data_vl18_0m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C11 H15.30 B11 Cl10 Cs N3 O1.15' _chemical_formula_weight 814.32 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' 'N' 'N' 0.0061 0.0033 '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' 'Cl' 'Cl' 0.1484 0.1585 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 10.1064(3) _cell_length_b 16.4179(5) _cell_length_c 17.9612(5) _cell_angle_alpha 90.00 _cell_angle_beta 99.2690(10) _cell_angle_gamma 90.00 _cell_volume 2941.31(15) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9770 _cell_measurement_theta_min 2.39 _cell_measurement_theta_max 31.28 _exptl_crystal_description 'prism frag' _exptl_crystal_colour colourless _exptl_crystal_size_max 0.34 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.839 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1566 _exptl_absorpt_coefficient_mu 2.185 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5246 _exptl_absorpt_correction_T_max 0.8967 _exptl_absorpt_process_details 'Bruker SADABS' _exptl_special_details ; ? ; _iucr_refine_instructions_details ; TITL vL18_0m in P2(1)/c CELL 0.71073 10.1064 16.4179 17.9612 90.000 99.269 90.000 ZERR 4.00 0.0003 0.0005 0.0005 0.000 0.001 0.000 LATT 1 SYMM -X, 0.5+Y, 0.5-Z SFAC C H B N O Cl Cs UNIT 44 61.21 44 12 4.61 40 4 L.S. 12 ACTA BOND $H FMAP 2 PLAN 20 CONF DAMP 300 EADP O2W O1W SIZE 0.051 0.146 0.339 SIMU O1W Cs1W O2W DELU O1W Cs1W O2W ISOR O1W O2W DFIX 1.34 0.01 H1W H2W DFIX 0.85 0.01 O1W H1W O1W H2W DFIX 1.34 0.01 H3W H4W DFIX 0.85 0.01 O2W H3W O2W H4W SHEL 99 0.72 FREE Cs1 H5C TEMP -173 WGHT 0.021200 1.894500 FVAR 0.07090 0.05411 0.09750 PART 4 O2W 5 0.248662 0.356115 0.314939 31.00000 0.03493 0.05101 = 0.03944 -0.00846 0.00481 0.02158 H3W 2 0.264514 0.361430 0.270127 31.00000 -1.20000 H4W 2 0.168432 0.338772 0.309287 31.00000 -1.20000 PART 3 O1W 5 0.254183 0.329563 0.349350 21.00000 0.03493 0.05101 = 0.03944 -0.00846 0.00481 0.02158 H1W 2 0.323454 0.332661 0.383082 21.00000 -1.20000 H2W 2 0.274440 0.357681 0.313052 21.00000 -1.20000 PART 2 CS1W 7 0.369837 0.244788 0.441552 10.08000 0.02930 0.02206 = 0.02905 -0.00823 0.00702 -0.00350 PART 1 CS1 7 0.338337 0.269838 0.431338 10.92000 0.02541 0.02860 = 0.02116 -0.00769 0.00816 -0.00668 C1S 1 0.262215 0.055486 0.352499 11.00000 0.02492 0.02289 = 0.02248 -0.00233 0.00374 -0.00220 AFIX 33 H1A 2 0.250796 0.007968 0.319058 11.00000 -1.50000 H1B 2 0.356498 0.072277 0.360848 11.00000 -1.50000 H1C 2 0.206323 0.100334 0.329183 11.00000 -1.50000 AFIX 0 C2S 1 0.220963 0.033890 0.426535 11.00000 0.05649 0.01942 = 0.02937 -0.00086 0.01569 -0.00183 AFIX 23 H2A 2 0.128079 0.012637 0.418120 11.00000 -1.20000 H2B 2 0.280835 -0.008949 0.451943 11.00000 -1.20000 AFIX 0 O3S 5 0.228919 0.105100 0.472779 11.00000 0.02915 0.02270 = 0.01739 0.00096 0.00603 0.00212 C4S 1 0.180676 0.090712 0.541537 11.00000 0.07491 0.02755 = 0.03014 0.00490 0.02830 0.00485 AFIX 23 H4A 2 0.241992 0.053012 0.573382 11.00000 -1.20000 H4B 2 0.091070 0.064919 0.530957 11.00000 -1.20000 AFIX 0 C5S 1 0.171596 0.168809 0.582443 11.00000 0.03241 0.03526 = 0.02340 -0.00122 0.00724 0.00753 AFIX 33 H5A 2 0.139616 0.158130 0.630204 11.00000 -1.50000 H5B 2 0.108851 0.205421 0.551401 11.00000 -1.50000 H5C 2 0.260341 0.194312 0.592666 11.00000 -1.50000 AFIX 0 C1 1 