C21 C22 -164.5(7) . . . . ? Ta3 Ta2 C21 C22 97.4(7) . . . . ? C23 Ta2 C21 C26 -161.1(16) . . . . ? C24 Ta2 C21 C26 156.5(16) . . . . ? C25 Ta2 C21 C26 118.5(17) . . . . ? C22 Ta2 C21 C26 -125.4(17) . . . . ? Cl2 Ta2 C21 C26 -3.7(13) . . . . ? Cl1 Ta2 C21 C26 79.3(14) . . . . ? Cl5 Ta2 C21 C26 -81.0(14) . . . . ? Cl4 Ta2 C21 C26 177.4(11) . . . . ? Ta1 Ta2 C21 C26 70.0(16) . . . . ? Ta3 Ta2 C21 C26 -28.0(15) . . . . ? C25 C21 C22 C23 0.6(12) . . . . ? C26 C21 C22 C23 -175.7(12) . . . . ? Ta2 C21 C22 C23 62.3(8) . . . . ? C25 C21 C22 C27 176.0(11) . . . . ? C26 C21 C22 C27 -0.2(19) . . . . ? Ta2 C21 C22 C27 -122.3(12) . . . . ? C25 C21 C22 Ta2 -61.7(7) . . . . ? C26 C21 C22 Ta2 122.1(12) . . . . ? Ta2 C21 C22 Ta2 0.000(1) . . . . ? C23 Ta2 C22 C23 0.000(2) . . . . ? C24 Ta2 C22 C23 -39.5(7) . . . . ? C25 Ta2 C22 C23 -80.4(8) . . . . ? C21 Ta2 C22 C23 -117.5(11) . . . . ? Cl2 Ta2 C22 C23 -175.9(7) . . . . ? Cl1 Ta2 C22 C23 -80.4(9) . . . . ? Cl5 Ta2 C22 C23 105.0(7) . . . . ? Cl4 Ta2 C22 C23 25.7(8) . . . . ? Ta1 Ta2 C22 C23 40.2(16) . . . . ? Ta3 Ta2 C22 C23 135.9(7) . . . . ? C23 Ta2 C22 C21 117.5(11) . . . . ? C24 Ta2 C22 C21 78.0(7) . . . . ? C25 Ta2 C22 C21 37.1(7) . . . . ? C21 Ta2 C22 C21 0.000(3) . . . . ? Cl2 Ta2 C22 C21 -58.5(7) . . . . ? Cl1 Ta2 C22 C21 37.1(10) . . . . ? Cl5 Ta2 C22 C21 -137.5(7) . . . . ? Cl4 Ta2 C22 C21 143.2(6) . . . . ? Ta1 Ta2 C22 C21 157.6(9) . . . . ? Ta3 Ta2 C22 C21 -106.7(6) . . . . ? C23 Ta2 C22 C27 -122.9(16) . . . . ? C24 Ta2 C22 C27 -162.4(15) . . . . ? C25 Ta2 C22 C27 156.7(15) . . . . ? C21 Ta2 C22 C27 119.6(17) . . . . ? Cl2 Ta2 C22 C27 61.1(14) . . . . ? Cl1 Ta2 C22 C27 156.7(11) . . . . ? Cl5 Ta2 C22 C27 -17.9(13) . . . . ? Cl4 Ta2 C22 C27 -97.2(13) . . . . ? Ta1 Ta2 C22 C27 -82.7(20) . . . . ? Ta3 Ta2 C22 C27 13.0(15) . . . . ? C21 C22 C23 C24 1.6(13) . . . . ? C27 C22 C23 C24 -173.5(12) . . . . ? Ta2 C22 C23 C24 66.5(8) . . . . ? C21 C22 C23 C28 171.0(11) . . . . ? C27 C22 C23 C28 -4.2(20) . . . . ? Ta2 C22 C23 C28 -124.1(12) . . . . ? C21 C22 C23 Ta2 -64.9(8) . . . . ? C27 C22 C23 Ta2 120.0(13) . . . . ? Ta2 C22 C23 Ta2 0.0 . . . . ? C24 Ta2 C23 C22 113.5(11) . . . . ? C25 Ta2 C23 C22 77.9(8) . . . . ? C22 Ta2 C23 C22 0.000(2) . . . . ? C21 Ta2 C23 C22 36.9(7) . . . . ? Cl2 Ta2 C23 C22 5.5(9) . . . . ? Cl1 Ta2 C23 C22 128.2(7) . . . . ? Cl5 Ta2 C23 C22 -73.0(7) . . . . ? Cl4 Ta2 C23 C22 -156.8(7) . . . . ? Ta1 Ta2 C23 C22 -166.6(6) . . . . ? Ta3 Ta2 C23 C22 -70.5(9) . . . . ? C24 Ta2 C23 C24 0.000(5) . . . . ? C25 Ta2 C23 C24 -35.6(7) . . . . ? C22 Ta2 C23 C24 -113.5(11) . . . . ? C21 Ta2 C23 C24 -76.6(8) . . . . ? Cl2 Ta2 C23 C24 -108.0(8) . . . . ? Cl1 Ta2 C23 C24 14.7(9) . . . . ? Cl5 Ta2 C23 C24 173.5(7) . . . . ? Cl4 Ta2 C23 C24 89.7(8) . . . . ? Ta1 Ta2 C23 C24 79.9(8) . . . . ? Ta3 Ta2 C23 C24 176.0(5) . . . . ? C24 Ta2 C23 C28 -124.0(17) . . . . ? C25 Ta2 C23 C28 -159.6(15) . . . . ? C22 Ta2 C23 C28 122.5(16) . . . . ? C21 Ta2 C23 C28 159.4(15) . . . . ? Cl2 Ta2 C23 C28 128.0(12) . . . . ? Cl1 Ta2 C23 C28 -109.3(12) . . . . ? Cl5 Ta2 C23 C28 49.5(13) . . . . ? Cl4 Ta2 C23 C28 -34.3(13) . . . . ? Ta1 Ta2 C23 C28 -44.1(15) . . . . ? Ta3 Ta2 C23 C28 52.0(16) . . . . ? C22 C23 C24 C25 -3.3(13) . . . . ? C28 C23 C24 C25 -172.3(11) . . . . ? Ta2 C23 C24 C25 65.4(8) . . . . ? C22 C23 C24 C29 172.7(11) . . . . ? C28 C23 C24 C29 3.8(19) . . . . ? Ta2 C23 C24 C29 -118.5(11) . . . . ? C22 C23 C24 Ta2 -68.8(8) . . . . ? C28 C23 C24 Ta2 122.3(12) . . . . ? Ta2 C23 C24 Ta2 0.000(2) . . . . ? C23 Ta2 C24 C25 -117.9(11) . . . . ? C25 Ta2 C24 C25 0.000(2) . . . . ? C22 Ta2 C24 C25 -80.4(8) . . . . ? C21 Ta2 C24 C25 -38.4(7) . . . . ? Cl2 Ta2 C24 C25 -11.0(9) . . . . ? Cl1 Ta2 C24 C25 74.2(7) . . . . ? Cl5 Ta2 C24 C25 -125.9(6) . . . . ? Cl4 Ta2 C24 C25 154.9(7) . . . . ? Ta1 Ta2 C24 C25 116.6(6) . . . . ? Ta3 Ta2 C24 C25 -155.3(38) . . . . ? C23 Ta2 C24 C23 0.000(4) . . . . ? C25 Ta2 C24 C23 117.9(11) . . . . ? C22 Ta2 C24 C23 37.5(8) . . . . ? C21 Ta2 C24 C23 79.4(9) . . . . ? Cl2 Ta2 C24 C23 106.9(8) . . . . ? Cl1 Ta2 C24 C23 -167.9(8) . . . . ? Cl5 Ta2 C24 C23 -8.0(9) . . . . ? Cl4 Ta2 C24 C23 -87.3(8) . . . . ? Ta1 Ta2 C24 C23 -125.5(7) . . . . ? Ta3 Ta2 C24 C23 -37.4(46) . . . . ? C23 Ta2 C24 C29 120.4(14) . . . . ? C25 Ta2 C24 C29 -121.7(14) . . . . ? C22 Ta2 C24 C29 157.9(12) . . . . ? C21 Ta2 C24 C29 -160.1(12) . . . . ? Cl2 Ta2 C24 C29 -132.7(9) . . . . ? Cl1 Ta2 C24 C29 -47.5(10) . . . . ? Cl5 Ta2 C24 C29 112.4(10) . . . . ? Cl4 Ta2 C24 C29 33.2(10) . . . . ? Ta1 Ta2 C24 C29 -5.1(11) . . . . ? Ta3 Ta2 C24 C29 83.0(44) . . . . ? C23 C24 C25 C21 3.6(12) . . . . ? C29 C24 C25 C21 -172.4(10) . . . . ? Ta2 C24 C25 C21 67.4(7) . . . . ? C23 C24 C25 C30 173.6(10) . . . . ? C29 C24 C25 C30 -2.4(17) . . . . ? Ta2 C24 C25 C30 -122.6(10) . . . . ? C23 C24 C25 Ta2 -63.7(8) . . . . ? C29 C24 C25 Ta2 120.2(11) . . . . ? Ta2 C24 C25 Ta2 0.0 . . . . ? C22 C21 C25 C24 -2.5(11) . . . . ? C26 C21 C25 C24 173.9(11) . . . . ? Ta2 C21 C25 C24 -64.6(7) . . . . ? C22 C21 C25 C30 -172.3(10) . . . . ? C26 C21 C25 C30 4.2(18) . . . . ? Ta2 C21 C25 C30 125.6(11) . . . . ? C22 C21 C25 Ta2 62.1(7) . . . . ? C26 C21 C25 Ta2 -121.5(11) . . . . ? Ta2 C21 C25 Ta2 0.000(1) . . . . ? C23 Ta2 C25 C24 36.8(7) . . . . ? C24 Ta2 C25 C24 0.000(2) . . . . ? C22 Ta2 C25 C24 76.7(8) . . . . ? C21 Ta2 C25 C24 113.9(10) . . . . ? Cl2 Ta2 C25 C24 172.0(7) . . . . ? Cl1 Ta2 C25 C24 -103.3(7) . . . . ? Cl5 Ta2 C25 C24 84.8(8) . . . . ? Cl4 Ta2 C25 C24 -28.2(8) . . . . ? Ta1 Ta2 C25 C24 -86.8(7) . . . . ? Ta3 Ta2 C25 C24 176.6(5) . . . . ? C23 Ta2 C25 C21 -77.1(8) . . . . ? C24 Ta2 C25 C21 -113.9(10) . . . . ? C22 Ta2 C25 C21 -37.2(7) . . . . ? C21 Ta2 C25 C21 0.000(2) . . . . ? Cl2 Ta2 C25 C21 58.0(7) . . . . ? Cl1 Ta2 C25 C21 142.8(7) . . . . ? Cl5 Ta2 C25 C21 -29.1(9) . . . . ? Cl4 Ta2 C25 C21 -142.1(7) . . . . ? Ta1 Ta2 C25 C21 159.3(6) . . . . ? Ta3 Ta2 C25 C21 62.7(9) . . . . ? C23 Ta2 C25 C30 157.2(13) . . . . ? C24 Ta2 C25 C30 120.4(14) . . . . ? C22 Ta2 C25 C30 -162.9(13) . . . . ? C21 Ta2 C25 C30 -125.7(14) . . . . ? Cl2 Ta2 C25 C30 -67.6(11) . . . . ? Cl1 Ta2 C25 C30 17.1(10) . . . . ? Cl5 Ta2 C25 C30 -154.7(9) . . . . ? Cl4 Ta2 C25 C30 92.2(11) . . . . ? Ta1 Ta2 C25 C30 33.6(12) . . . . ? Ta3 Ta2 C25 C30 -63.0(13) . . . . ? C24 C25 C30 C3A -82.8(15) . . . . ? C21 C25 C30 C3A 85.2(15) . . . . ? Ta2 C25 C30 C3A -175.0(9) . . . . ? C35' Ta3 C31 C35 8.8(4) . . . . ? C35 Ta3 C31 C35 0.0 . . . . ? C34 Ta3 C31 C35 38.00(12) . . . . ? C31' Ta3 C31 C35 -23.0(17) . . . . ? C34' Ta3 C31 C35 47.8(4) . . . . ? C33 Ta3 C31 C35 79.4(2) . . . . ? C32' Ta3 C31 C35 123.5(5) . . . . ? C32 Ta3 C31 C35 116.09(12) . . . . ? C33' Ta3 C31 C35 88.5(4) . . . . ? Cl2 Ta3 C31 C35 -172.6(4) . . . . ? Cl6 Ta3 C31 C35 -13.3(4) . . . . ? Cl3 Ta3 C31 C35 101.8(5) . . . . ? Cl5 Ta3 C31 C35 -92.0(4) . . . . ? Ta2 Ta3 C31 C35 -129.0(3) . . . . ? Ta1 Ta3 C31 C35 -54.2(13) . . . . ? C35' Ta3 C31 C32 -107.3(4) . . . . ? C35 Ta3 C31 C32 -116.09(12) . . . . ? C34 Ta3 C31 C32 -78.1(2) . . . . ? C31' Ta3 C31 C32 -139.1(17) . . . . ? C34' Ta3 C31 C32 -68.3(5) . . . . ? C33 Ta3 C31 C32 -36.64(11) . . . . ? C32' Ta3 C31 C32 7.4(5) . . . . ? C32 Ta3 C31 C32 0.0 . . . . ? C33' Ta3 C31 C32 -27.6(4) . . . . ? Cl2 Ta3 C31 C32 71.4(4) . . . . ? Cl6 Ta3 C31 C32 -129.4(4) . . . . ? Cl3 Ta3 C31 C32 -14.2(5) . . . . ? Cl5 Ta3 C31 C32 151.9(4) . . . . ? Ta2 Ta3 C31 C32 114.9(3) . . . . ? Ta1 Ta3 C31 C32 -170.3(14) . . . . ? C35' Ta3 C31 C36 130.8(5) . . . . ? C35 Ta3 C31 C36 122.1(2) . . . . ? C34 Ta3 C31 C36 160.08(6) . . . . ? C31' Ta3 C31 C36 99.1(17) . . . . ? C34' Ta3 C31 C36 169.9(4) . . . . ? C33 Ta3 C31 C36 -158.47(6) . . . . ? C32' Ta3 C31 C36 -114.4(5) . . . . ? C32 Ta3 C31 C36 -121.8(2) . . . . ? C33' Ta3 C31 C36 -149.5(4) . . . . ? Cl2 Ta3 C31 C36 -50.5(4) . . . . ? Cl6 Ta3 C31 C36 108.7(4) . . . . ? Cl3 Ta3 C31 C36 -136.1(5) . . . . ? Cl5 Ta3 C31 C36 30.1(4) . . . . ? Ta2 Ta3 C31 C36 -6.9(3) . . . . ? Ta1 Ta3 C31 C36 67.9(13) . . . . ? C35 C31 C32 C33 0.0 . . . . ? C36 C31 C32 C33 -177.3 . . . . ? Ta3 C31 C32 C33 63.1(3) . . . . ? C35 C31 C32 C37 172.2(12) . . . . ? C36 