# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name F.Poineau P.Forster T.Todorova L.A.Gagliardi K.Czerwinski _publ_contact_author_name 'Dr Frederic Poineau' _publ_contact_author_email poineauf@unlv.nevada.edu data_cstc2br8_0m _database_code_depnum_ccdc_archive 'CCDC 849128' #TrackingRef '- Cs3Tc2Br8.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Br4 Cs1.11 O1.78 Tc' _chemical_formula_weight 593.68 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Tc Tc -1.4390 0.7593 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Trigonal _symmetry_space_group_name_H-M P3(2)21 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z+2/3' '-x+y, -x, z+1/3' 'y, x, -z' 'x-y, -y, -z+1/3' '-x, -x+y, -z+2/3' _cell_length_a 13.571(3) _cell_length_b 13.571(3) _cell_length_c 9.322(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 1486.9(6) _cell_formula_units_Z 6 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9922 _cell_measurement_theta_min 5.578 _cell_measurement_theta_max 60.710 _exptl_crystal_description 'hexagonal blocks' _exptl_crystal_colour orange _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.978 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1550 _exptl_absorpt_coefficient_mu 21.527 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4586 _exptl_absorpt_correction_T_max 0.7461 _exptl_absorpt_process_details 'G. M. Sheldrick, SADABS version 2.03' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 23966 _diffrn_reflns_av_R_equivalents 0.0551 _diffrn_reflns_av_sigmaI/netI 0.0338 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 1.73 _diffrn_reflns_theta_max 30.62 _reflns_number_total 3049 _reflns_number_gt 2991 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0146P)^2^+8.8705P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens none _refine_ls_hydrogen_treatment none _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.056(10) _refine_ls_number_reflns 3049 _refine_ls_number_parameters 87 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0283 _refine_ls_R_factor_gt 0.0276 _refine_ls_wR_factor_ref 0.0647 _refine_ls_wR_factor_gt 0.0646 _refine_ls_goodness_of_fit_ref 1.230 _refine_ls_restrained_S_all 1.230 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Cs1 Cs 0.68924(4) 0.18424(3) 0.08557(4) 0.01117(9) Uani 1 1 d . . . Tc1 Tc 0.92113(4) 0.56663(4) 0.27747(5) 0.00379(9) Uani 1 1 d . . . Br1 Br 0.94230(5) 0.45640(5) 0.07461(7) 0.00721(12) Uani 1 1 d . . . Br2 Br 0.78961(5) 0.61904(6) 0.40373(7) 0.01073(13) Uani 1 1 d . . . Br3 Br 0.80258(6) 0.37527(5) 0.39621(7) 0.00980(13) Uani 1 1 d . . . Br4 Br 0.94498(5) 0.70893(5) 0.09022(7) 0.00853(12) Uani 1 1 d . . . Cs2B Cs 0.997(3) 0.934(2) -0.132(2) 0.052(11) Uiso 0.038(5) 1 d P . . Cs2A Cs 0.696(2) 0.693(2) 0.020(4) 0.054(7) Uiso 0.041(3) 1 d P . . O1W O 1.0000 0.1025(9) -0.1667 0.048(3) Uiso 0.962(5) 2 d SP . . O2W O 0.9371(11) 0.1849(15) 0.1295(12) 0.029(4) Uiso 0.57(4) 1 d P . . O3W O 1.055(2) 0.9344(15) -0.138(2) 0.034(7) Uiso 0.39(4) 1 d P . . O4W O 0.911(2) 0.127(3) 0.121(2) 0.033(8) Uiso 0.34(4) 1 d P . . Cs2C Cs 0.717(2) 0.733(2) 0.085(3) 0.040(8) Uiso 0.032(4) 1 d P . . 