0.608407 0.184544 0.150951 11.00000 0.01247 0.01482 = 0.01201 0.00096 0.00126 -0.00124 B1 3 0.741267 0.122847 0.158941 11.00000 0.01361 0.01404 = 0.01137 0.00039 0.00152 0.00030 B2 3 0.617552 0.107551 0.219010 11.00000 0.01491 0.01391 = 0.01265 0.00092 0.00181 -0.00171 B3 3 0.552146 0.206506 0.233979 11.00000 0.01189 0.01588 = 0.01317 0.00071 0.00213 -0.00047 B4 3 0.639296 0.281574 0.186444 11.00000 0.01383 0.01388 = 0.01443 0.00227 0.00167 0.00019 B5 3 0.761493 0.230026 0.141464 11.00000 0.01253 0.01477 = 0.01280 0.00181 0.00155 -0.00077 B6 3 0.878453 0.178977 0.209263 11.00000 0.01180 0.01553 = 0.01291 0.00018 0.00168 -0.00005 B7 3 0.790383 0.103760 0.257154 11.00000 0.01486 0.01221 = 0.01193 0.00094 0.00199 0.00090 B8 3 0.671582 0.158413 0.304627 11.00000 0.01299 0.01357 = 0.01277 0.00088 0.00200 -0.00030 B9 3 0.684346 0.264929 0.285474 11.00000 0.01294 0.01241 = 0.01394 -0.00077 0.00180 0.00070 B10 3 0.812776 0.278547 0.228430 11.00000 0.01294 0.01371 = 0.01401 0.00005 0.00167 -0.00122 B11 3 0.832797 0.201261 0.299696 11.00000 0.01313 0.01296 = 0.01201 -0.00039 0.00121 0.00077 CL1 6 0.510402 0.022587 0.204694 11.00000 0.02175 0.01668 = 0.01846 -0.00013 0.00217 -0.00822 CL2 6 0.379579 0.219494 0.237463 11.00000 0.01128 0.02633 = 0.01873 0.00205 0.00308 0.00047 CL3 6 0.550829 0.365806 0.142743 11.00000 0.01905 0.01669 = 0.02433 0.00686 0.00146 0.00438 CL4 6 0.791074 0.262057 0.052046 11.00000 0.01912 0.02353 = 0.01294 0.00527 0.00369 -0.00143 CL5 6 1.048188 0.166542 0.197494 11.00000 0.01204 0.02510 = 0.01650 0.00001 0.00362 0.00186 CL6 6 0.868305 0.013020 0.295493 11.00000 0.02518 0.01504 = 0.01627 0.00349 0.00327 0.00656 CL7 6 0.627656 0.123231 0.391111 11.00000 0.01995 0.02147 = 0.01228 0.00292 0.00467 -0.00135 CL8 6 0.653300 0.338830 0.353392 11.00000 0.02078 0.01612 = 0.01852 -0.00440 0.00388 0.00285 CL9 6 0.915246 0.366769 0.234808 11.00000 0.01941 0.01553 = 0.02193 0.00044 0.00248 -0.00641 CL10 6 0.955974 0.209437 0.382045 11.00000 0.01509 0.02156 = 0.01265 -0.00158 -0.00182 -0.00009 N1 4 0.528358 0.163744 0.079323 11.00000 0.01500 0.01883 = 0.01292 0.00080 0.00074 -0.00205 N2 4 0.584998 0.106469 0.047492 11.00000 0.01625 0.01919 = 0.01452 0.00089 0.00112 -0.00159 N3 4 0.702478 0.078913 0.086251 11.00000 0.01548 0.01602 = 0.01191 -0.00101 0.00034 0.00023 C2 1 0.769647 0.014959 0.054110 11.00000 0.01907 0.01460 = 0.01235 -0.00171 0.00492 -0.00246 C3 1 0.721136 -0.015180 -0.017787 11.00000 0.01823 0.01967 = 0.01490 -0.00317 0.00262 -0.00407 AFIX 43 H3 2 0.640669 0.005721 -0.045953 11.00000 -1.20000 AFIX 0 C4 1 0.792229 -0.076132 -0.047493 11.00000 0.02517 0.02321 = 0.01702 -0.00768 0.00607 -0.00507 AFIX 43 H4 2 0.760167 -0.096785 -0.096486 11.00000 -1.20000 AFIX 0 C5 1 0.909889 -0.107434 -0.006490 11.00000 0.02627 0.01643 = 0.02046 -0.00369 0.00960 -0.00217 AFIX 43 H5 2 0.958148 -0.148916 -0.027444 11.00000 -1.20000 AFIX 0 C6 1 0.956025 -0.077542 0.065192 11.00000 0.02351 0.01939 = 0.01862 0.00092 0.00510 0.00192 AFIX 43 H6 2 1.035820 -0.099038 0.093586 11.00000 -1.20000 AFIX 0 C7 1 0.886422 -0.016406 0.095777 11.00000 0.02277 0.01999 = 0.01460 -0.00247 0.00186 0.00143 AFIX 43 H7 2 0.918424 0.003883 0.144913 11.00000 -1.20000 PART 0 HKLF 4 REM vL18_0m in P2(1)/c REM R1 = 0.0198 for 7416 Fo > 4sig(Fo) and 0.0236 for