C31 C32 C37 -5.1(12) . . . . ? Ta3 C31 C32 C37 -124.7(11) . . . . ? C35 C31 C32 Ta3 -63.1(3) . . . . ? C36 C31 C32 Ta3 119.6(3) . . . . ? Ta3 C31 C32 Ta3 0.000(1) . . . . ? C35' Ta3 C32 C31 46.6(4) . . . . ? C35 Ta3 C32 C31 37.42(9) . . . . ? C34 Ta3 C32 C31 79.4(2) . . . . ? C31' Ta3 C32 C31 6.7(4) . . . . ? C34' Ta3 C32 C31 88.8(4) . . . . ? C31 Ta3 C32 C31 0.0 . . . . ? C33 Ta3 C32 C31 116.8(2) . . . . ? C32' Ta3 C32 C31 -33.1(16) . . . . ? C33' Ta3 C32 C31 125.8(5) . . . . ? Cl2 Ta3 C32 C31 -106.2(4) . . . . ? Cl6 Ta3 C32 C31 80.2(6) . . . . ? Cl3 Ta3 C32 C31 169.9(4) . . . . ? Cl5 Ta3 C32 C31 -30.6(4) . . . . ? Ta2 Ta3 C32 C31 -87.3(3) . . . . ? Ta1 Ta3 C32 C31 177.5(4) . . . . ? C35' Ta3 C32 C33 -70.2(4) . . . . ? C35 Ta3 C32 C33 -79.4(2) . . . . ? C34 Ta3 C32 C33 -37.39(9) . . . . ? C31' Ta3 C32 C33 -110.1(4) . . . . ? C34' Ta3 C32 C33 -28.0(4) . . . . ? C31 Ta3 C32 C33 -116.8(2) . . . . ? C33 Ta3 C32 C33 0.0 . . . . ? C32' Ta3 C32 C33 -149.9(16) . . . . ? C33' Ta3 C32 C33 9.0(5) . . . . ? Cl2 Ta3 C32 C33 137.0(4) . . . . ? Cl6 Ta3 C32 C33 -36.6(6) . . . . ? Cl3 Ta3 C32 C33 53.2(4) . . . . ? Cl5 Ta3 C32 C33 -147.4(4) . . . . ? Ta2 Ta3 C32 C33 155.9(3) . . . . ? Ta1 Ta3 C32 C33 60.7(4) . . . . ? C35' Ta3 C32 C37 169.5(17) . . . . ? C35 Ta3 C32 C37 160.4(17) . . . . ? C34 Ta3 C32 C37 -157.6(17) . . . . ? C31' Ta3 C32 C37 129.6(17) . . . . ? C34' Ta3 C32 C37 -148.2(16) . . . . ? C31 Ta3 C32 C37 123.0(17) . . . . ? C33 Ta3 C32 C37 -120.3(17) . . . . ? C32' Ta3 C32 C37 89.9(23) . . . . ? C33' Ta3 C32 C37 -111.2(17) . . . . ? Cl2 Ta3 C32 C37 16.7(16) . . . . ? Cl6 Ta3 C32 C37 -156.9(15) . . . . ? Cl3 Ta3 C32 C37 -67.1(16) . . . . ? Cl5 Ta3 C32 C37 92.4(16) . . . . ? Ta2 Ta3 C32 C37 35.6(17) . . . . ? Ta1 Ta3 C32 C37 -59.5(18) . . . . ? C31 C32 C33 C34 0.0 . . . . ? C37 C32 C33 C34 -172.4(12) . . . . ? Ta3 C32 C33 C34 63.1(3) . . . . ? C31 C32 C33 C38 170.7(12) . . . . ? C37 C32 C33 C38 -1.7(15) . . . . ? Ta3 C32 C33 C38 -126.2(11) . . . . ? C31 C32 C33 Ta3 -63.1(3) . . . . ? C37 C32 C33 Ta3 124.5(11) . . . . ? Ta3 C32 C33 Ta3 0.0 . . . . ? C35' Ta3 C33 C34 -29.9(4) . . . . ? C35 Ta3 C33 C34 -38.00(12) . . . . ? C34 Ta3 C33 C34 0.0 . . . . ? C31' Ta3 C33 C34 -72.1(4) . . . . ? C34' Ta3 C33 C34 7.8(5) . . . . ? C31 Ta3 C33 C34 -79.5(2) . . . . ? C32' Ta3 C33 C34 -111.0(4) . . . . ? C32 Ta3 C33 C34 -116.14(12) . . . . ? C33' Ta3 C33 C34 -148.4(14) . . . . ? Cl2 Ta3 C33 C34 -160.5(4) . . . . ? Cl6 Ta3 C33 C34 39.7(4) . . . . ? Cl3 Ta3 C33 C34 116.0(4) . . . . ? Cl5 Ta3 C33 C34 -66.4(6) . . . . ? Ta2 Ta3 C33 C34 -167.3(5) . . . . ? Ta1 Ta3 C33 C34 94.3(3) . . . . ? C35' Ta3 C33 C32 86.2(4) . . . . ? C35 Ta3 C33 C32 78.14(13) . . . . ? C34 Ta3 C33 C32 116.14(12) . . . . ? C31' Ta3 C33 C32 44.0(4) . . . . ? C34' Ta3 C33 C32 124.0(4) . . . . ? C31 Ta3 C33 C32 36.66(11) . . . . ? C32' Ta3 C33 C32 5.1(4) . . . . ? C32 Ta3 C33 C32 0.0 . . . . ? C33' Ta3 C33 C32 -32.2(15) . . . . ? Cl2 Ta3 C33 C32 -44.3(4) . . . . ? Cl6 Ta3 C33 C32 155.9(3) . . . . ? Cl3 Ta3 C33 C32 -127.9(4) . . . . ? Cl5 Ta3 C33 C32 49.8(6) . . . . ? Ta2 Ta3 C33 C32 -51.1(4) . . . . ? Ta1 Ta3 C33 C32 -149.5(3) . . . . ? C35' Ta3 C33 C38 -149.8(16) . . . . ? C35 Ta3 C33 C38 -157.8(17) . . . . ? C34 Ta3 C33 C38 -119.8(17) . . . . ? C31' Ta3 C33 C38 168.0(16) . . . . ? C34' Ta3 C33 C38 -112.0(17) . . . . ? C31 Ta3 C33 C38 160.7(17) . . . . ? C32' Ta3 C33 C38 129.1(17) . . . . ? C32 Ta3 C33 C38 124.0(17) . . . . ? C33' Ta3 C33 C38 91.8(21) . . . . ? Cl2 Ta3 C33 C38 79.7(15) . . . . ? Cl6 Ta3 C33 C38 -80.1(16) . . . . ? Cl3 Ta3 C33 C38 -3.9(15) . . . . ? Cl5 Ta3 C33 C38 173.8(14) . . . . ? Ta2 Ta3 C33 C38 72.9(16) . . . . ? Ta1 Ta3 C33 C38 -25.5(17) . . . . ? C32 C33 C34 C35 0.0 . . . . ? C38 C33 C34 C35 -170.9(11) . . . . ? Ta3 C33 C34 C35 65.1(2) . . . . ? C32 C33 C34 C39 172.8(13) . . . . ? C38 C33 C34 C39 1.9(16) . . . . ? Ta3 C33 C34 C39 -122.1(12) . . . . ? C32 C33 C34 Ta3 -65.1(2) . . . . ? C38 C33 C34 Ta3 124.0(11) . . . . ? Ta3 C33 C34 Ta3 0.000(2) . . . . ? C35' Ta3 C34 C33 120.5(4) . . . . ? C35 