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 Cs1 0.0157(2) 0.00698(16) 0.00548(16) -0.00133(13) 0.00214(15) 0.00168(15) Tc1 0.0032(2) 0.0054(2) 0.00214(18) -0.00025(17) -0.00099(15) 0.00169(18) Br1 0.0070(3) 0.0063(3) 0.0065(3) -0.0016(2) 0.0006(2) 0.0020(2) Br2 0.0077(3) 0.0188(3) 0.0085(3) -0.0011(2) -0.0006(2) 0.0087(3) Br3 0.0078(3) 0.0081(3) 0.0065(3) 0.0031(2) -0.0007(2) -0.0013(2) Br4 0.0096(3) 0.0080(3) 0.0076(3) 0.0028(2) -0.0020(2) 0.0042(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 Cs1 O2W 3.384(12) . ? Cs1 O4W 3.49(2) . ? Cs1 Br1 3.5525(10) 4_545 ? Cs1 Br1 3.5725(11) . ? Cs1 Br3 3.6722(9) . ? Cs1 Br1 3.6807(10) 3_665 ? Cs1 Br2 3.6911(10) 3_664 ? Cs1 Br3 3.7190(10) 3_664 ? Cs1 Br4 3.7639(10) 4_545 ? Cs1 Br3 3.8186(12) 2_654 ? Cs1 Cs2C 3.89(2) 5_665 ? Cs1 Br4 3.9759(10) 3_665 ? Tc1 Tc1 2.1265(10) 6_765 ? Tc1 Br4 2.5011(9) . ? Tc1 Br1 2.5152(9) . ? Tc1 Br2 2.5192(9) . ? Tc1 Br3 2.5259(9) . ? Tc1 Cs2A 4.201(19) 5_665 ? Tc1 Cs2A 4.23(2) 3_665 ? Br1 Cs2C 3.32(2) 5_665 ? Br1 Cs2A 3.38(3) 5_665 ? Br1 Cs1 3.5524(10) 4_655 ? Br1 Cs2A 3.62(3) 3_665 ? Br1 Cs1 3.6807(10) 2_654 ? Br2 Cs1 3.6911(10) 2_655 ? Br2 Cs2C 3.70(2) . ? Br2 Cs2A 4.09(3) . ? Br2 Cs1 4.0966(12) 3_665 ? Br3 Cs2A 3.25(3) 3_665 ? Br3 Cs2A 3.37(3) 5_665 ? Br3 Cs2C 3.69(3) 3_665 ? Br3 Cs2C 3.71(3) 5_665 ? Br3 Cs1 3.7190(10) 2_655 ? Br3 Cs1 3.8186(12) 3_665 ? Br4 Cs2C 3.26(2) . ? Br4 Cs2A 3.34(3) . ? Br4 Cs2C 3.36(2) 4 ? Br4 Cs2B 3.46(2) . ? Br4 Cs2A 3.49(3) 4 ? Br4 Cs1 3.7639(11) 4_655 ? Br4 Cs2B 3.90(2) 6_764 ? Br4 Cs1 3.9759(10) 2_654 ? Br4 Cs2B 4.00(3) 4 ? Br4 Cs2B 4.18(3) 3_675 ? Cs2B Cs2B 0.66(4) 6_764 ? Cs2B O3W 0.80(3) . ? Cs2B O3W 0.93(3) 6_764 ? Cs2B O4W 1.95(4) 4_655 ? Cs2B O4W 2.02(4) 2_654 ? Cs2B O1W 2.28(3) 1_565 ? Cs2B O2W 2.54(4) 4_655 ? Cs2B O2W 2.56(3) 2_654 ? Cs2B Cs2B 2.86(5) 4 ? Cs2B O1W 3.05(2) 3_775 ? Cs2B O3W 3.33(4) 4 ? Cs2B Cs2C 3.34(4) 4 ? Cs2A Cs2A 0.38(7) 4 ? Cs2A Cs2C 0.77(3) . ? Cs2A Cs2C 1.08(5) 4 ? Cs2A O2W 2.24(4) 5_565 ? Cs2A O2W 2.51(4) 2_654 ? Cs2A O4W 2.78(5) 5_565 ? Cs2A O4W 3.00(4) 2_654 ? Cs2A Br3 3.25(3) 2_654 ? Cs2A Br3 3.37(3) 5_565 ? Cs2A Br1 3.38(3) 5_565 ? Cs2A O3W 3.48(4) 3_675 ? O1W Cs2B 2.28(3) 1_545 ? O1W Cs2B 2.28(3) 6_754 ? O1W Cs2B 3.05(2) 2_754 ? O1W Cs2B 3.05(2) 4_545 ? O1W Cs2B 3.63(2) 3_665 ? O1W Cs2B 3.63(2) 5_664 ? O2W O4W 0.69(2) . ? O2W Cs2C 1.47(3) 5_665 ? O2W O3W 1.75(3) 4_545 ? O2W Cs2A 2.24(4) 5_665 ? O2W Cs2A 2.51(4) 3_665 ? O2W Cs2B 2.54(4) 4_545 ? O2W Cs2B 2.56(3) 3_665 ? O2W Cs2C 2.96(3) 3_665 ? O3W Cs2B 0.93(3) 6_764 ? O3W O4W 1.17(4) 4_655 ? O3W O3W 1.40(5) 6_764 ? O3W O2W 1.75(3) 4_655 ? O3W Cs2C 2.80(4) 2_764 ? O3W Cs2B 3.33(4) 4 ? O3W Cs2B 3.47(3) 2_764 ? O3W Cs2A 3.48(4) 2_764 ? O3W Cs2A 3.65(3) 6_764 ? O3W Cs2C 3.77(3) 6_764 ? O4W O3W 1.17(4) 4_545 ? O4W Cs2B 1.95(4) 4_545 ? O4W Cs2B 2.02(4) 3_665 ? O4W Cs2C 2.03(4) 5_665 ? O4W Cs2A 2.78(5) 5_665 ? O4W Cs2A 3.00(4) 3_665 ? O4W Cs2C 3.34(4) 3_665 ? Cs2C Cs2A 1.08(5) 4 ? Cs2C O2W 1.47(3) 5_565 ? Cs2C Cs2C 1.63(5) 4 ? Cs2C O4W 2.03(4) 5_565 ? Cs2C O3W 2.80(4) 3_675 ? Cs2C O2W 2.96(3) 2_654 ? Cs2C Br1 3.32(2) 5_565 ? Cs2C Cs2B 3.34(4) 4 ? Cs2C O4W 3.34(4) 2_654 ? Cs2C Br4 3.36(2) 4 ? 