all 8225 data REM 369 parameters refined using 24 restraints END ; _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 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 90474 _diffrn_reflns_av_R_equivalents 0.0320 _diffrn_reflns_av_sigmaI/netI 0.0148 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.69 _diffrn_reflns_theta_max 29.57 _reflns_number_total 8225 _reflns_number_gt 7416 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0212P)^2^+1.8945P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8225 _refine_ls_number_parameters 369 _refine_ls_number_restraints 24 _refine_ls_R_factor_all 0.0236 _refine_ls_R_factor_gt 0.0198 _refine_ls_wR_factor_ref 0.0485 _refine_ls_wR_factor_gt 0.0470 _refine_ls_goodness_of_fit_ref 1.045 _refine_ls_restrained_S_all 1.043 _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 O2W O 0.2487(11) 0.3561(9) 0.3149(6) 0.042(4) Uani 0.097(4) 1 d PDU A 4 H3W H 0.265(2) 0.361(6) 0.2701(10) 0.050 Uiso 0.097(4) 1 d PD A 4 H4W H 0.168(2) 0.339(5) 0.309(3) 0.050 Uiso 0.097(4) 1 d PD A 4 O1W O 0.2542(16) 0.3296(13) 0.3493(10) 0.042(4) Uani 0.054(3) 1 d PDU B 3 H1W H 0.323(3) 0.333(4) 0.3831(19) 0.050 Uiso 0.054(3) 1 d PD B 3 H2W H 0.274(7) 0.358(5) 0.313(3) 0.050 Uiso 0.054(3) 1 d PD B 3 Cs1W Cs 0.36984(15) 0.24479(9) 0.44155(8) 0.0265(3) Uani 0.08 1 d P C 2 Cs1 Cs 0.338337(12) 0.269838(8) 0.431338(7) 0.02457(3) Uani 0.92 1 d P . 1 C1S C 0.26221(15) 0.05549(9) 0.35250(8) 0.0234(3) Uani 1 1 d . D 1 H1A H 0.2508 0.0080 0.3191 0.035 Uiso 1 1 calc R D 1 H1B H 0.3565 0.0723 0.3608 0.035 Uiso 1 1 calc R D 1 H1C H 0.2063 0.1003 0.3292 0.035 Uiso 1 1 calc R D 1 C2S C 0.2210(2) 0.03389(10) 0.42654(9) 0.0341(4) Uani 1 1 d . D 1 H2A H 0.1281 0.0126 0.4181 0.041 Uiso 1 1 calc R D 1 H2B H 0.2808 -0.0089 0.4519 0.041 Uiso 1 1 calc R D 1 O3S O 0.22892(10) 0.10510(6) 0.47278(5) 0.0228(2) Uani 1 1 d . D 1 C4S C 0.1807(2) 0.09071(11) 0.54154(10) 0.0420(4) Uani 1 1 d . D 1 H4A H 0.2420 0.0530 0.5734 0.050 Uiso 1 1 calc R D 1 H4B H 0.0911 0.0649 0.5310 0.050 Uiso 1 1 calc R D 1 C5S C 0.17160(16) 0.16881(10) 0.58244(9) 0.0301(3) Uani 1 1 d . D 1 H5A H 0.1396 0.1581 0.6302 0.045 Uiso 1 1 calc R D 1 H5B H 0.1089 0.2054 0.5514 0.045 Uiso 1 1 calc R D 1 H5C H 0.2603 0.1943 0.5927 0.045 Uiso 1 1 calc R D 1 C1 C 0.60841(12) 0.18454(7) 0.15095(7) 0.0132(2) Uani 1 1 d . . 1 B1 B 0.74127(14) 0.12285(8) 0.15894(7) 0.0131(2) Uani 1 1 d . . 1 B2 B 0.61755(14) 0.10755(8) 0.21901(7) 0.0139(3) Uani 1 1 d . . 1 B3 B 0.55215(13) 0.20651(9) 0.23398(8) 0.0136(3) Uani 1 1 d . . 1 B4 B 0.63930(14) 0.28157(8) 0.18644(8) 0.0141(3) Uani 1 1 d . . 1 B5 B 0.76149(14) 0.23003(8) 0.14146(8) 0.0134(3) Uani 1 1 d . . 1 B6 B 0.87845(13) 0.17898(8) 0.20926(7) 0.0134(3) Uani 1 1 d . . 1 B7 B 0.79038(14) 0.10376(8) 0.25715(7) 0.0130(2) Uani 1 1 d . . 1 B8 B 0.67158(13) 0.15841(8) 0.30463(7) 0.0131(2) Uani 1 1 d . . 1 B9 B 0.68435(13) 0.26493(8) 0.28547(8) 0.0131(3) Uani 1 1 d . . 1 B10 B 0.81278(14) 0.27855(8) 0.22843(8) 0.0136(3) Uani 1 1 d . . 1 B11 B 0.83280(13) 0.20126(8) 0.29970(7) 0.0128(2) Uani 1 1 d . . 1 Cl1 Cl 0.51040(3) 0.022587(19) 0.204694(17) 0.01908(6) Uani 1 1 d . . 1 Cl2 Cl 0.37958(3) 0.21949(2) 0.237463(17) 0.01871(6) Uani 1 1 d . . 1 Cl3 Cl 0.55083(3) 0.365806(19) 0.142743(18) 0.02025(6) Uani 1 1 d . . 