Ta3 C34 C33 115.14(12) . . . . ? C31' Ta3 C34 C33 84.4(4) . . . . ? C34' Ta3 C34 C33 -24.4(13) . . . . ? C31 Ta3 C34 C33 77.5(2) . . . . ? C33 Ta3 C34 C33 0.0 . . . . ? C32' Ta3 C34 C33 43.8(4) . . . . ? C32 Ta3 C34 C33 36.78(10) . . . . ? C33' Ta3 C34 C33 6.2(4) . . . . ? Cl2 Ta3 C34 C33 28.5(6) . . . . ? Cl6 Ta3 C34 C33 -142.7(4) . . . . ? Cl3 Ta3 C34 C33 -63.7(4) . . . . ? Cl5 Ta3 C34 C33 137.4(4) . . . . ? Ta2 Ta3 C34 C33 153.1(9) . . . . ? Ta1 Ta3 C34 C33 -110.5(3) . . . . ? C35' Ta3 C34 C35 5.3(5) . . . . ? C35 Ta3 C34 C35 0.0 . . . . ? C31' Ta3 C34 C35 -30.7(4) . . . . ? C34' Ta3 C34 C35 -139.6(13) . . . . ? C31 Ta3 C34 C35 -37.59(9) . . . . ? C33 Ta3 C34 C35 -115.14(12) . . . . ? C32' Ta3 C34 C35 -71.4(4) . . . . ? C32 Ta3 C34 C35 -78.35(12) . . . . ? C33' Ta3 C34 C35 -108.9(5) . . . . ? Cl2 Ta3 C34 C35 -86.6(6) . . . . ? Cl6 Ta3 C34 C35 102.1(4) . . . . ? Cl3 Ta3 C34 C35 -178.8(3) . . . . ? Cl5 Ta3 C34 C35 22.3(4) . . . . ? Ta2 Ta3 C34 C35 38.0(9) . . . . ? Ta1 Ta3 C34 C35 134.4(3) . . . . ? C35' Ta3 C34 C39 -112.2(18) . . . . ? C35 Ta3 C34 C39 -117.5(18) . . . . ? C31' Ta3 C34 C39 -148.2(17) . . . . ? C34' Ta3 C34 C39 102.9(21) . . . . ? C31 Ta3 C34 C39 -155.1(18) . . . . ? C33 Ta3 C34 C39 127.4(18) . . . . ? C32' Ta3 C34 C39 171.1(17) . . . . ? C32 Ta3 C34 C39 164.1(18) . . . . ? C33' Ta3 C34 C39 133.6(17) . . . . ? Cl2 Ta3 C34 C39 155.9(16) . . . . ? Cl6 Ta3 C34 C39 -15.4(16) . . . . ? Cl3 Ta3 C34 C39 63.7(17) . . . . ? Cl5 Ta3 C34 C39 -95.2(17) . . . . ? Ta2 Ta3 C34 C39 -79.5(19) . . . . ? Ta1 Ta3 C34 C39 16.9(17) . . . . ? C32 C31 C35 C34 0.0 . . . . ? C36 C31 C35 C34 177.3 . . . . ? Ta3 C31 C35 C34 -65.2(3) . . . . ? C32 C31 C35 C40 -178.1(10) . . . . ? C36 C31 C35 C40 -0.8(10) . . . . ? Ta3 C31 C35 C40 116.7(9) . . . . ? C32 C31 C35 Ta3 65.2(3) . . . . ? C36 C31 C35 Ta3 -117.5(3) . . . . ? Ta3 C31 C35 Ta3 0.0 . . . . ? C33 C34 C35 C31 0.0 . . . . ? C39 C34 C35 C31 -173.4(12) . . . . ? Ta3 C34 C35 C31 66.5(3) . . . . ? C33 C34 C35 C40 178.1(10) . . . . ? C39 C34 C35 C40 4.7(13) . . . . ? Ta3 C34 C35 C40 -115.4(8) . . . . ? C33 C34 C35 Ta3 -66.5(3) . . . . ? C39 C34 C35 Ta3 120.1(11) . . . . ? Ta3 C34 C35 Ta3 0.000(2) . . . . ? C35' Ta3 C35 C31 -133.6(14) . . . . ? C34 Ta3 C35 C31 -115.11(14) . . . . ? C31' Ta3 C35 C31 5.2(5) . . . . ? C34' Ta3 C35 C31 -106.7(5) . . . . ? C31 Ta3 C35 C31 0.0 . . . . ? C33 Ta3 C35 C31 -77.6(2) . . . . ? C32' Ta3 C35 C31 -29.3(4) . . . . ? C32 Ta3 C35 C31 -36.81(9) . . . . ? C33' Ta3 C35 C31 -69.1(5) . . . . ? Cl2 Ta3 C35 C31 9.2(5) . . . . ? Cl6 Ta3 C35 C31 169.1(4) . . . . ? Cl3 Ta3 C35 C31 -113.5(5) . . . . ? Cl5 Ta3 C35 C31 84.4(4) . . . . ? Ta2 Ta3 C35 C31 75.1(3) . . . . ? Ta1 Ta3 C35 C31 171.2(3) . . . . ? C35' Ta3 C35 C34 -18.5(14) . . . . ? C34 Ta3 C35 C34 0.0 . . . . ? C31' Ta3 C35 C34 120.3(5) . . . . ? C34' Ta3 C35 C34 8.4(4) . . . . ? C31 Ta3 C35 C34 115.11(14) . . . . ? C33 Ta3 C35 C34 37.56(9) . . . . ? C32' Ta3 C35 C34 85.8(4) . . . . ? C32 Ta3 C35 C34 78.30(14) . . . . ? C33' Ta3 C35 C34 46.0(4) . . . . ? Cl2 Ta3 C35 C34 124.3(5) . . . . ? Cl6 Ta3 C35 C34 -75.8(4) . . . . ? Cl3 Ta3 C35 C34 1.6(5) . . . . ? Cl5 Ta3 C35 C34 -160.5(4) . . . . ? Ta2 Ta3 C35 C34 -169.8(3) . . . . ? Ta1 Ta3 C35 C34 -73.6(3) . . . . ? C35' Ta3 C35 C40 103.3(21) . . . . ? C34 Ta3 C35 C40 121.8(15) . . . . ? C31' Ta3 C35 C40 -117.8(14) . . . . ? C34' Ta3 C35 C40 130.2(14) . . . . ? C31 Ta3 C35 C40 -123.0(15) . . . . ? C33 Ta3 C35 C40 159.4(15) . . . . ? C32' Ta3 C35 C40 -152.3(14) . . . . ? C32 Ta3 C35 C40 -159.9(15) . . . . ? C33' Ta3 C35 C40 167.9(14) . . . . ? Cl2 Ta3 C35 C40 -113.9(13) . . . . ? Cl6 Ta3 C35 C40 46.0(13) . . . . ? Cl3 Ta3 C35 C40 123.4(13) . . . . ? Cl5 Ta3 C35 C40 -38.6(13) . . . . ? Ta2 Ta3 C35 C40 -47.9(14) . . . . ? Ta1 Ta3 C35 C40 48.2(14) . . . . ? C31 C35 C40 C4A 74.6(26) . . . . ? C34 C35 C40 C4A -103.2(24) . . . . ? Ta3 C35 C40 C4A 167.1(21) . . . . ? C35' Ta3 C31' C35' 0.0 . . . . ? C35 Ta3 C31' C35' -9.0(5) . . . . ? C34 Ta3 C31' C35' 28.4(4) . . . . ? C34' Ta3 C31' C35' 38.07(11) . . . . ? C31 Ta3 