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 O2W Cs1 O4W 11.4(4) . . ? O2W Cs1 Br1 118.5(3) . 4_545 ? O4W Cs1 Br1 107.6(5) . 4_545 ? O2W Cs1 Br1 63.9(3) . . ? O4W Cs1 Br1 75.0(5) . . ? Br1 Cs1 Br1 153.457(14) 4_545 . ? O2W Cs1 Br3 80.7(3) . . ? O4W Cs1 Br3 88.8(5) . . ? Br1 Cs1 Br3 148.100(19) 4_545 . ? Br1 Cs1 Br3 56.346(17) . . ? O2W Cs1 Br1 108.2(2) . 3_665 ? O4W Cs1 Br1 104.3(4) . 3_665 ? Br1 Cs1 Br1 80.99(2) 4_545 3_665 ? Br1 Cs1 Br1 124.64(2) . 3_665 ? Br3 Cs1 Br1 68.31(2) . 3_665 ? O2W Cs1 Br2 69.04(19) . 3_664 ? O4W Cs1 Br2 69.1(3) . 3_664 ? Br1 Cs1 Br2 84.06(2) 4_545 3_664 ? Br1 Cs1 Br2 72.097(15) . 3_664 ? Br3 Cs1 Br2 127.76(2) . 3_664 ? Br1 Cs1 Br2 160.913(19) 3_665 3_664 ? O2W Cs1 Br3 123.63(19) . 3_664 ? O4W Cs1 Br3 122.1(4) . 3_664 ? Br1 Cs1 Br3 57.739(17) 4_545 3_664 ? Br1 Cs1 Br3 97.867(18) . 3_664 ? Br3 Cs1 Br3 135.06(2) . 3_664 ? Br1 Cs1 Br3 124.06(2) 3_665 3_664 ? Br2 Cs1 Br3 54.63(2) 3_664 3_664 ? O2W Cs1 Br4 63.6(3) . 4_545 ? O4W Cs1 Br4 53.6(5) . 4_545 ? Br1 Cs1 Br4 55.509(14) 4_545 4_545 ? Br1 Cs1 Br4 115.675(18) . 4_545 ? Br3 Cs1 Br4 140.087(19) . 4_545 ? Br1 Cs1 Br4 105.12(2) 3_665 4_545 ? Br2 Cs1 Br4 56.239(16) 3_664 4_545 ? Br3 Cs1 Br4 82.435(19) 3_664 4_545 ? O2W Cs1 Br3 131.4(3) . 2_654 ? O4W Cs1 Br3 142.7(5) . 2_654 ? Br1 Cs1 Br3 107.035(18) 4_545 2_654 ? Br1 Cs1 Br3 67.814(15) . 2_654 ? Br3 Cs1 Br3 68.271(12) . 2_654 ? Br1 Cs1 Br3 94.285(16) 3_665 2_654 ? Br2 Cs1 Br3 101.420(17) 3_664 2_654 ? Br3 Cs1 Br3 67.807(13) 3_664 2_654 ? Br4 Cs1 Br3 150.108(19) 4_545 2_654 ? O2W Cs1 Cs2C 22.0(5) . 5_665 ? O4W Cs1 Cs2C 31.4(7) . 5_665 ? Br1 Cs1 Cs2C 138.0(4) 4_545 5_665 ? Br1 Cs1 Cs2C 52.6(4) . 5_665 ? Br3 Cs1 Cs2C 58.8(4) . 5_665 ? Br1 Cs1 Cs2C 98.6(4) 3_665 5_665 ? Br2 Cs1 Cs2C 84.7(4) 3_664 5_665 ? Br3 Cs1 Cs2C 137.3(4) 3_664 5_665 ? Br4 Cs1 Cs2C 84.9(4) 4_545 5_665 ? Br3 Cs1 Cs2C 114.8(4) 2_654 5_665 ? O2W Cs1 Br4 55.5(2) . 3_665 ? O4W Cs1 Br4 52.2(4) . 3_665 ? Br1 Cs1 Br4 103.329(19) 4_545 3_665 ? Br1 Cs1 Br4 98.822(17) . 3_665 ? Br3 Cs1 Br4 65.00(2) . 3_665 ? Br1 Cs1 Br4 52.760(18) 3_665 3_665 ? Br2 Cs1 Br4 120.47(2) 3_664 3_665 ? Br3 Cs1 Br4 159.513(19) 3_664 3_665 ? Br4 Cs1 Br4 79.67(2) 4_545 3_665 ? Br3 Cs1 Br4 130.098(17) 2_654 3_665 ? Cs2C Cs1 Br4 50.6(3) 5_665 3_665 ? Tc1 Tc1 Br4 104.13(3) 6_765 . ? Tc1 Tc1 Br1 106.38(3) 6_765 . ? Br4 Tc1 Br1 85.72(3) . . ? Tc1 Tc1 Br2 107.83(3) 6_765 . ? Br4 Tc1 Br2 86.82(3) . . ? Br1 Tc1 Br2 145.79(3) . . ? Tc1 Tc1 Br3 105.44(3) 6_765 . ? Br4 Tc1 Br3 150.42(3) . . ? Br1 Tc1 Br3 85.49(3) . . ? Br2 Tc1 Br3 84.75(3) . . ? Tc1 Tc1 Cs2A 76.2(6) 6_765 5_665 ? Br4 Tc1 Cs2A 135.7(4) . 5_665 ? Br1 Tc1 Cs2A 53.5(5) . 5_665 ? Br2 Tc1 Cs2A 136.1(4) . 5_665 ? Br3 Tc1 Cs2A 53.4(5) . 5_665 ? Tc1 Tc1 Cs2A 74.6(6) 6_765 3_665 ? Br4 Tc1 Cs2A 140.8(4) . 3_665 ? Br1 Tc1 Cs2A 58.4(5) . 3_665 ? Br2 Tc1 Cs2A 131.6(4) . 3_665 ? Br3 Tc1 Cs2A 50.1(5) . 