1 Cl4 Cl 0.79107(3) 0.26206(2) 0.052046(16) 0.01841(6) Uani 1 1 d . . 1 Cl5 Cl 1.04819(3) 0.16654(2) 0.197494(17) 0.01774(6) Uani 1 1 d . . 1 Cl6 Cl 0.86831(3) 0.013020(18) 0.295493(17) 0.01884(6) Uani 1 1 d . . 1 Cl7 Cl 0.62766(3) 0.123231(19) 0.391111(16) 0.01767(6) Uani 1 1 d . . 1 Cl8 Cl 0.65330(3) 0.338830(19) 0.353392(17) 0.01839(6) Uani 1 1 d . . 1 Cl9 Cl 0.91525(3) 0.366769(19) 0.234808(18) 0.01905(6) Uani 1 1 d . . 1 Cl10 Cl 0.95597(3) 0.209437(19) 0.382045(16) 0.01688(6) Uani 1 1 d . . 1 N1 N 0.52836(11) 0.16374(7) 0.07932(6) 0.0157(2) Uani 1 1 d . . 1 N2 N 0.58500(11) 0.10647(7) 0.04749(6) 0.0168(2) Uani 1 1 d . . 1 N3 N 0.70248(11) 0.07891(7) 0.08625(6) 0.0147(2) Uani 1 1 d . . 1 C2 C 0.76965(13) 0.01496(8) 0.05411(7) 0.0151(2) Uani 1 1 d . . 1 C3 C 0.72114(13) -0.01518(8) -0.01779(7) 0.0176(3) Uani 1 1 d . . 1 H3 H 0.6407 0.0057 -0.0460 0.021 Uiso 1 1 calc R . 1 C4 C 0.79223(14) -0.07613(9) -0.04749(8) 0.0215(3) Uani 1 1 d . . 1 H4 H 0.7602 -0.0968 -0.0965 0.026 Uiso 1 1 calc R . 1 C5 C 0.90989(14) -0.10743(8) -0.00649(7) 0.0204(3) Uani 1 1 d . . 1 H5 H 0.9581 -0.1489 -0.0274 0.024 Uiso 1 1 calc R . 1 C6 C 0.95602(14) -0.07754(8) 0.06519(7) 0.0203(3) Uani 1 1 d . . 1 H6 H 1.0358 -0.0990 0.0936 0.024 Uiso 1 1 calc R . 1 C7 C 0.88642(14) -0.01641(8) 0.09578(7) 0.0192(3) Uani 1 1 d . . 1 H7 H 0.9184 0.0039 0.1449 0.023 Uiso 1 1 calc R . 1 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 O2W 0.035(5) 0.051(8) 0.039(8) -0.008(6) 0.005(6) 0.022(5) O1W 0.035(5) 0.051(8) 0.039(8) -0.008(6) 0.005(6) 0.022(5) Cs1W 0.0293(6) 0.0221(6) 0.0291(6) -0.0082(5) 0.0070(5) -0.0035(5) Cs1 0.02541(6) 0.02860(6) 0.02116(5) -0.00769(4) 0.00816(4) -0.00668(5) C1S 0.0249(7) 0.0229(7) 0.0225(6) -0.0023(5) 0.0037(5) -0.0022(5) C2S 0.0565(10) 0.0194(7) 0.0294(7) -0.0009(6) 0.0157(7) -0.0018(7) O3S 0.0292(5) 0.0227(5) 0.0174(4) 0.0010(4) 0.0060(4) 0.0021(4) C4S 0.0749(12) 0.0275(8) 0.0301(8) 0.0049(6) 0.0283(8) 0.0049(8) C5S 0.0324(8) 0.0353(8) 0.0234(7) -0.0012(6) 0.0072(6) 0.0075(6) C1 0.0125(5) 0.0148(5) 0.0120(5) 0.0010(4) 0.0013(4) -0.0012(4) B1 0.0136(6) 0.0140(6) 0.0114(5) 0.0004(5) 0.0015(4) 0.0003(5) B2 0.0149(6) 0.0139(6) 0.0126(6) 0.0009(5) 0.0018(5) -0.0017(5) B3 0.0119(6) 0.0159(6) 0.0132(6) 0.0007(5) 0.0021(5) -0.0005(5) B4 0.0138(6) 0.0139(6) 0.0144(6) 0.0023(5) 0.0017(5) 0.0002(5) B5 0.0125(6) 0.0148(6) 0.0128(5) 0.0018(5) 0.0016(5) -0.0008(5) B6 0.0118(6) 0.0155(6) 0.0129(6) 0.0002(5) 0.0017(5) -0.0001(5) B7 0.0149(6) 0.0122(6) 0.0119(5) 0.0009(4) 0.0020(5) 0.0009(5) B8 0.0130(6) 0.0136(6) 0.0128(6) 0.0009(5) 0.0020(5) -0.0003(5) B9 0.0129(6) 0.0124(6) 0.0139(6) -0.0008(5) 0.0018(5) 0.0007(5) B10 0.0129(6) 0.0137(6) 0.0140(6) 0.0000(5) 0.0017(5) -0.0012(5) B11 0.0131(6) 0.0130(6) 0.0120(5) -0.0004(4) 0.0012(5) 0.0008(5) Cl1 0.02175(14) 0.01668(13) 0.01846(13) -0.00013(11) 0.00217(11) -0.00822(11) Cl2 0.01128(12) 0.02633(15) 0.01873(13) 0.00205(11) 0.00308(10) 0.00047(11) Cl3 0.01905(14) 0.01669(13) 0.02433(14) 0.00686(11) 0.00146(11) 0.00438(11) Cl4 0.01912(13) 0.02353(14) 0.01294(12) 0.00527(11) 0.00369(10) -0.00143(11) Cl5 0.01204(12) 0.02510(15) 0.01650(13) 0.00001(11) 0.00362(10) 0.00186(11) Cl6 0.02518(14) 0.01504(13) 0.01627(13) 0.00349(10) 0.00327(11) 0.00656(11) Cl7 0.01995(13) 0.02147(14) 0.01228(12) 0.00292(10) 