#------------------------------------------------------------------------------ #$Date: 2008-02-08 10:23:56 +0000 (Fri, 08 Feb 2008) $ #$Revision: 101 $ #$URL: svn://www.crystallography.net/cod/cif/2/2203389.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2203389 loop_ _publ_author_name 'Lihua Liu' 'Qian-Feng Zhang' 'Wa-Hung Leung' _publ_section_title ; Tri-\m-chloro-bis[(\h^5^-pentamethylcyclopentadienyl)rhodium(III)] tetrafluoroborate ; _journal_issue 4 _journal_name_full 'Acta Crystallographica, Section E' _journal_page_first m509 _journal_page_last m510 _journal_volume 60 _journal_year 2004 _chemical_formula_iupac '[Rh2 Cl3 (C10 H15)2] B F4' _chemical_formula_moiety 'C20 H30 Cl3 Rh2 +, B F4 -' _chemical_formula_sum 'C20 H30 B Cl3 F4 Rh2' _chemical_formula_weight 669.42 _chemical_name_systematic ; ; _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 67.534(3) _cell_angle_beta 82.032(3) _cell_angle_gamma 89.421(4) _cell_formula_units_Z 2 _cell_length_a 8.1768(16) _cell_length_b 11.858(2) _cell_length_c 14.007(3) _cell_measurement_reflns_used 1788 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 27.87 _cell_measurement_theta_min 2.52 _cell_volume 1241.6(4) _computing_cell_refinement SMART _computing_data_collection 'SMART (Bruker, 1998)' _computing_data_reduction 'SAINT (Bruker, 1998)' _computing_molecular_graphics SHELXTL _computing_publication_material SHELXTL _computing_structure_refinement SHELXTL _computing_structure_solution 'SHELXTL (Sheldrick, 1997b)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.894 _diffrn_measured_fraction_theta_max 0.894 _diffrn_measurement_device_type 'Bruker SMART CCD area-detector' _diffrn_measurement_method '\f and \w' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0379 _diffrn_reflns_av_sigmaI/netI 0.1075 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 7407 _diffrn_reflns_theta_full 28.33 _diffrn_reflns_theta_max 28.33 _diffrn_reflns_theta_min 1.59 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.687 _exptl_absorpt_correction_T_max 0.629 _exptl_absorpt_correction_T_min 0.542 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS; Sheldrick, 1997a)' _exptl_crystal_colour Orange _exptl_crystal_density_diffrn 1.791 _exptl_crystal_density_method 'not measured' _exptl_crystal_description Block _exptl_crystal_F_000 664 _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.28 _refine_diff_density_max 0.919 _refine_diff_density_min -0.973 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.961 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 271 _refine_ls_number_reflns 5533 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.961 _refine_ls_R_factor_all 0.0732 _refine_ls_R_factor_gt 0.0422 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)]' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0752 _refine_ls_wR_factor_ref 0.0840 _reflns_number_gt 3807 _reflns_number_total 5533 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file cf6332.cif loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 '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' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_type_symbol Rh1 0.20814(5) 0.14363(4) 0.23180(3) 0.01512(11) Uani d . 1 Rh Rh2 0.37519(5) -0.10983(4) 0.25781(3) 0.01539(11) Uani d . 1 Rh Cl1 0.13945(15) -0.01536(12) 0.17194(10) 0.0209(3) Uani d . 1 Cl Cl2 0.25000(18) -0.03223(13) 0.38781(10) 0.0297(3) Uani d . 1 Cl Cl3 0.49262(14) 0.10214(12) 0.17235(10) 0.0194(3) Uani d . 1 Cl C1 0.1998(6) 0.3305(4) 0.1333(4) 0.0160(11) Uani d . 1 C C2 0.2495(6) 0.3193(5) 0.2321(4) 0.0196(12) Uani d . 1 C C3 0.1159(6) 0.2562(5) 0.3130(4) 0.0166(11) Uani d . 1 C C4 -0.0118(6) 0.2260(5) 0.2654(4) 0.0175(11) Uani d . 1 C C5 0.0391(6) 0.2752(4) 0.1542(4) 0.0170(11) Uani d . 1 C C6 0.3012(7) 0.3934(5) 0.0296(4) 0.0264(13) Uani d . 1 C H6A 0.2735 0.4775 0.0011 0.040 Uiso calc R 1 H H6B 0.2796 0.3545 -0.0165 0.040 Uiso calc R 1 H H6C 0.4163 0.3888 0.0373 0.040 Uiso calc R 1 H C7 0.4081(6) 0.3690(5) 0.2454(4) 0.0279(14) Uani d . 1 C H7A 0.3942 0.4505 0.2428 0.042 Uiso calc R 1 H H7B 0.4931 0.3702 0.1903 0.042 Uiso calc R 1 H H7C 0.4391 0.3181 0.3116 0.042 Uiso calc R 1 H C8 0.1134(7) 0.2275(5) 0.4263(4) 0.0247(13) Uani d . 1 C H8A 0.0656 0.2929 0.4433 0.037 Uiso calc R 1 H H8B 0.2244 0.2179 0.4424 0.037 Uiso calc R 1 H H8C 0.0488 0.1531 0.4663 0.037 Uiso calc R 1 H C9 -0.1764(6) 0.1630(5) 0.3220(4) 0.0234(13) Uani d . 1 C H9A -0.2541 0.2229 0.3258 0.035 Uiso calc R 1 H H9B -0.1638 0.1079 0.3913 0.035 Uiso calc R 1 H H9C -0.2161 0.1180 0.2849 0.035 Uiso calc R 1 H C10 -0.0619(7) 0.2672(5) 0.0766(4) 0.0255(13) Uani d . 1 C H10A -0.1277 0.3376 0.0546 0.038 Uiso calc R 1 H H10B -0.1329 0.1946 0.1077 0.038 Uiso calc R 1 H H10C 0.0097 0.2643 0.0172 0.038 Uiso calc R 1 H C11 0.5553(6) -0.1943(5) 0.1860(4) 0.0184(12) Uani d . 1 C C12 0.3981(6) -0.2535(5) 0.2023(4) 0.0183(11) Uani d . 1 C C13 0.3376(6) -0.3009(5) 0.3128(4) 0.0175(11) Uani d . 1 C C14 0.4601(6) -0.2734(5) 0.3638(4) 0.0177(11) Uani d . 1 C C15 0.5947(6) -0.2056(5) 0.2866(4) 0.0182(11) Uani d . 1 C C16 0.6654(6) -0.1312(5) 0.0846(4) 0.0258(13) Uani d . 1 C H16A 0.7364 -0.1891 0.0696 0.039 Uiso calc R 1 H H16B 0.7312 -0.0675 0.0894 0.039 Uiso calc R 1 H H16C 0.5991 -0.0965 0.0298 0.039 Uiso calc R 1 H C17 0.3105(7) -0.2662(5) 0.1207(4) 0.0278(14) Uani d . 