3_665 ? Cs2A Tc1 Cs2A 5.1(9) 5_665 3_665 ? Tc1 Br1 Cs2C 102.1(5) . 5_665 ? Tc1 Br1 Cs2A 89.7(5) . 5_665 ? Cs2C Br1 Cs2A 13.2(5) 5_665 5_665 ? Tc1 Br1 Cs1 96.69(2) . 4_655 ? Cs2C Br1 Cs1 116.9(4) 5_665 4_655 ? Cs2A Br1 Cs1 114.6(7) 5_665 4_655 ? Tc1 Br1 Cs1 104.88(2) . . ? Cs2C Br1 Cs1 68.6(4) 5_665 . ? Cs2A Br1 Cs1 76.0(7) 5_665 . ? Cs1 Br1 Cs1 156.18(2) 4_655 . ? Tc1 Br1 Cs2A 85.2(4) . 3_665 ? Cs2C Br1 Cs2A 17.2(8) 5_665 3_665 ? Cs2A Br1 Cs2A 4.8(8) 5_665 3_665 ? Cs1 Br1 Cs2A 116.6(6) 4_655 3_665 ? Cs1 Br1 Cs2A 75.8(6) . 3_665 ? Tc1 Br1 Cs1 107.75(3) . 2_654 ? Cs2C Br1 Cs1 144.4(5) 5_665 2_654 ? Cs2A Br1 Cs1 157.2(7) 5_665 2_654 ? Cs1 Br1 Cs1 78.695(19) 4_655 2_654 ? Cs1 Br1 Cs1 85.134(18) . 2_654 ? Cs2A Br1 Cs1 159.3(6) 3_665 2_654 ? Tc1 Br2 Cs1 93.59(3) . 2_655 ? Tc1 Br2 Cs2C 96.7(4) . . ? Cs1 Br2 Cs2C 169.4(4) 2_655 . ? Tc1 Br2 Cs2A 90.6(6) . . ? Cs1 Br2 Cs2A 168.6(3) 2_655 . ? Cs2C Br2 Cs2A 9.9(5) . . ? Tc1 Br2 Cs1 101.26(2) . 3_665 ? Cs1 Br2 Cs1 77.924(16) 2_655 3_665 ? Cs2C Br2 Cs1 97.3(4) . 3_665 ? Cs2A Br2 Cs1 90.9(3) . 3_665 ? Tc1 Br3 Cs2A 93.3(5) . 3_665 ? Tc1 Br3 Cs2A 89.7(5) . 5_665 ? Cs2A Br3 Cs2A 6.2(12) 3_665 5_665 ? Tc1 Br3 Cs1 101.94(3) . . ? Cs2A Br3 Cs1 79.0(7) 3_665 . ? Cs2A Br3 Cs1 74.8(7) 5_665 . ? Tc1 Br3 Cs2C 99.8(4) . 3_665 ? Cs2A Br3 Cs2C 10.6(6) 3_665 3_665 ? Cs2A Br3 Cs2C 16.8(8) 5_665 3_665 ? Cs1 Br3 Cs2C 85.8(4) . 3_665 ? Tc1 Br3 Cs2C 92.0(4) . 5_665 ? Cs2A Br3 Cs2C 16.1(9) 3_665 5_665 ? Cs2A Br3 Cs2C 11.3(6) 5_665 5_665 ? Cs1 Br3 Cs2C 63.5(4) . 5_665 ? Cs2C Br3 Cs2C 25.5(8) 3_665 5_665 ? Tc1 Br3 Cs1 92.82(3) . 2_655 ? Cs2A Br3 Cs1 113.3(7) 3_665 2_655 ? Cs2A Br3 Cs1 118.6(7) 5_665 2_655 ? Cs1 Br3 Cs1 160.38(2) . 2_655 ? Cs2C Br3 Cs1 104.5(4) 3_665 2_655 ? Cs2C Br3 Cs1 129.5(4) 5_665 2_655 ? Tc1 Br3 Cs1 108.74(2) . 3_665 ? Cs2A Br3 Cs1 153.4(6) 3_665 3_665 ? Cs2A Br3 Cs1 152.8(7) 5_665 3_665 ? Cs1 Br3 Cs1 81.827(15) . 3_665 ? Cs2C Br3 Cs1 150.6(4) 3_665 3_665 ? Cs2C Br3 Cs1 142.8(4) 5_665 3_665 ? Cs1 Br3 Cs1 81.225(15) 2_655 3_665 ? Tc1 Br4 Cs2C 108.8(4) . . ? Tc1 Br4 Cs2A 110.5(4) . . ? Cs2C Br4 Cs2A 13.4(6) . . ? Tc1 Br4 Cs2C 125.7(5) . 4 ? Cs2C Br4 Cs2C 28.5(10) . 4 ? Cs2A Br4 Cs2C 18.5(9) . 4 ? Tc1 Br4 Cs2B 172.0(4) . . ? Cs2C Br4 Cs2B 71.8(6) . . ? Cs2A Br4 Cs2B 72.1(7) . . ? Cs2C Br4 Cs2B 58.5(7) 4 . ? Tc1 Br4 Cs2A 114.9(5) . 4 ? Cs2C Br4 Cs2A 17.9(10) . 4 ? Cs2A Br4 Cs2A 5.8(12) . 4 ? Cs2C Br4 Cs2A 12.8(5) 4 4 ? Cs2B Br4 Cs2A 68.2(7) . 4 ? Tc1 Br4 Cs1 91.85(2) . 4_655 ? Cs2C Br4 Cs1 153.4(5) . 4_655 ? Cs2A Br4 Cs1 142.2(7) . 4_655 ? Cs2C Br4 Cs1 125.0(5) 4 4_655 ? Cs2B Br4 Cs1 90.1(5) . 4_655 ? Cs2A Br4 Cs1 136.6(7) 4 4_655 ? Tc1 Br4 Cs2B 176.3(4) . 6_764 ? Cs2C Br4 Cs2B 74.8(5) . 6_764 ? Cs2A Br4 Cs2B 73.3(6) . 6_764 ? Cs2C Br4 Cs2B 58.0(7) 4 6_764 ? Cs2B Br4 Cs2B 7.6(5) . 6_764 ? Cs2A Br4 Cs2B 68.9(6) 4 6_764 ? Cs1 Br4 Cs2B 85.1(4) 4_655 6_764 ? Tc1 Br4 Cs1 100.01(3) . 2_654 ? Cs2C Br4 Cs1 87.0(5) . 2_654 ? Cs2A Br4 Cs1 73.7(7) . 2_654 ? Cs2C Br4 Cs1 63.3(4) 4 2_654 ? Cs2B Br4 Cs1 88.0(4) . 