0.00467(10) -0.00135(11) Cl8 0.02078(14) 0.01612(13) 0.01852(13) -0.00440(11) 0.00388(11) 0.00285(11) Cl9 0.01941(14) 0.01553(13) 0.02193(14) 0.00044(11) 0.00248(11) -0.00641(11) Cl10 0.01509(13) 0.02156(14) 0.01265(12) -0.00158(10) -0.00182(10) -0.00009(11) N1 0.0150(5) 0.0188(5) 0.0129(4) 0.0008(4) 0.0007(4) -0.0020(4) N2 0.0162(5) 0.0192(5) 0.0145(5) 0.0009(4) 0.0011(4) -0.0016(4) N3 0.0155(5) 0.0160(5) 0.0119(4) -0.0010(4) 0.0003(4) 0.0002(4) C2 0.0191(5) 0.0146(5) 0.0123(5) -0.0017(4) 0.0049(4) -0.0025(4) C3 0.0182(6) 0.0197(6) 0.0149(5) -0.0032(5) 0.0026(4) -0.0041(5) C4 0.0252(6) 0.0232(6) 0.0170(6) -0.0077(5) 0.0061(5) -0.0051(5) C5 0.0263(6) 0.0164(6) 0.0205(6) -0.0037(5) 0.0096(5) -0.0022(5) C6 0.0235(6) 0.0194(6) 0.0186(6) 0.0009(5) 0.0051(5) 0.0019(5) C7 0.0228(6) 0.0200(6) 0.0146(5) -0.0025(5) 0.0019(5) 0.0014(5) _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 O2W H3W 0.850(10) . ? O2W H4W 0.850(10) . ? O2W H1W 1.39(3) . ? O2W H2W 0.27(7) . ? O1W H4W 1.04(4) . ? O1W H1W 0.850(10) . ? O1W H2W 0.850(10) . ? Cs1W H4W 3.26(5) . ? Cs1W H1W 1.80(5) . ? Cs1W H2W 3.00(4) . ? Cs1 O3S 3.0589(10) . ? Cs1 N1 3.2090(10) 4_566 ? Cs1 N2 3.6077(11) 4_566 ? Cs1 C5 3.6423(13) 2_655 ? Cs1 C4 3.6573(14) 2_655 ? Cs1 Cl2 3.6675(3) . ? Cs1 C5S 3.7987(16) . ? Cs1 C1S 3.8250(14) . ? Cs1 Cl8 3.8485(4) . ? Cs1 C6 3.8977(14) 2_655 ? Cs1 Cl7 3.9428(4) . ? Cs1 Cl10 3.9494(3) 1_455 ? Cs1 H3W 3.24(4) . ? Cs1 H4W 2.80(5) . ? Cs1 H1W 1.34(5) . ? Cs1 H2W 2.56(3) . ? C1S C2S 1.499(2) . ? C1S H1A 0.9800 . ? C1S H1B 0.9800 . ? C1S H1C 0.9800 . ? C2S O3S 1.4289(18) . ? C2S H2A 0.9900 . ? C2S H2B 0.9900 . ? O3S C4S 1.4187(19) . ? C4S C5S 1.488(2) . ? C4S H4A 0.9900 . ? C4S H4B 0.9900 . ? C5S H5A 0.9800 . ? C5S H5B 0.9800 . ? C5S H5C 0.9800 . ? C1 N1 1.4460(15) . ? C1 B1 1.6696(18) . ? C1 B3 1.7177(18) . ? C1 B4 1.7255(18) . ? C1 B2 1.7505(18) . ? C1 B5 1.7508(18) . ? B1 N3 1.4878(16) . ? B1 B7 1.7816(19) . ? B1 B6 1.7846(19) . ? B1 B2 1.7958(19) . ? B1 B5 1.8048(19) . ? B2 B8 1.7578(19) . ? B2 Cl1 1.7592(14) . ? B2 B7 1.7716(19) . ? B2 B3 1.791(2) . ? B3 Cl2 1.7681(14) . ? B3 B9 1.7783(19) . ? B3 B8 1.7881(19) . ? B3 B4 1.807(2) . ? B4 Cl3 1.7612(14) . ? B4 B9 1.7846(19) . ? B4 B5 1.793(2) . ? B4 B10 1.7942(19) . ? B5 B10 1.7556(19) . ? B5 Cl4 1.7607(14) . ? B5 B6 1.7660(19) . ? B6 Cl5 1.7736(14) . ? B6 B11 1.7962(19) . ? B6 B7 1.818(2) . ? B6 B10 1.818(2) . ? B7 Cl6 1.7717(14) . ? B7 B11 1.7957(19) . ? B7 B8 1.8176(19) . ? B8 Cl7 1.7793(14) . ? B8 B11 1.7899(19) . ? B8 B9 1.7909(19) . ? B9 Cl8 1.7838(14) . ? B9 B10 1.792(2) . ? B9 B11 1.8126(19) . ? B10 Cl9 1.7735(14) . ? B10 B11 1.7905(19) . ? B11 Cl10 1.7783(13) . ? Cl10 Cs1 3.9494(3) 1_655 ? N1 N2 1.2823(15) . ? N1 Cs1 3.2090(10) 4_565 ? N2 N3 1.3538(15) . ? N2 Cs1 3.6077(11) 4_565 ? N3 C2 1.4222(16) . ? C2 C7 1.3905(18) . ? C2 C3 1.3960(17) . ? C3 C4 1.3877(19) . ? C3 H3 0.9500 . ? C4 C5 1.392(2) . ? C4 Cs1 3.6573(14) 2_645 ? C4 H4 0.9500 . ? C5 C6 1.3865(18) . ? C5 Cs1 3.6423(13) 2_645 ? C5 H5 0.9500 . ? C6 C7 1.3887(18) . ? C6 Cs1 3.8977(14) 2_645 ? C6 H6 0.9500 . ? C7 H7 0.9500 . ? 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 H3W O2W H4W 104.1(16) . . ? H3W O2W H1W 135(3) . . ? H4W O2W H1W 113(4) . . ? H3W O2W H2W 62(9) . . ? H4W O2W H2W 160(10) . . ? H1W O2W H2W 75(6) . . ? H4W O1W H1W 168(6) . . ? H4W O1W H2W 71(5) . . ? H1W O1W H2W 104.0(16) . . ? H4W Cs1W H1W 28.6(14) . . ? H4W Cs1W H2W 19.8(11) . . ? H1W Cs1W H2W 15(2) . . ? O3S Cs1 N1 106.89(3) . 