C31' C35' 143.6(18) . . . . ? C33 Ta3 C31' C35' 70.0(5) . . . . ? C32' Ta3 C31' C35' 115.46(12) . . . . ? C32 Ta3 C31' C35' 108.0(5) . . . . ? C33' Ta3 C31' C35' 79.0(2) . . . . ? Cl2 Ta3 C31' C35' 174.3(4) . . . . ? Cl6 Ta3 C31' C35' -27.4(4) . . . . ? Cl3 Ta3 C31' C35' 82.4(6) . . . . ? Cl5 Ta3 C31' C35' -106.3(4) . . . . ? Ta2 Ta3 C31' C35' -138.9(3) . . . . ? Ta1 Ta3 C31' C35' -52.5(7) . . . . ? C35' Ta3 C31' C32' -115.46(12) . . . . ? C35 Ta3 C31' C32' -124.4(5) . . . . ? C34 Ta3 C31' C32' -87.0(4) . . . . ? C34' Ta3 C31' C32' -77.4(2) . . . . ? C31 Ta3 C31' C32' 28.1(18) . . . . ? C33 Ta3 C31' C32' -45.5(4) . . . . ? C32' Ta3 C31' C32' 0.0 . . . . ? C32 Ta3 C31' C32' -7.4(4) . . . . ? C33' Ta3 C31' C32' -36.41(11) . . . . ? Cl2 Ta3 C31' C32' 58.8(4) . . . . ? Cl6 Ta3 C31' C32' -142.9(4) . . . . ? Cl3 Ta3 C31' C32' -33.1(6) . . . . ? Cl5 Ta3 C31' C32' 138.3(4) . . . . ? Ta2 Ta3 C31' C32' 105.7(3) . . . . ? Ta1 Ta3 C31' C32' -168.0(7) . . . . ? C35' Ta3 C31' C36' 126.5(2) . . . . ? C35 Ta3 C31' C36' 117.5(5) . . . . ? C34 Ta3 C31' C36' 154.9(4) . . . . ? C34' Ta3 C31' C36' 164.59(9) . . . . ? C31 Ta3 C31' C36' -89.9(18) . . . . ? C33 Ta3 C31' C36' -163.5(5) . . . . ? C32' Ta3 C31' C36' -118.0(2) . . . . ? C32 Ta3 C31' C36' -125.4(5) . . . . ? C33' Ta3 C31' C36' -154.43(11) . . . . ? Cl2 Ta3 C31' C36' -59.2(4) . . . . ? Cl6 Ta3 C31' C36' 99.1(4) . . . . ? Cl3 Ta3 C31' C36' -151.1(5) . . . . ? Cl5 Ta3 C31' C36' 20.3(4) . . . . ? Ta2 Ta3 C31' C36' -12.4(3) . . . . ? Ta1 Ta3 C31' C36' 74.0(8) . . . . ? C35' C31' C32' C33' 0.0 . . . . ? C36' C31' C32' C33' -169.9 . . . . ? Ta3 C31' C32' C33' 63.8(3) . . . . ? C35' C31' C32' C37' 173.3(12) . . . . ? C36' C31' C32' C37' 3.4(12) . . . . ? Ta3 C31' C32' C37' -122.9(11) . . . . ? C35' C31' C32' Ta3 -63.8(3) . . . . ? C36' C31' C32' Ta3 126.3(3) . . . . ? Ta3 C31' C32' Ta3 0.000(1) . . . . ? C35' Ta3 C32' C33' -78.8(2) . . . . ? C35 Ta3 C32' C33' -87.8(4) . . . . ? C34 Ta3 C32' C33' -46.4(4) . . . . ? C31' Ta3 C32' C33' -116.8(2) . . . . ? C34' Ta3 C32' C33' -36.84(9) . . . . ? C31 Ta3 C32' C33' -123.1(4) . . . . ? C33 Ta3 C32' C33' -8.5(4) . . . . ? C32 Ta3 C32' C33' 17.5(16) . . . . ? C33' Ta3 C32' C33' 0.0 . . . . ? Cl2 Ta3 C32' C33' 123.2(4) . . . . ? Cl6 Ta3 C32' C33' -56.9(6) . . . . ? Cl3 Ta3 C32' C33' 41.3(3) . . . . ? Cl5 Ta3 C32' C33' -160.1(4) . . . . ? Ta2 Ta3 C32' C33' 146.9(3) . . . . ? Ta1 Ta3 C32' C33' 56.2(4) . . . . ? C35' Ta3 C32' C31' 37.98(10) . . . . ? C35 Ta3 C32' C31' 29.0(4) . . . . ? C34 Ta3 C32' C31' 70.4(4) . . . . ? C31' Ta3 C32' C31' 0.0 . . . . ? C34' Ta3 C32' C31' 80.0(2) . . . . ? C31 Ta3 C32' C31' -6.3(4) . . . . ? C33 Ta3 C32' C31' 108.3(5) . . . . ? C32 Ta3 C32' C31' 134.3(16) . . . . ? C33' Ta3 C32' C31' 116.8(2) . . . . ? Cl2 Ta3 C32' C31' -120.0(4) . . . . ? Cl6 Ta3 C32' C31' 59.9(6) . . . . ? Cl3 Ta3 C32' C31' 158.1(3) . . . . ? Cl5 Ta3 C32' C31' -43.3(4) . . . . ? Ta2 Ta3 C32' C31' -96.3(3) . . . . ? Ta1 Ta3 C32' C31' 173.0(4) . . . . ? C35' Ta3 C32' C37' 158.9(17) . . . . ? C35 Ta3 C32' C37' 149.9(16) . . . . ? C34 Ta3 C32' C37' -168.6(16) . . . . ? C31' Ta3 C32' C37' 120.9(17) . . . . ? C34' Ta3 C32' C37' -159.1(17) . . . . ? C31 Ta3 C32' C37' 114.7(17) . . . . ? C33 Ta3 C32' C37' -130.8(17) . . . . ? C32 Ta3 C32' C37' -104.7(24) . . . . ? C33' Ta3 C32' C37' -122.2(17) . . . . ? Cl2 Ta3 C32' C37' 1.0(15) . . . . ? Cl6 Ta3 C32' C37' -179.2(15) . . . . ? Cl3 Ta3 C32' C37' -81.0(16) . . . . ? Cl5 Ta3 C32' C37' 77.6(16) . . . . ? Ta2 Ta3 C32' C37' 24.7(16) . . . . ? Ta1 Ta3 C32' C37' -66.1(18) . . . . ? C31' C32' C33' C34' 0.0 . . . . ? C37' C32' C33' C34' -173.3(12) . . . . ? Ta3 C32' C33' C34' 62.2(3) . . . . ? C31' C32' C33' C38' 174.7(11) . . . . ? C37' C32' C33' C38' 1.4(14) . . . . ? Ta3 C32' C33' C38' -123.1(10) . . . . ? C31' C32' C33' Ta3 -62.2(3) . . . . ? C37' C32' C33' Ta3 124.5(11) . . . . ? Ta3 C32' C33' Ta3 0.0 . . . . ? C35' Ta3 C33' C32' 78.89(14) . . . . ? C35 Ta3 C33' C32' 70.5(4) . . . . ? C34 Ta3 C33' C32' 109.1(4) . . . . ? C31' Ta3 C33' C32' 36.87(11) . . . . ? C34' Ta3 