2_654 ? Cs2A Br4 Cs1 69.6(6) 4 2_654 ? Cs1 Br4 Cs1 72.633(18) 4_655 2_654 ? Cs2B Br4 Cs1 81.1(4) 6_764 2_654 ? Tc1 Br4 Cs2B 129.2(3) . 4 ? Cs2C Br4 Cs2B 53.6(6) . 4 ? Cs2A Br4 Cs2B 63.5(7) . 4 ? Cs2C Br4 Cs2B 64.2(5) 4 4 ? Cs2B Br4 Cs2B 44.4(6) . 4 ? Cs2A Br4 Cs2B 64.2(6) 4 4 ? Cs1 Br4 Cs2B 124.4(3) 4_655 4 ? Cs2B Br4 Cs2B 51.8(3) 6_764 4 ? Cs1 Br4 Cs2B 122.5(3) 2_654 4 ? Tc1 Br4 Cs2B 120.6(3) . 3_675 ? Cs2C Br4 Cs2B 55.4(7) . 3_675 ? Cs2A Br4 Cs2B 66.8(7) . 3_675 ? Cs2C Br4 Cs2B 70.0(5) 4 3_675 ? Cs2B Br4 Cs2B 52.7(4) . 3_675 ? Cs2A Br4 Cs2B 68.3(6) 4 3_675 ? Cs1 Br4 Cs2B 127.6(4) 4_655 3_675 ? Cs2B Br4 Cs2B 60.3(5) 6_764 3_675 ? Cs1 Br4 Cs2B 130.5(3) 2_654 3_675 ? Cs2B Br4 Cs2B 8.8(6) 4 3_675 ? Cs2B Cs2B O3W 79(5) 6_764 . ? Cs2B Cs2B O3W 57(3) 6_764 6_764 ? O3W Cs2B O3W 108(4) . 6_764 ? Cs2B Cs2B O4W 87(4) 6_764 4_655 ? O3W Cs2B O4W 10.8(19) . 4_655 ? O3W Cs2B O4W 106(3) 6_764 4_655 ? Cs2B Cs2B O4W 74(4) 6_764 2_654 ? O3W Cs2B O4W 107(3) . 2_654 ? O3W Cs2B O4W 18.3(17) 6_764 2_654 ? O4W Cs2B O4W 102.7(18) 4_655 2_654 ? Cs2B Cs2B O1W 81.7(5) 6_764 1_565 ? O3W Cs2B O1W 118(3) . 1_565 ? O3W Cs2B O1W 110(2) 6_764 1_565 ? O4W Cs2B O1W 127.0(15) 4_655 1_565 ? O4W Cs2B O1W 123.0(15) 2_654 1_565 ? Cs2B Cs2B O2W 84(5) 6_764 4_655 ? O3W Cs2B O2W 4.8(19) . 4_655 ? O3W Cs2B O2W 111(3) 6_764 4_655 ? O4W Cs2B O2W 9.0(8) 4_655 4_655 ? O4W Cs2B O2W 109.8(14) 2_654 4_655 ? O1W Cs2B O2W 118.0(11) 1_565 4_655 ? Cs2B Cs2B O2W 81(5) 6_764 2_654 ? O3W Cs2B O2W 117(3) . 2_654 ? O3W Cs2B O2W 24.2(19) 6_764 2_654 ? O4W Cs2B O2W 111.8(14) 4_655 2_654 ? O4W Cs2B O2W 11.0(8) 2_654 2_654 ? O1W Cs2B O2W 117.2(13) 1_565 2_654 ? O2W Cs2B O2W 119.5(12) 4_655 2_654 ? Cs2B Cs2B Cs2B 152(3) 6_764 4 ? O3W Cs2B Cs2B 120(3) . 4 ? O3W Cs2B Cs2B 124(3) 6_764 4 ? O4W Cs2B Cs2B 115.4(14) 4_655 4 ? O4W Cs2B Cs2B 113.4(10) 2_654 4 ? O1W Cs2B Cs2B 71.9(11) 1_565 4 ? O2W Cs2B Cs2B 115.6(11) 4_655 4 ? O2W Cs2B Cs2B 103.2(7) 2_654 4 ? Cs2B Cs2B O1W 149(6) 6_764 3_775 ? O3W Cs2B O1W 75(2) . 3_775 ? O3W Cs2B O1W 150(2) 6_764 3_775 ? O4W Cs2B O1W 70.5(10) 4_655 3_775 ? O4W Cs2B O1W 131.6(11) 2_654 3_775 ? O1W Cs2B O1W 93.8(8) 1_565 3_775 ? O2W Cs2B O1W 70.4(7) 4_655 3_775 ? O2W Cs2B O1W 127.4(8) 2_654 3_775 ? Cs2B Cs2B O1W 45.3(6) 4 3_775 ? Cs2B Cs2B O3W 141.0(14) 6_764 4 ? O3W Cs2B O3W 124(3) . 4 ? O3W Cs2B O3W 127(3) 6_764 4 ? O4W Cs2B O3W 120.9(12) 4_655 4 ? O4W Cs2B O3W 119.2(13) 2_654 4 ? O1W Cs2B O3W 60.0(9) 1_565 4 ? O2W Cs2B O3W 119.1(9) 4_655 4 ? O2W Cs2B O3W 108.4(9) 2_654 4 ? Cs2B Cs2B O3W 11.9(6) 4 4 ? O1W Cs2B O3W 50.7(5) 3_775 4 ? Cs2B Cs2B Cs2C 104(5) 6_764 4 ? O3W Cs2B Cs2C 130(3) . 4 ? O3W Cs2B Cs2C 48(2) 6_764 4 ? O4W Cs2B Cs2C 120.8(13) 4_655 4 ? O4W Cs2B Cs2C 34.7(10) 2_654 4 ? O1W Cs2B Cs2C 112.2(12) 1_565 4 ? O2W Cs2B Cs2C 129.8(10) 4_655 4 ? O2W Cs2B Cs2C 24.6(6) 2_654 4 ? Cs2B Cs2B Cs2C 78.7(6) 4 4 ? O1W Cs2B Cs2C 106.3(8) 3_775 4 ? O3W Cs2B Cs2C 85.0(8) 4 4 ? Cs2A Cs2A Cs2C 136(10) 4 . ? Cs2A Cs2A Cs2C 30(7) 4 4 ? Cs2C Cs2A Cs2C 123(4) . 4 ? Cs2A Cs2A O2W 133(9) 4 5_565 ? Cs2C Cs2A O2W 4(3) . 5_565 ? Cs2C Cs2A O2W 122(2) 4 5_565 ? Cs2A Cs2A O2W 41(9) 4 2_654 ? Cs2C Cs2A O2W 118(3) . 