4_566 ? O3S Cs1 N2 126.88(3) . 4_566 ? N1 Cs1 N2 20.63(3) 4_566 4_566 ? O3S Cs1 C5 95.82(3) . 2_655 ? N1 Cs1 C5 82.01(3) 4_566 2_655 ? N2 Cs1 C5 85.83(3) 4_566 2_655 ? O3S Cs1 C4 107.14(3) . 2_655 ? N1 Cs1 C4 61.01(3) 4_566 2_655 ? N2 Cs1 C4 63.90(3) 4_566 2_655 ? C5 Cs1 C4 21.99(3) 2_655 2_655 ? O3S Cs1 Cl2 97.620(19) . . ? N1 Cs1 Cl2 135.94(2) 4_566 . ? N2 Cs1 Cl2 120.153(18) 4_566 . ? C5 Cs1 Cl2 131.83(2) 2_655 . ? C4 Cs1 Cl2 143.52(2) 2_655 . ? O3S Cs1 C5S 38.81(3) . . ? N1 Cs1 C5S 80.31(3) 4_566 . ? N2 Cs1 C5S 100.22(3) 4_566 . ? C5 Cs1 C5S 64.25(3) 2_655 . ? C4 Cs1 C5S 69.64(3) 2_655 . ? Cl2 Cs1 C5S 135.34(3) . . ? O3S Cs1 C1S 38.52(3) . . ? N1 Cs1 C1S 132.62(3) 4_566 . ? N2 Cs1 C1S 144.20(3) 4_566 . ? C5 Cs1 C1S 122.46(3) 2_655 . ? C4 Cs1 C1S 141.06(3) 2_655 . ? Cl2 Cs1 C1S 59.20(2) . . ? C5S Cs1 C1S 77.11(3) . . ? O3S Cs1 Cl8 134.54(2) . . ? N1 Cs1 Cl8 77.38(2) 4_566 . ? N2 Cs1 Cl8 60.641(18) 4_566 . ? C5 Cs1 Cl8 129.15(2) 2_655 . ? C4 Cs1 Cl8 113.55(2) 2_655 . ? Cl2 Cs1 Cl8 59.587(7) . . ? C5S Cs1 Cl8 151.22(2) . . ? C1S Cs1 Cl8 105.36(2) . . ? O3S Cs1 C6 104.94(3) . 2_655 ? N1 Cs1 C6 97.17(3) 4_566 2_655 ? N2 Cs1 C6 94.99(3) 4_566 2_655 ? C5 Cs1 C6 20.84(3) 2_655 2_655 ? C4 Cs1 C6 36.86(3) 2_655 2_655 ? Cl2 Cs1 C6 111.34(2) . 2_655 ? C5S Cs1 C6 80.89(3) . 2_655 ? C1S Cs1 C6 119.27(3) . 2_655 ? Cl8 Cs1 C6 119.65(2) . 2_655 ? O3S Cs1 Cl7 79.20(2) . . ? N1 Cs1 Cl7 89.81(2) 4_566 . ? N2 Cs1 Cl7 89.190(18) 4_566 . ? C5 Cs1 Cl7 168.82(2) 2_655 . ? C4 Cs1 Cl7 150.81(2) 2_655 . ? Cl2 Cs1 Cl7 59.161(7) . . ? C5S Cs1 Cl7 106.96(2) . . ? C1S Cs1 Cl7 58.76(2) . . ? Cl8 Cs1 Cl7 55.373(7) . . ? C6 Cs1 Cl7 170.34(2) 2_655 . ? O3S Cs1 Cl10 56.88(2) . 1_455 ? N1 Cs1 Cl10 134.78(2) 4_566 1_455 ? N2 Cs1 Cl10 146.199(18) 4_566 1_455 ? C5 Cs1 Cl10 60.96(2) 2_655 1_455 ? C4 Cs1 Cl10 82.62(2) 2_655 1_455 ? Cl2 Cs1 Cl10 89.272(7) . 1_455 ? C5S Cs1 Cl10 61.31(2) . 1_455 ? C1S Cs1 Cl10 63.56(2) . 1_455 ? Cl8 Cs1 Cl10 146.006(7) . 1_455 ? C6 Cs1 Cl10 56.17(2) 2_655 1_455 ? Cl7 Cs1 Cl10 122.232(7) . 1_455 ? O3S Cs1 H3W 126.0(14) . . ? N1 Cs1 H3W 127.1(15) 4_566 . ? N2 Cs1 H3W 107.1(14) 4_566 . ? C5 Cs1 H3W 90.1(12) 2_655 . ? C4 Cs1 H3W 97.8(15) 2_655 . ? Cl2 Cs1 H3W 45.7(15) . . ? C5S Cs1 H3W 140.9(4) . . ? C1S Cs1 H3W 95.3(17) . . ? Cl8 Cs1 H3W 67.9(4) . . ? C6 Cs1 H3W 69.5(11) 2_655 . ? Cl7 Cs1 H3W 101.0(11) . . ? Cl10 Cs1 H3W 80.8(6) 1_455 . ? O3S Cs1 H4W 110.4(10) . . ? N1 Cs1 H4W 136.2(14) 4_566 . ? N2 Cs1 H4W 120.4(12) 4_566 . ? C5 Cs1 H4W 72.2(12) 2_655 . ? C4 Cs1 H4W 86.3(14) 2_655 . ? Cl2 Cs1 H4W 59.8(13) . . ? C5S Cs1 H4W 116.7(5) . . ? C1S Cs1 H4W 91.2(14) . . ? Cl8 Cs1 H4W 92.0(5) . . ? C6 Cs1 H4W 51.6(13) 2_655 . ? Cl7 Cs1 H4W 118.9(12) . . ? Cl10 Cs1 H4W 58.1(6) 1_455 . ? H3W Cs1 H4W 24.2(4) . . ? O3S Cs1 H1W 146.2(13) . . ? N1 Cs1 H1W 105.3(16) 4_566 . ? N2 Cs1 H1W 86.3(14) 4_566 . ? C5 Cs1 H1W 79(2) 2_655 . ? C4 Cs1 H1W 80(2) 2_655 . ? Cl2 Cs1 H1W 65(2) . . ? C5S Cs1 H1W 141(2) . . ? C1S Cs1 H1W 118.3(19) . . ? Cl8 Cs1 H1W 63.3(16) . . ? C6 Cs1 H1W 61(2) 2_655 . ? Cl7 Cs1 H1W 111(2) . . ? Cl10 Cs1 H1W 92.5(12) 1_455 . ? H3W Cs1 H1W 23(3) . . ? H4W Cs1 H1W 