1 C H17A 0.3433 -0.3388 0.1098 0.042 Uiso calc R 1 H H17B 0.3382 -0.1963 0.0566 0.042 Uiso calc R 1 H H17C 0.1933 -0.2715 0.1428 0.042 Uiso calc R 1 H C18 0.1801(6) -0.3748(5) 0.3651(4) 0.0276(14) Uani d . 1 C H18A 0.1995 -0.4599 0.3823 0.041 Uiso calc R 1 H H18B 0.0984 -0.3503 0.3189 0.041 Uiso calc R 1 H H18C 0.1413 -0.3618 0.4279 0.041 Uiso calc R 1 H C19 0.4529(7) -0.3085(5) 0.4784(4) 0.0278(13) Uani d . 1 C H19A 0.4990 -0.3869 0.5082 0.042 Uiso calc R 1 H H19B 0.3399 -0.3124 0.5098 0.042 Uiso calc R 1 H H19C 0.5151 -0.2487 0.4911 0.042 Uiso calc R 1 H C20 0.7495(6) -0.1606(5) 0.3069(4) 0.0275(13) Uani d . 1 C H20A 0.8295 -0.2224 0.3173 0.041 Uiso calc R 1 H H20B 0.7271 -0.1421 0.3683 0.041 Uiso calc R 1 H H20C 0.7921 -0.0882 0.2482 0.041 Uiso calc R 1 H B1 0.8133(8) 0.5211(7) 0.2550(5) 0.0297(16) Uani d . 1 B F1 0.6539(4) 0.5380(3) 0.2912(3) 0.0448(10) Uani d . 1 F F2 0.8939(4) 0.4538(3) 0.3385(2) 0.0331(8) Uani d . 1 F F3 0.8075(5) 0.4559(3) 0.1913(3) 0.0444(10) Uani d . 1 F F4 0.8956(4) 0.6331(3) 0.1992(3) 0.0426(9) Uani d . 1 F loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Rh1 0.0131(2) 0.0157(2) 0.0140(2) -0.00076(16) 0.00170(16) -0.00412(17) Rh2 0.0137(2) 0.0158(2) 0.0137(2) -0.00077(16) 0.00272(16) -0.00392(17) Cl1 0.0131(6) 0.0201(7) 0.0307(8) -0.0018(5) -0.0029(5) -0.0111(6) Cl2 0.0423(9) 0.0267(8) 0.0131(7) 0.0107(6) 0.0039(6) -0.0030(6) Cl3 0.0115(6) 0.0193(7) 0.0253(7) -0.0024(5) 0.0012(5) -0.0075(6) C1 0.019(3) 0.009(3) 0.013(3) 0.004(2) 0.003(2) 0.002(2) C2 0.017(3) 0.019(3) 0.023(3) 0.002(2) 0.001(2) -0.010(2) C3 0.020(3) 0.015(3) 0.013(3) 0.002(2) 0.001(2) -0.003(2) C4 0.019(3) 0.016(3) 0.019(3) 0.005(2) -0.005(2) -0.008(2) C5 0.018(3) 0.011(3) 0.017(3) 0.004(2) -0.002(2) -0.001(2) C6 0.030(3) 0.018(3) 0.021(3) -0.003(2) 0.006(2) 0.001(2) C7 0.021(3) 0.022(3) 0.039(4) -0.004(2) -0.003(3) -0.011(3) C8 0.025(3) 0.029(3) 0.018(3) 0.004(2) -0.003(2) -0.007(3) C9 0.015(3) 0.032(4) 0.021(3) -0.006(2) 0.003(2) -0.010(3) C10 0.029(3) 0.025(3) 0.019(3) 0.003(2) -0.004(2) -0.005(3) C11 0.021(3) 0.015(3) 0.018(3) 0.005(2) 0.000(2) -0.005(2) C12 0.020(3) 0.013(3) 0.021(3) 0.003(2) -0.001(2) -0.007(2) C13 0.016(3) 0.014(3) 0.019(3) 0.004(2) 0.001(2) -0.003(2) C14 0.017(3) 0.014(3) 0.015(3) 0.004(2) -0.002(2) 0.000(2) C15 0.017(3) 0.013(3) 0.022(3) 0.003(2) -0.001(2) -0.005(2) C16 0.018(3) 0.036(4) 0.021(3) -0.001(2) 0.008(2) -0.012(3) C17 0.029(3) 0.030(4) 0.031(3) -0.001(3) -0.006(3) -0.018(3) C18 0.023(3) 0.026(3) 0.030(3) -0.012(2) 0.004(2) -0.009(3) C19 0.027(3) 0.027(3) 0.020(3) 0.000(3) -0.003(2) 0.000(3) C20 0.019(3) 0.027(3) 0.031(3) 0.001(2) 0.000(2) -0.007(3) B1 0.030(4) 