2_654 ? Cs2C Cs2A O2W 11.0(15) 4 2_654 ? O2W Cs2A O2W 118.1(10) 5_565 2_654 ? Cs2A Cs2A O4W 124(8) 4 5_565 ? Cs2C Cs2A O4W 12(2) . 5_565 ? Cs2C Cs2A O4W 113(2) 4 5_565 ? O2W Cs2A O4W 9.9(6) 5_565 5_565 ? O2W Cs2A O4W 109.0(9) 2_654 5_565 ? Cs2A Cs2A O4W 50(8) 4 2_654 ? Cs2C Cs2A O4W 110(3) . 2_654 ? Cs2C Cs2A O4W 20.3(16) 4 2_654 ? O2W Cs2A O4W 109.7(9) 5_565 2_654 ? O2W Cs2A O4W 10.0(5) 2_654 2_654 ? O4W Cs2A O4W 101.2(11) 5_565 2_654 ? Cs2A Cs2A Br3 105(9) 4 2_654 ? Cs2C Cs2A Br3 119(3) . 2_654 ? Cs2C Cs2A Br3 107(3) 4 2_654 ? O2W Cs2A Br3 122.0(12) 5_565 2_654 ? O2W Cs2A Br3 104.2(15) 2_654 2_654 ? O4W Cs2A Br3 130.9(12) 5_565 2_654 ? O4W Cs2A Br3 106.3(14) 2_654 2_654 ? Cs2A Cs2A Br4 111(10) 4 . ? Cs2C Cs2A Br4 78(3) . . ? Cs2C Cs2A Br4 82(2) 4 . ? O2W Cs2A Br4 80.9(8) 5_565 . ? O2W Cs2A Br4 71.0(9) 2_654 . ? O4W Cs2A Br4 80.6(8) 5_565 . ? O4W Cs2A Br4 62.6(8) 2_654 . ? Br3 Cs2A Br4 77.3(8) 2_654 . ? Cs2A Cs2A Br3 69(9) 4 5_565 ? Cs2C Cs2A Br3 110(4) . 5_565 ? Cs2C Cs2A Br3 98.5(19) 4 5_565 ? O2W Cs2A Br3 107.4(15) 5_565 5_565 ? O2W Cs2A Br3 109.4(11) 2_654 5_565 ? O4W Cs2A Br3 108.7(14) 5_565 5_565 ? O4W Cs2A Br3 118.7(11) 2_654 5_565 ? Br3 Cs2A Br3 92.5(5) 2_654 5_565 ? Br4 Cs2A Br3 169.4(12) . 5_565 ? Cs2A Cs2A Br1 127(6) 4 5_565 ? Cs2C Cs2A Br1 79(3) . 5_565 ? Cs2C Cs2A Br1 155(2) 4 5_565 ? O2W Cs2A Br1 79.2(11) 5_565 5_565 ? O2W Cs2A Br1 162.7(13) 2_654 5_565 ? O4W Cs2A Br1 88.1(12) 5_565 5_565 ? O4W Cs2A Br1 169.8(15) 2_654 5_565 ? Br3 Cs2A Br1 64.0(4) 2_654 5_565 ? Br4 Cs2A Br1 115.7(9) . 5_565 ? Br3 Cs2A Br1 60.9(5) 5_565 5_565 ? Cs2A Cs2A O3W 114(5) 4 3_675 ? Cs2C Cs2A O3W 26(2) . 3_675 ? Cs2C Cs2A O3W 97.4(18) 4 3_675 ? O2W Cs2A O3W 25.6(6) 5_565 3_675 ? O2W Cs2A O3W 92.5(7) 2_654 3_675 ? O4W Cs2A O3W 17.5(6) 5_565 3_675 ? O4W Cs2A O3W 84.2(7) 2_654 3_675 ? Br3 Cs2A O3W 134.7(10) 2_654 3_675 ? Br4 Cs2A O3W 68.9(5) . 3_675 ? Br3 Cs2A O3W 121.4(13) 5_565 3_675 ? Br1 Cs2A O3W 104.8(11) 5_565 3_675 ? Cs2B O1W Cs2B 16.5(10) 1_545 6_754 ? Cs2B O1W Cs2B 79.2(6) 1_545 2_754 ? Cs2B O1W Cs2B 62.9(10) 6_754 2_754 ? Cs2B O1W Cs2B 62.9(10) 1_545 4_545 ? Cs2B O1W Cs2B 79.2(6) 6_754 4_545 ? Cs2B O1W Cs2B 142.0(12) 2_754 4_545 ? Cs2B O1W Cs2B 67.1(6) 1_545 3_665 ? Cs2B O1W Cs2B 83.5(8) 6_754 3_665 ? Cs2B O1W Cs2B 146.1(7) 2_754 3_665 ? Cs2B O1W Cs2B 5.4(10) 4_545 3_665 ? Cs2B O1W Cs2B 83.5(8) 1_545 5_664 ? Cs2B O1W Cs2B 67.1(6) 6_754 5_664 ? Cs2B O1W Cs2B 5.4(10) 2_754 5_664 ? Cs2B O1W Cs2B 146.1(7) 4_545 5_664 ? Cs2B O1W Cs2B 150.6(9) 3_665 5_664 ? O4W O2W Cs2C 137(3) . 5_665 ? O4W O2W O3W 27(2) . 4_545 ? Cs2C O2W O3W 120.8(13) 5_665 4_545 ? O4W O2W Cs2A 136(2) . 5_665 ? Cs2C O2W Cs2A 2.0(14) 5_665 5_665 ? O3W O2W Cs2A 120.8(10) 4_545 5_665 ? O4W O2W Cs2A 130(2) . 3_665 ? Cs2C O2W Cs2A 8.0(11) 5_665 3_665 ? O3W O2W Cs2A 116.7(10) 4_545 3_665 ? Cs2A O2W Cs2A 6.3(13) 5_665 3_665 ? O4W O2W Cs2B 26(2) . 4_545 ? Cs2C O2W Cs2B 122.6(12) 5_665 4_545 ? O3W O2W Cs2B 2.2(9) 4_545 4_545 ? Cs2A O2W Cs2B 122.7(9) 5_665 4_545 ? Cs2A O2W Cs2B 118.7(9) 3_665 4_545 ? O4W O2W Cs2B 34(2) . 