C33' C32' 116.85(12) . . . . ? C31 Ta3 C33' C32' 29.7(4) . . . . ? C33 Ta3 C33' C32' 135.8(13) . . . . ? C32' Ta3 C33' C32' 0.0 . . . . ? C32 Ta3 C33' C32' -4.2(4) . . . . ? Cl2 Ta3 C33' C32' -56.0(3) . . . . ? Cl6 Ta3 C33' C32' 144.4(4) . . . . ? Cl3 Ta3 C33' C32' -141.0(4) . . . . ? Cl5 Ta3 C33' C32' 29.0(6) . . . . ? Ta2 Ta3 C33' C32' -58.9(3) . . . . ? Ta1 Ta3 C33' C32' -155.7(3) . . . . ? C35' Ta3 C33' C34' -37.96(12) . . . . ? C35 Ta3 C33' C34' -46.3(4) . . . . ? C34 Ta3 C33' C34' -7.8(4) . . . . ? C31' Ta3 C33' C34' -80.0(2) . . . . ? C34' Ta3 C33' C34' 0.0 . . . . ? C31 Ta3 C33' C34' -87.1(4) . . . . ? C33 Ta3 C33' C34' 19.0(13) . . . . ? C32' Ta3 C33' C34' -116.85(13) . . . . ? C32 Ta3 C33' C34' -121.1(4) . . . . ? Cl2 Ta3 C33' C34' -172.8(3) . . . . ? Cl6 Ta3 C33' C34' 27.6(4) . . . . ? Cl3 Ta3 C33' C34' 102.2(4) . . . . ? Cl5 Ta3 C33' C34' -87.8(6) . . . . ? Ta2 Ta3 C33' C34' -175.8(3) . . . . ? Ta1 Ta3 C33' C34' 87.5(3) . . . . ? C35' Ta3 C33' C38' -164.3(16) . . . . ? C35 Ta3 C33' C38' -172.7(15) . . . . ? C34 Ta3 C33' C38' -134.2(16) . . . . ? C31' Ta3 C33' C38' 153.7(16) . . . . ? C34' Ta3 C33' C38' -126.4(17) . . . . ? C31 Ta3 C33' C38' 146.5(15) . . . . ? C33 Ta3 C33' C38' -107.4(22) . . . . ? C32' Ta3 C33' C38' 116.8(16) . . . . ? C32 Ta3 C33' C38' 112.6(16) . . . . ? Cl2 Ta3 C33' C38' 60.8(15) . . . . ? Cl6 Ta3 C33' C38' -98.8(15) . . . . ? Cl3 Ta3 C33' C38' -24.2(15) . . . . ? Cl5 Ta3 C33' C38' 145.8(14) . . . . ? Ta2 Ta3 C33' C38' 57.9(16) . . . . ? Ta1 Ta3 C33' C38' -38.9(16) . . . . ? C32' C33' C34' C35' 0.0 . . . . ? C38' C33' C34' C35' -174.1(12) . . . . ? Ta3 C33' C34' C35' 63.8(2) . . . . ? C32' C33' C34' C39' 174.7(12) . . . . ? C38' C33' C34' C39' 0.6(16) . . . . ? Ta3 C33' C34' C39' -121.6(11) . . . . ? C32' C33' C34' Ta3 -63.8(2) . . . . ? C38' C33' C34' Ta3 122.2(11) . . . . ? Ta3 C33' C34' Ta3 0.000(2) . . . . ? C35' Ta3 C34' C35' 0.0 . . . . ? C35 Ta3 C34' C35' -6.2(4) . . . . ? C34 Ta3 C34' C35' 27.7(12) . . . . ? C31' Ta3 C34' C35' -38.08(10) . . . . ? C31 Ta3 C34' C35' -45.2(4) . . . . ? C33 Ta3 C34' C35' -121.1(5) . . . . ? C32' Ta3 C34' C35' -79.09(12) . . . . ? C32 Ta3 C34' C35' -85.7(4) . . . . ? C33' Ta3 C34' C35' -115.50(13) . . . . ? Cl2 Ta3 C34' C35' -105.9(5) . . . . ? Cl6 Ta3 C34' C35' 88.7(4) . . . . ? Cl3 Ta3 C34' C35' 168.8(3) . . . . ? Cl5 Ta3 C34' C35' 7.8(5) . . . . ? Ta2 Ta3 C34' C35' 18.6(36) . . . . ? Ta1 Ta3 C34' C35' 127.0(3) . . . . ? C35' Ta3 C34' C33' 115.50(13) . . . . ? C35 Ta3 C34' C33' 109.3(4) . . . . ? C34 Ta3 C34' C33' 143.2(12) . . . . ? C31' Ta3 C34' C33' 77.4(2) . . . . ? C31 Ta3 C34' C33' 70.2(4) . . . . ? C33 Ta3 C34' C33' -5.6(5) . . . . ? C32' Ta3 C34' C33' 36.40(10) . . . . ? C32 Ta3 C34' C33' 29.8(4) . . . . ? C33' Ta3 C34' C33' 0.0 . . . . ? Cl2 Ta3 C34' C33' 9.6(5) . . . . ? Cl6 Ta3 C34' C33' -155.8(4) . . . . ? Cl3 Ta3 C34' C33' -75.7(4) . . . . ? Cl5 Ta3 C34' C33' 123.3(5) . . . . ? Ta2 Ta3 C34' C33' 134.1(36) . . . . ? Ta1 Ta3 C34' C33' -117.5(3) . . . . ? C35' Ta3 C34' C39' -121.2(18) . . . . ? C35 Ta3 C34' C39' -127.4(18) . . . . ? C34 Ta3 C34' C39' -93.5(22) . . . . ? C31' Ta3 C34' C39' -159.3(18) . . . . ? C31 Ta3 C34' C39' -166.5(18) . . . . ? C33 Ta3 C34' C39' 117.7(18) . . . . ? C32' Ta3 C34' C39' 159.7(18) . . . . ? C32 Ta3 C34' C39' 153.1(18) . . . . ? C33' Ta3 C34' C39' 123.3(18) . . . . ? Cl2 Ta3 C34' C39' 132.9(16) . . . . ? Cl6 Ta3 C34' C39' -32.5(17) . . . . ? Cl3 Ta3 C34' C39' 47.6(17) . . . . ? Cl5 Ta3 C34' C39' -113.4(17) . . . . ? Ta2 Ta3 C34' C39' -102.6(35) . . . . ? Ta1 Ta3 C34' C39' 5.7(18) . . . . ? C33' C34' C35' C31' 0.0 . . . . ? C39' C34' C35' C31' -174.6(12) . . . . ? Ta3 C34' C35' C31' 66.5(3) . . . . ? C33' C34' C35' C40' 174.5(11) . . . . ? C39' C34' C35' C40' -0.2(14) . . . . ? Ta3 C34' C35' C40' -119.0(9) . . . . ? C33' C34' C35' Ta3 -66.5(3) . . . . ? C39' C34' C35' Ta3 118.8(11) . . . . ? Ta3 C34' C35' Ta3 0.000(2) . . . . ? C32' C31' C35' C34' 0.0 . . . . ? C36' C31' C35' C34' 168.6 . . . . ? Ta3 