36.0(15) . . ? O3S Cs1 H2W 130.3(15) . . ? N1 Cs1 H2W 122.2(16) 4_566 . ? N2 Cs1 H2W 102.8(15) 4_566 . ? C5 Cs1 H2W 84(2) 2_655 . ? C4 Cs1 H2W 91(2) 2_655 . ? Cl2 Cs1 H2W 53(2) . . ? C5S Cs1 H2W 139.1(15) . . ? C1S Cs1 H2W 102(2) . . ? Cl8 Cs1 H2W 69.2(14) . . ? C6 Cs1 H2W 64(2) 2_655 . ? Cl7 Cs1 H2W 107(2) . . ? Cl10 Cs1 H2W 81.3(12) 1_455 . ? H3W Cs1 H2W 7(3) . . ? H4W Cs1 H2W 23.3(14) . . ? H1W Cs1 H2W 17(3) . . ? C2S C1S Cs1 87.55(8) . . ? C2S C1S H1A 109.5 . . ? Cs1 C1S H1A 163.0 . . ? C2S C1S H1B 109.5 . . ? Cs1 C1S H1B 63.4 . . ? H1A C1S H1B 109.5 . . ? C2S C1S H1C 109.5 . . ? Cs1 C1S H1C 62.3 . . ? H1A C1S H1C 109.5 . . ? H1B C1S H1C 109.5 . . ? O3S C2S C1S 108.94(12) . . ? O3S C2S H2A 109.9 . . ? C1S C2S H2A 109.9 . . ? O3S C2S H2B 109.9 . . ? C1S C2S H2B 109.9 . . ? H2A C2S H2B 108.3 . . ? C4S O3S C2S 112.01(12) . . ? C4S O3S Cs1 123.19(9) . . ? C2S O3S Cs1 124.80(8) . . ? O3S C4S C5S 110.09(14) . . ? O3S C4S H4A 109.6 . . ? C5S C4S H4A 109.6 . . ? O3S C4S H4B 109.6 . . ? C5S C4S H4B 109.6 . . ? H4A C4S H4B 108.2 . . ? C4S C5S Cs1 87.35(9) . . ? C4S C5S H5A 109.5 . . ? Cs1 C5S H5A 161.9 . . ? C4S C5S H5B 109.5 . . ? Cs1 C5S H5B 69.3 . . ? H5A C5S H5B 109.5 . . ? C4S C5S H5C 109.5 . . ? Cs1 C5S H5C 56.6 . . ? H5A C5S H5C 109.5 . . ? H5B C5S H5C 109.5 . . ? N1 C1 B1 105.08(9) . . ? N1 C1 B3 127.30(10) . . ? B1 C1 B3 115.27(9) . . ? N1 C1 B4 126.07(10) . . ? B1 C1 B4 115.67(9) . . ? B3 C1 B4 63.32(8) . . ? N1 C1 B2 114.19(10) . . ? B1 C1 B2 63.29(8) . . ? B3 C1 B2 62.16(8) . . ? B4 C1 B2 115.00(9) . . ? N1 C1 B5 113.00(9) . . ? B1 C1 B5 63.64(8) . . ? B3 C1 B5 114.60(9) . . ? B4 C1 B5 62.10(8) . . ? B2 C1 B5 115.33(9) . . ? N3 B1 C1 97.13(9) . . ? N3 B1 B7 140.86(11) . . ? C1 B1 B7 106.49(9) . . ? N3 B1 B6 140.19(11) . . ? C1 B1 B6 106.18(9) . . ? B7 B1 B6 61.28(8) . . ? N3 B1 B2 110.42(10) . . ? C1 B1 B2 60.55(7) . . ? B7 B1 B2 59.37(7) . . ? B6 B1 B2 109.10(9) . . ? N3 B1 B5 109.95(10) . . ? C1 B1 B5 60.37(8) . . ? B7 B1 B5 108.81(9) . . ? B6 B1 B5 58.94(7) . . ? B2 B1 B5 110.50(9) . . ? C1 B2 B8 104.00(9) . . ? C1 B2 Cl1 120.56(9) . . ? B8 B2 Cl1 126.99(9) . . ? C1 B2 B7 103.49(9) . . ? B8 B2 B7 61.99(8) . . ? Cl1 B2 B7 125.03(9) . . ? C1 B2 B3 58.02(7) . . ? B8 B2 B3 60.51(8) . . ? Cl1 B2 B3 120.53(9) . . ? B7 B2 B3 109.79(9) . . ? C1 B2 B1 56.15(7) . . ? B8 B2 B1 108.12(9) . . ? Cl1 B2 B1 119.66(9) . . ? B7 B2 B1 59.92(7) . . ? B3 B2 B1 105.84(9) . . ? C1 B3 Cl2 121.49(9) . . ? C1 B3 B9 103.81(9) . . ? Cl2 B3 B9 125.40(9) . . ? C1 B3 B8 104.09(9) . . ? Cl2 B3 B8 125.81(9) . . ? B9 B3 B8 60.29(8) . . ? C1 B3 B2 59.82(7) . . ? Cl2 B3 B2 120.32(9) . . ? B9 B3 B2 107.63(9) . . ? B8 B3 B2 58.84(7) . . ? C1 B3 B4 58.55(7) . . ? Cl2 B3 B4 119.54(9) . . ? B9 B3 B4 59.69(8) . . ? B8 B3 B4 108.17(9) . . ? B2 B3 B4 109.15(9) . . ? C1 B4 Cl3 120.77(9) . . ? C1 B4 B9 103.22(9) . . ? Cl3 B4 B9 126.45(9) . . ? C1 B4 B5 59.64(7) . . ? Cl3 B4 B5 120.45(9) . . ? B9 B4 B5 107.04(9) . . ? C1 B4 B10 103.66(9) . . ? Cl3 B4 B10 126.91(9) . . ? B9 B4 B10 60.11(8) . . ? B5 B4 B10 58.60(8) . . ? C1 B4 B3 58.13(7) . . ? Cl3 B4 B3 119.67(9) . . ? B9 B4 B3 59.35(7) . . ? B5 B4 B3 108.33(9) . . ? B10 B4 B3 107.47(9) . . ? C1 B5 B10 104.23(9) . . ? C1 B5 Cl4 119.92(8) . . ? B10 B5 Cl4 127.36(9) . . ? C1 B5 B6 103.55(9) . . ? B10 B5 B6 62.16(8) . . ? Cl4 