3_665 ? Cs2C O2W Cs2B 108.9(12) 5_665 3_665 ? O3W O2W Cs2B 12.6(7) 4_545 3_665 ? Cs2A O2W Cs2B 108.7(9) 5_665 3_665 ? Cs2A O2W Cs2B 104.3(9) 3_665 3_665 ? Cs2B O2W Cs2B 14.8(9) 4_545 3_665 ? O4W O2W Cs2C 119(2) . 3_665 ? Cs2C O2W Cs2C 18.6(9) 5_665 3_665 ? O3W O2W Cs2C 103.4(10) 4_545 3_665 ? Cs2A O2W Cs2C 17.9(9) 5_665 3_665 ? Cs2A O2W Cs2C 13.3(6) 3_665 3_665 ? Cs2B O2W Cs2C 105.4(8) 4_545 3_665 ? Cs2B O2W Cs2C 91.1(8) 3_665 3_665 ? O4W O2W Cs1 93(2) . . ? Cs2C O2W Cs1 98.6(11) 5_665 . ? O3W O2W Cs1 118.9(9) 4_545 . ? Cs2A O2W Cs1 97.1(10) 5_665 . ? Cs2A O2W Cs1 95.8(10) 3_665 . ? Cs2B O2W Cs1 119.0(8) 4_545 . ? Cs2B O2W Cs1 120.8(9) 3_665 . ? Cs2C O2W Cs1 104.2(6) 3_665 . ? Cs2B O3W Cs2B 44(3) . 6_764 ? Cs2B O3W O4W 162(3) . 4_655 ? Cs2B O3W O4W 147(3) 6_764 4_655 ? Cs2B O3W O3W 40(2) . 6_764 ? Cs2B O3W O3W 33(2) 6_764 6_764 ? O4W O3W O3W 135.8(16) 4_655 6_764 ? Cs2B O3W O2W 173(3) . 4_655 ? Cs2B O3W O2W 143(3) 6_764 4_655 ? O4W O3W O2W 15.3(14) 4_655 4_655 ? O3W O3W O2W 145.7(13) 6_764 4_655 ? Cs2B O3W Cs2C 159(2) . 2_764 ? Cs2B O3W Cs2C 117(2) 6_764 2_764 ? O4W O3W Cs2C 39.1(16) 4_655 2_764 ? O3W O3W Cs2C 133.2(18) 6_764 2_764 ? O2W O3W Cs2C 26.8(7) 4_655 2_764 ? Cs2B O3W Cs2B 48(2) . 4 ? Cs2B O3W Cs2B 89(2) 6_764 4 ? O4W O3W Cs2B 122.9(16) 4_655 4 ? O3W O3W Cs2B 83.9(15) 6_764 4 ? O2W O3W Cs2B 125.3(10) 4_655 4 ? Cs2C O3W Cs2B 142.2(10) 2_764 4 ? Cs2B O3W Cs2B 82(2) . 2_764 ? Cs2B O3W Cs2B 43(2) 6_764 2_764 ? O4W O3W Cs2B 114.8(19) 4_655 2_764 ? O3W O3W Cs2B 72.5(13) 6_764 2_764 ? O2W O3W Cs2B 103.9(11) 4_655 2_764 ? Cs2C O3W Cs2B 77.1(8) 2_764 2_764 ? Cs2B O3W Cs2B 116.1(13) 4 2_764 ? Cs2B O3W Cs2A 152(2) . 2_764 ? Cs2B O3W Cs2A 111(2) 6_764 2_764 ? O4W O3W Cs2A 45.3(16) 4_655 2_764 ? O3W O3W Cs2A 127.7(17) 6_764 2_764 ? O2W O3W Cs2A 33.6(8) 4_655 2_764 ? Cs2C O3W Cs2A 6.9(6) 2_764 2_764 ? Cs2B O3W Cs2A 146.1(10) 4 2_764 ? Cs2B O3W Cs2A 70.4(8) 2_764 2_764 ? Cs2B O3W Cs2A 148(2) . 6_764 ? Cs2B O3W Cs2A 106(2) 6_764 6_764 ? O4W O3W Cs2A 48.6(17) 4_655 6_764 ? O3W O3W Cs2A 122.3(17) 6_764 6_764 ? O2W O3W Cs2A 38.0(8) 4_655 6_764 ? Cs2C O3W Cs2A 11.9(8) 2_764 6_764 ? Cs2B O3W Cs2A 150.7(9) 4 6_764 ? Cs2B O3W Cs2A 66.4(9) 2_764 6_764 ? Cs2A O3W Cs2A 5.4(9) 2_764 6_764 ? Cs2B O3W Cs2C 136(2) . 6_764 ? Cs2B O3W Cs2C 94(2) 6_764 6_764 ? O4W O3W Cs2C 60.2(16) 4_655 6_764 ? O3W O3W Cs2C 113.1(17) 6_764 6_764 ? O2W O3W Cs2C 49.8(8) 4_655 6_764 ? Cs2C O3W Cs2C 23.4(8) 2_764 6_764 ? Cs2B O3W Cs2C 152.3(8) 4 6_764 ? Cs2B O3W Cs2C 54.7(7) 2_764 6_764 ? Cs2A O3W Cs2C 16.5(8) 2_764 6_764 ? Cs2A O3W Cs2C 11.8(5) 6_764 6_764 ? O2W O4W O3W 138(3) . 4_545 ? O2W O4W Cs2B 145(3) . 4_545 ? O3W O4W Cs2B 7.3(13) 4_545 4_545 ? O2W O4W Cs2B 135(3) . 3_665 ? O3W O4W Cs2B 14.4(11) 4_545 3_665 ? Cs2B O4W Cs2B 18.9(12) 4_545 3_665 ? O2W O4W Cs2C 29.5(19) . 5_665 ? O3W O4W Cs2C 119.5(19) 4_545 5_665 ? Cs2B O4W Cs2C 126.7(14) 4_545 5_665 ? Cs2B O4W Cs2C 110.8(13) 3_665 5_665 ? O2W O4W Cs2A 34(2) . 5_665 ? O3W O4W Cs2A 117.2(18) 4_545 5_665 ? Cs2B O4W Cs2A 124.3(13) 4_545 5_665 ? Cs2B O4W Cs2A 107.7(12) 3_665 5_665 ? Cs2C O4W Cs2A 4.6(9) 5_665 5_665 ? O2W O4W Cs2A 40(2) . 