C31' C35' C34' -66.6(3) . . . . ? C32' C31' C35' C40' -175.1(10) . . . . ? C36' C31' C35' C40' -6.5(10) . . . . ? Ta3 C31' C35' C40' 118.3(9) . . . . ? C32' C31' C35' Ta3 66.6(3) . . . . ? C36' C31' C35' Ta3 -124.8(3) . . . . ? Ta3 C31' C35' Ta3 0.0 . . . . ? C35 Ta3 C35' C34' 148.3(15) . . . . ? C34 Ta3 C35' C34' -8.6(5) . . . . ? C31' Ta3 C35' C34' 114.74(14) . . . . ? C34' Ta3 C35' C34' 0.0 . . . . ? C31 Ta3 C35' C34' 108.9(5) . . . . ? C33 Ta3 C35' C34' 28.9(4) . . . . ? C32' Ta3 C35' C34' 77.60(14) . . . . ? C32 Ta3 C35' C34' 70.0(5) . . . . ? C33' Ta3 C35' C34' 37.12(9) . . . . ? Cl2 Ta3 C35' C34' 107.1(5) . . . . ? Cl6 Ta3 C35' C34' -89.2(4) . . . . ? Cl3 Ta3 C35' C34' -13.7(4) . . . . ? Cl5 Ta3 C35' C34' -173.8(4) . . . . ? Ta2 Ta3 C35' C34' -178.4(4) . . . . ? Ta1 Ta3 C35' C34' -79.9(3) . . . . ? C35 Ta3 C35' C31' 33.6(15) . . . . ? C34 Ta3 C35' C31' -123.4(5) . . . . ? C31' Ta3 C35' C31' 0.0 . . . . ? C34' Ta3 C35' C31' -114.74(14) . . . . ? C31 Ta3 C35' C31' -5.9(4) . . . . ? C33 Ta3 C35' C31' -85.8(4) . . . . ? C32' Ta3 C35' C31' -37.15(9) . . . . ? C32 Ta3 C35' C31' -44.8(4) . . . . ? C33' Ta3 C35' C31' -77.6(2) . . . . ? Cl2 Ta3 C35' C31' -7.6(5) . . . . ? Cl6 Ta3 C35' C31' 156.1(4) . . . . ? Cl3 Ta3 C35' C31' -128.4(4) . . . . ? Cl5 Ta3 C35' C31' 71.5(4) . . . . ? Ta2 Ta3 C35' C31' 66.9(4) . . . . ? Ta1 Ta3 C35' C31' 165.4(3) . . . . ? C35 Ta3 C35' C40' -83.4(20) . . . . ? C34 Ta3 C35' C40' 119.7(14) . . . . ? C31' Ta3 C35' C40' -116.9(15) . . . . ? C34' Ta3 C35' C40' 128.3(15) . . . . ? C31 Ta3 C35' C40' -122.8(14) . . . . ? C33 Ta3 C35' C40' 157.3(14) . . . . ? C32' Ta3 C35' C40' -154.1(15) . . . . ? C32 Ta3 C35' C40' -161.7(14) . . . . ? C33' Ta3 C35' C40' 165.4(15) . . . . ? Cl2 Ta3 C35' C40' -124.5(13) . . . . ? Cl6 Ta3 C35' C40' 39.2(13) . . . . ? Cl3 Ta3 C35' C40' 114.7(13) . . . . ? Cl5 Ta3 C35' C40' -45.4(13) . . . . ? Ta2 Ta3 C35' C40' -50.0(14) . . . . ? Ta1 Ta3 C35' C40' 48.5(14) . . . . ? C34' C35' C40' C4A' -102.4(29) . . . . ? C31' C35' C40' C4A' 71.5(30) . . . . ? Ta3 C35' C40' C4A' 161.3(24) . . . . ? C42 Ta4 C41 C45 114.7(8) . . . . ? C43 Ta4 C41 C45 76.0(6) . . . . ? Cl8 Ta4 C41 C45 19.5(8) . . . . ? Cl9 Ta4 C41 C45 -147.6(6) . . . . ? Cl10 Ta4 C41 C45 -65.8(6) . . . . ? Cl7 Ta4 C41 C45 135.3(5) . . . . ? C44 Ta4 C41 C45 34.3(6) . . . . ? C45 Ta4 C41 C45 0.000(2) . . . . ? C42 Ta4 C41 C42 0.000(4) . . . . ? C43 Ta4 C41 C42 -38.7(6) . . . . ? Cl8 Ta4 C41 C42 -95.2(6) . . . . ? Cl9 Ta4 C41 C42 97.7(6) . . . . ? Cl10 Ta4 C41 C42 179.5(5) . . . . ? Cl7 Ta4 C41 C42 20.6(7) . . . . ? C44 Ta4 C41 C42 -80.4(7) . . . . ? C45 Ta4 C41 C42 -114.7(8) . . . . ? C42 Ta4 C41 C46 -122.8(12) . . . . ? C43 Ta4 C41 C46 -161.6(11) . . . . ? Cl8 Ta4 C41 C46 142.0(8) . . . . ? Cl9 Ta4 C41 C46 -25.1(9) . . . . ? Cl10 Ta4 C41 C46 56.6(9) . . . . ? Cl7 Ta4 C41 C46 -102.3(9) . . . . ? C44 Ta4 C41 C46 156.8(11) . . . . ? C45 Ta4 C41 C46 122.5(12) . . . . ? C45 C41 C42 C43 -2.5(11) . . . . ? C46 C41 C42 C43 -173.8(10) . . . . ? Ta4 C41 C42 C43 65.6(7) . . . . ? C45 C41 C42 C47 174.7(10) . . . . ? C46 C41 C42 C47 3.4(17) . . . . ? Ta4 C41 C42 C47 -117.2(11) . . . . ? C45 C41 C42 Ta4 -68.1(7) . . . . ? C46 C41 C42 Ta4 120.6(10) . . . . ? Ta4 C41 C42 Ta4 0.000(2) . . . . ? C43 Ta4 C42 C41 113.9(8) . . . . ? C41 Ta4 C42 C41 0.000(4) . . . . ? Cl8 Ta4 C42 C41 119.3(5) . . . . ? Cl9 Ta4 C42 C41 -80.2(5) . . . . ? Cl10 Ta4 C42 C41 -0.7(7) . . . . ? Cl7 Ta4 C42 C41 -162.6(6) . . . . ? C44 Ta4 C42 C41 76.4(6) . . . . ? C45 Ta4 C42 C41 37.2(5) . . . . ? C43 Ta4 C42 C43 0.0 . . . . ? C41 Ta4 C42 C43 -113.9(8) . . . . ? Cl8 Ta4 C42 C43 5.4(7) . . . . ? Cl9 Ta4 C42 C43 165.9(6) . . . . ? Cl10 Ta4 C42 C43 -114.6(6) . . . . ? Cl7 Ta4 C42 C43 83.5(6) . . . . ? C44 Ta4 C42 C43 -37.6(6) . . . . ? C45 Ta4 C42 C43 -76.8(6) . . . . ? C43 Ta4 C42 C47 -121.7(12) . . . . ? C41 Ta4 C42 C47 124.4(12) . . . . ? Cl8 Ta4 C42 C47 -116.3(8) . . . . ? Cl9 Ta4 C42 C47 44.2(9) . . . . ? Cl10 Ta4 C42 C47 123.7(8) . . . . ? Cl7 Ta4 C42 C47 -38.2(9) . . . . ? C44 Ta4 C42 C47 -159.2(10) . . . . ? C45 Ta4 C42 C47 161.6(10) . . . . ? C41 C42 C43 C44 