0.026(4) 0.028(4) -0.007(3) -0.002(3) -0.006(3) F1 0.025(2) 0.035(2) 0.068(3) 0.0050(16) 0.0039(18) -0.016(2) F2 0.035(2) 0.031(2) 0.0274(19) -0.0001(15) -0.0075(15) -0.0035(16) F3 0.059(3) 0.045(3) 0.038(2) 0.0163(19) -0.0164(18) -0.0233(19) F4 0.036(2) 0.035(2) 0.040(2) -0.0121(17) -0.0032(17) 0.0030(17) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Rh1 C2 2.116(5) yes Rh1 C4 2.119(5) yes Rh1 C1 2.123(5) yes Rh1 C3 2.132(5) yes Rh1 C5 2.146(5) yes Rh1 Cl1 2.4358(13) yes Rh1 Cl2 2.4396(15) yes Rh1 Cl3 2.4697(13) yes Rh2 C13 2.106(5) yes Rh2 C15 2.117(5) yes Rh2 C12 2.123(5) yes Rh2 C14 2.123(5) yes Rh2 C11 2.125(5) yes Rh2 Cl2 2.4403(13) yes Rh2 Cl1 2.4468(14) yes Rh2 Cl3 2.4705(13) yes C1 C5 1.416(6) ? C1 C2 1.454(7) ? C1 C6 1.484(6) ? C2 C3 1.436(6) ? C2 C7 1.493(6) ? C3 C4 1.430(7) ? C3 C8 1.488(6) ? C4 C5 1.439(6) ? C4 C9 1.506(6) ? C5 C10 1.484(7) ? C6 H6A 0.960 ? C6 H6B 0.960 ? C6 H6C 0.960 ? C7 H7A 0.960 ? C7 H7B 0.960 ? C7 H7C 0.960 ? C8 H8A 0.960 ? C8 H8B 0.960 ? C8 H8C 0.960 ? C9 H9A 0.960 ? C9 H9B 0.960 ? C9 H9C 0.960 ? C10 H10A 0.960 ? C10 H10B 0.960 ? C10 H10C 0.960 ? C11 C12 1.418(6) ? C11 C15 1.446(7) ? C11 C16 1.494(6) ? C12 C13 1.444(6) ? C12 C17 1.484(7) ? C13 C14 1.416(7) ? C13 C18 1.495(6) ? C14 C15 1.432(6) ? C14 C19 1.488(6) ? C15 C20 1.482(6) ? C16 H16A 0.960 ? C16 H16B 0.960 ? C16 H16C 0.960 ? C17 H17A 0.960 ? C17 H17B 0.960 ? C17 H17C 0.960 ? C18 H18A 0.960 ? C18 H18B 0.960 ? C18 H18C 0.960 ? C19 H19A 0.960 ? C19 H19B 0.960 ? C19 H19C 0.960 ? C20 H20A 0.960 ? C20 H20B 0.960 ? C20 H20C 0.960 ? B1 F1 1.373(7) ? B1 F4 1.381(7) ? B1 F2 1.389(8) ? B1 F3 1.392(7) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag C2 Rh1 C4 66.43(19) ? C2 Rh1 C1 40.14(18) ? C4 Rh1 C1 66.14(19) ? C2 Rh1 C3 39.51(17) ? C4 Rh1 C3 39.31(18) ? C1 Rh1 C3 66.37(18) ? C2 Rh1 C5 66.08(19) ? C4 Rh1 C5 39.44(17) ? C1 Rh1 C5 38.75(17) ? C3 Rh1 C5 65.77(19) ? C2 Rh1 Cl1 160.24(15) ? C4 Rh1 Cl1 108.98(14) ? C1 Rh1 Cl1 120.10(14) ? C3 Rh1 Cl1 145.65(14) ? C5 Rh1 Cl1 97.79(14) ? C2 Rh1 Cl2 117.46(15) ? C4 Rh1 Cl2 108.77(14) ? C1 Rh1 Cl2 157.60(14) ? C3 Rh1 Cl2 95.53(14) ? C5 Rh1 Cl2 146.59(13) ? Cl1 Rh1 Cl2 82.30(5) yes C2 Rh1 Cl3 99.87(14) ? C4 Rh1 Cl3 165.35(14) ? C1 Rh1 Cl3 100.22(13) ? C3 Rh1 Cl3 131.77(14) ? C5 Rh1 Cl3 131.58(13) ? Cl1 Rh1 Cl3 82.07(4) yes Cl2 Rh1 Cl3 81.70(5) yes C13 Rh2 C15 66.41(19) ? C13 Rh2 C12 39.93(17) ? C15 Rh2 C12 66.19(19) ? C13 Rh2 C14 39.11(18) ? C15 Rh2 C14 39.49(18) ? C12 Rh2 C14 66.0(2) ? C13 Rh2 C11 66.44(19) ? C15 Rh2 C11 39.85(18) ? C12 Rh2 C11 39.00(17) ? C14 Rh2 C11 66.21(19) ? C13 Rh2 Cl2 110.98(13) ? C15 Rh2 Cl2 117.32(14) ? C12 Rh2 Cl2 149.36(14) ? C14 Rh2 Cl2 