3_665 ? O3W O4W Cs2A 114.3(18) 4_545 3_665 ? Cs2B O4W Cs2A 121.2(13) 4_545 3_665 ? Cs2B O4W Cs2A 103.8(12) 3_665 3_665 ? Cs2C O4W Cs2A 10.6(9) 5_665 3_665 ? Cs2A O4W Cs2A 6.0(11) 5_665 3_665 ? O2W O4W Cs2C 51(2) . 3_665 ? O3W O4W Cs2C 102.1(16) 4_545 3_665 ? Cs2B O4W Cs2C 108.9(11) 4_545 3_665 ? Cs2B O4W Cs2C 91.3(11) 3_665 3_665 ? Cs2C O4W Cs2C 21.5(9) 5_665 3_665 ? Cs2A O4W Cs2C 17.3(9) 5_665 3_665 ? Cs2A O4W Cs2C 12.6(5) 3_665 3_665 ? O2W O4W Cs1 76(2) . . ? O3W O4W Cs1 145(2) 4_545 . ? Cs2B O4W Cs1 139.2(14) 4_545 . ? Cs2B O4W Cs1 138.6(14) 3_665 . ? Cs2C O4W Cs1 85.3(11) 5_665 . ? Cs2A O4W Cs1 85.5(10) 5_665 . ? Cs2A O4W Cs1 85.4(10) 3_665 . ? Cs2C O4W Cs1 94.4(8) 3_665 . ? Cs2A Cs2C Cs2A 14(3) . 4 ? Cs2A Cs2C O2W 174(4) . 5_565 ? Cs2A Cs2C O2W 161(2) 4 5_565 ? Cs2A Cs2C Cs2C 33(3) . 4 ? Cs2A Cs2C Cs2C 23.3(18) 4 4 ? O2W Cs2C Cs2C 144.7(13) 5_565 4 ? Cs2A Cs2C O4W 163(3) . 5_565 ? Cs2A Cs2C O4W 149(2) 4 5_565 ? O2W Cs2C O4W 13.3(8) 5_565 5_565 ? Cs2C Cs2C O4W 131.5(12) 4 5_565 ? Cs2A Cs2C O3W 147(3) . 3_675 ? Cs2A Cs2C O3W 136(2) 4 3_675 ? O2W Cs2C O3W 32.4(9) 5_565 3_675 ? Cs2C Cs2C O3W 113.7(7) 4 3_675 ? O4W Cs2C O3W 21.4(8) 5_565 3_675 ? Cs2A Cs2C O2W 48(2) . 2_654 ? Cs2A Cs2C O2W 39.8(19) 4 2_654 ? O2W Cs2C O2W 131.1(16) 5_565 2_654 ? Cs2C Cs2C O2W 16.7(7) 4 2_654 ? O4W Cs2C O2W 118.4(13) 5_565 2_654 ? O3W Cs2C O2W 98.9(9) 3_675 2_654 ? Cs2A Cs2C Br4 89(3) . . ? Cs2A Cs2C Br4 93(3) 4 . ? O2W Cs2C Br4 96.0(12) 5_565 . ? Cs2C Cs2C Br4 79.2(14) 4 . ? O4W Cs2C Br4 94.7(11) 5_565 . ? O3W Cs2C Br4 78.5(7) 3_675 . ? O2W Cs2C Br4 67.5(6) 2_654 . ? Cs2A Cs2C Br1 88(3) . 5_565 ? Cs2A Cs2C Br1 97.4(17) 4 5_565 ? O2W Cs2C Br1 92.5(12) 5_565 5_565 ? Cs2C Cs2C Br1 120.5(5) 4 5_565 ? O4W Cs2C Br1 104.5(11) 5_565 5_565 ? O3W Cs2C Br1 124.8(10) 3_675 5_565 ? O2W Cs2C Br1 136.2(11) 2_654 5_565 ? Br4 Cs2C Br1 119.6(7) . 5_565 ? Cs2A Cs2C Cs2B 133(3) . 4 ? Cs2A Cs2C Cs2B 121(2) 4 4 ? O2W Cs2C Cs2B 46.5(10) 5_565 4 ? Cs2C Cs2C Cs2B 99.4(6) 4 4 ? O4W Cs2C Cs2B 34.6(9) 5_565 4 ? O3W Cs2C Cs2B 14.4(5) 3_675 4 ? O2W Cs2C Cs2B 84.6(8) 2_654 4 ? Br4 Cs2C Cs2B 74.5(7) . 4 ? Br1 Cs2C Cs2B 138.9(10) 5_565 4 ? Cs2A Cs2C O4W 58(2) . 2_654 ? Cs2A Cs2C O4W 50(2) 4 2_654 ? O2W Cs2C O4W 122.3(15) 5_565 2_654 ? Cs2C Cs2C O4W 27.0(8) 4 2_654 ? O4W Cs2C O4W 110.3(14) 5_565 2_654 ? O3W Cs2C O4W 89.9(9) 3_675 2_654 ? O2W Cs2C O4W 10.4(4) 2_654 2_654 ? Br4 Cs2C O4W 60.1(6) . 2_654 ? Br1 Cs2C O4W 145.2(11) 5_565 2_654 ? Cs2B Cs2C O4W 75.9(8) 4 2_654 ? Cs2A Cs2C Br4 93(3) . 4 ? Cs2A Cs2C Br4 79.6(19) 4 4 ? O2W Cs2C Br4 81.4(11) 5_565 4 ? Cs2C Cs2C Br4 72.3(14) 4 4 ? O4W Cs2C Br4 70.9(9) 5_565 4 ? O3W Cs2C Br4 69.1(6) 3_675 4 ? O2W Cs2C Br4 71.7(5) 2_654 4 ? Br4 Cs2C Br4 122.0(7) . 4 ? Br1 Cs2C Br4 118.4(7) 5_565 4 ? Cs2B Cs2C Br4 62.2(6) 4 4 ? O4W Cs2C Br4 72.8(6) 2_654 4 ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 30.62 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 2.406 _refine_diff_density_min -2.740 _refine_diff_density_rms 0.367