1.6(11) . . . . ? C47 C42 C43 C44 -175.7(10) . . . . ? Ta4 C42 C43 C44 67.7(7) . . . . ? C41 C42 C43 C48 174.3(10) . . . . ? C47 C42 C43 C48 -3.0(17) . . . . ? Ta4 C42 C43 C48 -119.5(10) . . . . ? C41 C42 C43 Ta4 -66.2(7) . . . . ? C47 C42 C43 Ta4 116.5(10) . . . . ? Ta4 C42 C43 Ta4 0.0 . . . . ? C42 Ta4 C43 C42 0.000(1) . . . . ? C41 Ta4 C43 C42 38.5(6) . . . . ? Cl8 Ta4 C43 C42 -175.9(6) . . . . ? Cl9 Ta4 C43 C42 -17.1(7) . . . . ? Cl10 Ta4 C43 C42 99.7(6) . . . . ? Cl7 Ta4 C43 C42 -94.2(6) . . . . ? C44 Ta4 C43 C42 115.0(9) . . . . ? C45 Ta4 C43 C42 79.0(6) . . . . ? C42 Ta4 C43 C44 -115.0(9) . . . . ? C41 Ta4 C43 C44 -76.6(6) . . . . ? Cl8 Ta4 C43 C44 69.1(6) . . . . ? Cl9 Ta4 C43 C44 -132.1(5) . . . . ? Cl10 Ta4 C43 C44 -15.4(8) . . . . ? Cl7 Ta4 C43 C44 150.7(6) . . . . ? C44 Ta4 C43 C44 0.000(3) . . . . ? C45 Ta4 C43 C44 -36.0(6) . . . . ? C42 Ta4 C43 C48 123.0(13) . . . . ? C41 Ta4 C43 C48 161.4(12) . . . . ? Cl8 Ta4 C43 C48 -52.9(10) . . . . ? Cl9 Ta4 C43 C48 105.9(10) . . . . ? Cl10 Ta4 C43 C48 -137.3(9) . . . . ? Cl7 Ta4 C43 C48 28.8(10) . . . . ? C44 Ta4 C43 C48 -122.0(13) . . . . ? C45 Ta4 C43 C48 -158.0(12) . . . . ? C42 C43 C44 C45 0.0(12) . . . . ? C48 C43 C44 C45 -173.0(10) . . . . ? Ta4 C43 C44 C45 65.0(8) . . . . ? C42 C43 C44 C49 173.4(11) . . . . ? C48 C43 C44 C49 0.4(17) . . . . ? Ta4 C43 C44 C49 -121.6(11) . . . . ? C42 C43 C44 Ta4 -65.0(7) . . . . ? C48 C43 C44 Ta4 122.0(10) . . . . ? Ta4 C43 C44 Ta4 0.000(2) . . . . ? C42 Ta4 C44 C45 -77.5(7) . . . . ? C43 Ta4 C44 C45 -115.8(9) . . . . ? C41 Ta4 C44 C45 -35.4(6) . . . . ? Cl8 Ta4 C44 C45 134.5(6) . . . . ? Cl9 Ta4 C44 C45 -38.4(9) . . . . ? Cl10 Ta4 C44 C45 53.3(6) . . . . ? Cl7 Ta4 C44 C45 -148.2(6) . . . . ? C45 Ta4 C44 C45 0.000(2) . . . . ? C42 Ta4 C44 C43 38.3(6) . . . . ? C43 Ta4 C44 C43 0.000(3) . . . . ? C41 Ta4 C44 C43 80.4(7) . . . . ? Cl8 Ta4 C44 C43 -109.7(6) . . . . ? Cl9 Ta4 C44 C43 77.4(7) . . . . ? Cl10 Ta4 C44 C43 169.1(6) . . . . ? Cl7 Ta4 C44 C43 -32.5(7) . . . . ? C45 Ta4 C44 C43 115.8(9) . . . . ? C42 Ta4 C44 C49 157.0(12) . . . . ? C43 Ta4 C44 C49 118.7(13) . . . . ? C41 Ta4 C44 C49 -160.9(12) . . . . ? Cl8 Ta4 C44 C49 9.0(10) . . . . ? Cl9 Ta4 C44 C49 -163.9(8) . . . . ? Cl10 Ta4 C44 C49 -72.2(10) . . . . ? Cl7 Ta4 C44 C49 86.3(10) . . . . ? C45 Ta4 C44 C49 -125.5(13) . . . . ? C43 C44 C45 C41 -1.6(12) . . . . ? C49 C44 C45 C41 -174.8(11) . . . . ? Ta4 C44 C45 C41 60.1(7) . . . . ? C43 C44 C45 C50 175.1(9) . . . . ? C49 C44 C45 C50 1.9(18) . . . . ? Ta4 C44 C45 C50 -123.2(10) . . . . ? C43 C44 C45 Ta4 -61.7(7) . . . . ? C49 C44 C45 Ta4 125.1(12) . . . . ? Ta4 C44 C45 Ta4 0.000(1) . . . . ? C42 C41 C45 C44 2.6(12) . . . . ? C46 C41 C45 C44 174.2(9) . . . . ? Ta4 C41 C45 C44 -62.0(8) . . . . ? C42 C41 C45 C50 -174.0(9) . . . . ? C46 C41 C45 C50 -2.4(16) . . . . ? Ta4 C41 C45 C50 121.4(10) . . . . ? C42 C41 C45 Ta4 64.7(7) . . . . ? C46 C41 C45 Ta4 -123.8(10) . . . . ? Ta4 C41 C45 Ta4 0.0 . . . . ? C42 Ta4 C45 C44 81.0(7) . . . . ? C43 Ta4 C45 C44 38.2(6) . . . . ? C41 Ta4 C45 C44 119.7(9) . . . . ? Cl8 Ta4 C45 C44 -46.9(7) . . . . ? Cl9 Ta4 C45 C44 154.9(6) . . . . ? Cl10 Ta4 C45 C44 -127.3(6) . . . . ? Cl7 Ta4 C45 C44 48.8(8) . . . . ? C44 Ta4 C45 C44 0.000(2) . . . . ? C42 Ta4 C45 C41 -38.7(6) . . . . ? C43 Ta4 C45 C41 -81.5(7) . . . . ? C41 Ta4 C45 C41 0.000(2) . . . . ? Cl8 Ta4 C45 C41 -166.5(5) . . . . ? Cl9 Ta4 C45 C41 35.2(6) . . . . ? Cl10 Ta4 C45 C41 113.1(6) . . . . ? Cl7 Ta4 C45 C41 -70.9(7) . . . . ? C44 Ta4 C45 C41 -119.7(9) . . . . ? C42 Ta4 C45 C50 -159.5(10) . . . . ? C43 Ta4 C45 C50 157.8(11) . . . . ? C41 Ta4 C45 C50 -120.8(12) . . . . ? Cl8 Ta4 C45 C50 72.7(9) . . . . ? Cl9 Ta4 C45 C50 -85.6(9) . . . . ? Cl10 Ta4 C45 C50 -7.7(9) . . . . ? Cl7 Ta4 C45 C50 168.4(7) . . . . ? C44 Ta4 C45 C50 119.5(12) . . . . ? C44 C45 C50 C5A -82.2(14) . . . . ? C41 C45 C50 C5A 93.9(14) . . . . ? Ta4 C45 C50 C5A -175.4(8) . . . . ? _refine_diff_density_max 1.147 _refine_diff_density_min -0.757 _refine_diff_density_rms 0.112 #====END # End of Crystallographic Information File