96.96(14) ? C11 Rh2 Cl2 157.02(15) ? C13 Rh2 Cl1 108.26(14) ? C15 Rh2 Cl1 160.62(14) ? C12 Rh2 Cl1 97.43(15) ? C14 Rh2 Cl1 144.66(14) ? C11 Rh2 Cl1 120.80(15) ? Cl2 Rh2 Cl1 82.06(5) yes C13 Rh2 Cl3 164.42(13) ? C15 Rh2 Cl3 100.08(14) ? C12 Rh2 Cl3 128.76(14) ? C14 Rh2 Cl3 133.22(14) ? C11 Rh2 Cl3 98.31(14) ? Cl2 Rh2 Cl3 81.67(5) yes Cl1 Rh2 Cl3 81.83(4) yes Rh1 Cl1 Rh2 81.94(4) yes Rh1 Cl2 Rh2 82.00(4) yes Rh1 Cl3 Rh2 80.79(4) yes C5 C1 C2 108.1(4) ? C5 C1 C6 127.3(5) ? C2 C1 C6 124.5(5) ? C5 C1 Rh1 71.5(3) ? C2 C1 Rh1 69.7(3) ? C6 C1 Rh1 126.0(4) ? C3 C2 C1 107.3(4) ? C3 C2 C7 126.8(5) ? C1 C2 C7 125.8(4) ? C3 C2 Rh1 70.8(3) ? C1 C2 Rh1 70.2(3) ? C7 C2 Rh1 125.9(4) ? C4 C3 C2 108.1(4) ? C4 C3 C8 126.6(4) ? C2 C3 C8 125.3(5) ? C4 C3 Rh1 69.9(3) ? C2 C3 Rh1 69.6(3) ? C8 C3 Rh1 125.9(4) ? C3 C4 C5 108.1(4) ? C3 C4 C9 125.5(4) ? C5 C4 C9 126.3(4) ? C3 C4 Rh1 70.8(3) ? C5 C4 Rh1 71.3(3) ? C9 C4 Rh1 127.4(4) ? C1 C5 C4 108.3(4) ? C1 C5 C10 126.9(4) ? C4 C5 C10 124.8(4) ? C1 C5 Rh1 69.7(3) ? C4 C5 Rh1 69.3(3) ? C10 C5 Rh1 126.3(4) ? 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 H10A 109.5 ? C5 C10 H10B 109.5 ? H10A C10 H10B 109.5 ? C5 C10 H10C 109.5 ? H10A C10 H10C 109.5 ? H10B C10 H10C 109.5 ? C12 C11 C15 107.9(4) ? C12 C11 C16 127.6(5) ? C15 C11 C16 124.4(5) ? C12 C11 Rh2 70.4(3) ? C15 C11 Rh2 69.8(3) ? C16 C11 Rh2 125.5(4) ? C11 C12 C13 108.2(4) ? C11 C12 C17 126.3(4) ? C13 C12 C17 125.5(5) ? C11 C12 Rh2 70.6(3) ? C13 C12 Rh2 69.4(3) ? C17 C12 Rh2 126.2(4) ? C14 C13 C12 107.9(4) ? C14 C13 C18 125.8(5) ? C12 C13 C18 126.2(5) ? C14 C13 Rh2 71.1(3) ? C12 C13 Rh2 70.7(3) ? C18 C13 Rh2 127.5(4) ? C13 C14 C15 108.6(4) ? C13 C14 C19 126.5(4) ? C15 C14 C19 124.9(5) ? C13 C14 Rh2 69.8(3) ? C15 C14 Rh2 70.0(3) ? C19 C14 Rh2 126.1(4) ? C14 C15 C11 107.4(4) ? C14 C15 C20 126.1(5) ? C11 C15 C20 126.4(5) ? C14 C15 Rh2 70.5(3) ? C11 C15 Rh2 70.3(3) ? C20 C15 Rh2 126.7(4) ? C11 C16 H16A 109.5 ? C11 C16 H16B 109.5 ? H16A C16 H16B 109.5 ? C11 C16 H16C 109.5 ? H16A C16 H16C 109.5 ? H16B C16 H16C 109.5 ? C12 C17 H17A 109.5 ? C12 C17 H17B 109.5 ? H17A C17 H17B 109.5 ? C12 C17 H17C 109.5 ? H17A C17 H17C 109.5 ? H17B C17 H17C 109.5 ? C13 C18 H18A 109.5 ? C13 C18 H18B 109.5 ? H18A C18 H18B 109.5 ? C13 C18 H18C 109.5 ? H18A C18 H18C 109.5 ? H18B C18 H18C 109.5 ? C14 C19 H19A 109.5 ? C14 C19 H19B 109.5 ? H19A C19 H19B 109.5 ? C14 C19 H19C 109.5 ? H19A C19 H19C 109.5 ? H19B C19 H19C 109.5 ? C15 C20 H20A 109.5 ? C15 C20 H20B 109.5 ? H20A C20 H20B 109.5 ? C15 C20 H20C 109.5 ? H20A C20 H20C 109.5 ? H20B C20 H20C 109.5 ? F1 B1 F4 109.7(6) ? F1 B1 F2 109.7(5) ? F4 B1 F2 110.1(5) ? F1 B1 F3 108.2(5) ? F4 B1 F3 110.3(5) ? F2 B1 F3 108.9(6) ?