B5 B6 125.28(9) . . ? C1 B5 B4 58.26(7) . . ? B10 B5 B4 60.73(8) . . ? Cl4 B5 B4 120.03(9) . . ? B6 B5 B4 110.26(9) . . ? C1 B5 B1 55.99(7) . . ? B10 B5 B1 108.25(9) . . ? Cl4 B5 B1 119.37(9) . . ? B6 B5 B1 59.96(8) . . ? B4 B5 B1 106.04(9) . . ? B5 B6 Cl5 121.68(9) . . ? B5 B6 B1 61.10(8) . . ? Cl5 B6 B1 124.58(9) . . ? B5 B6 B11 106.62(9) . . ? Cl5 B6 B11 121.70(9) . . ? B1 B6 B11 105.75(9) . . ? B5 B6 B7 108.93(9) . . ? Cl5 B6 B7 122.34(9) . . ? B1 B6 B7 59.28(7) . . ? B11 B6 B7 59.59(7) . . ? B5 B6 B10 58.64(8) . . ? Cl5 B6 B10 121.04(9) . . ? B1 B6 B10 106.42(9) . . ? B11 B6 B10 59.39(7) . . ? B7 B6 B10 107.44(9) . . ? B2 B7 Cl6 121.92(9) . . ? B2 B7 B1 60.71(8) . . ? Cl6 B7 B1 124.63(9) . . ? B2 B7 B11 106.63(9) . . ? Cl6 B7 B11 121.57(9) . . ? B1 B7 B11 105.89(9) . . ? B2 B7 B8 58.63(7) . . ? Cl6 B7 B8 121.24(9) . . ? B1 B7 B8 106.13(9) . . ? B11 B7 B8 59.39(7) . . ? B2 B7 B6 108.70(9) . . ? Cl6 B7 B6 122.30(9) . . ? B1 B7 B6 59.44(7) . . ? B11 B7 B6 59.61(7) . . ? B8 B7 B6 107.30(9) . . ? B2 B8 Cl7 121.57(9) . . ? B2 B8 B3 60.65(8) . . ? Cl7 B8 B3 121.88(9) . . ? B2 B8 B11 107.48(9) . . ? Cl7 B8 B11 121.86(9) . . ? B3 B8 B11 107.89(9) . . ? B2 B8 B9 108.52(9) . . ? Cl7 B8 B9 121.37(9) . . ? B3 B8 B9 59.59(8) . . ? B11 B8 B9 60.82(8) . . ? B2 B8 B7 59.38(8) . . ? Cl7 B8 B7 121.73(9) . . ? B3 B8 B7 107.85(9) . . ? B11 B8 B7 59.70(7) . . ? B9 B8 B7 108.57(9) . . ? B3 B9 Cl8 121.49(9) . . ? B3 B9 B4 60.96(8) . . ? Cl8 B9 B4 122.19(9) . . ? B3 B9 B8 60.13(8) . . ? Cl8 B9 B8 120.45(9) . . ? B4 B9 B8 109.04(9) . . ? B3 B9 B10 108.82(9) . . ? Cl8 B9 B10 121.96(9) . . ? B4 B9 B10 60.21(8) . . ? B8 B9 B10 108.23(9) . . ? B3 B9 B11 107.32(9) . . ? Cl8 B9 B11 121.91(9) . . ? B4 B9 B11 107.53(9) . . ? B8 B9 B11 59.56(7) . . ? B10 B9 B11 59.56(7) . . ? B5 B10 Cl9 120.91(9) . . ? B5 B10 B11 107.32(9) . . ? Cl9 B10 B11 122.34(9) . . ? B5 B10 B9 108.35(9) . . ? Cl9 B10 B9 122.28(9) . . ? B11 B10 B9 60.78(8) . . ? B5 B10 B4 60.67(8) . . ? Cl9 B10 B4 121.70(9) . . ? B11 B10 B4 108.08(9) . . ? B9 B10 B4 59.68(8) . . ? B5 B10 B6 59.20(7) . . ? Cl9 B10 B6 121.29(9) . . ? B11 B10 B6 59.70(7) . . ? B9 B10 B6 108.43(9) . . ? B4 B10 B6 107.89(9) . . ? Cl10 B11 B8 120.62(9) . . ? Cl10 B11 B10 121.63(9) . . ? B8 B11 B10 108.36(9) . . ? Cl10 B11 B7 120.55(9) . . ? B8 B11 B7 60.92(8) . . ? B10 B11 B7 109.62(9) . . ? Cl10 B11 B6 121.34(9) . . ? B8 B11 B6 109.46(9) . . ? B10 B11 B6 60.91(8) . . ? B7 B11 B6 60.80(8) . . ? Cl10 B11 B9 121.76(9) . . ? B8 B11 B9 59.62(7) . . ? B10 B11 B9 59.66(8) . . ? B7 B11 B9 108.58(9) . . ? B6 B11 B9 108.50(9) . . ? B3 Cl2 Cs1 108.93(5) . . ? B8 Cl7 Cs1 104.98(5) . . ? B9 Cl8 Cs1 107.19(5) . . ? B11 Cl10 Cs1 137.22(5) . 1_655 ? N2 N1 C1 110.12(10) . . ? N2 N1 Cs1 97.50(7) . 4_565 ? C1 N1 Cs1 146.21(8) . 4_565 ? N1 N2 N3 115.68(10) . . ? N1 N2 Cs1 61.87(6) . 4_565 ? N3 N2 Cs1 162.28(8) . 4_565 ? N2 N3 C2 118.32(10) . . ? N2 N3 B1 111.99(10) . . ? C2 N3 B1 129.68(10) . . ? C7 C2 C3 120.51(12) . . ? C7 C2 N3 118.30(11) . . ? C3 C2 N3 121.18(11) . . ? C4 C3 C2 119.00(12) . . ? C4 C3 H3 120.5 . . ? C2 C3 H3 120.5 . . ? C3 C4 C5 120.92(12) . . ? C3 C4 Cs1 91.29(8) . 2_645 ? C5 C4 Cs1 78.40(8) . 2_645 ? C3 C4 H4 119.5 . . ? C5 C4 H4 119.5 . . ? Cs1 C4 H4 100.4 2_645 . ? C6 C5 C4 119.43(12) . . ? C6 C5 Cs1 90.02(8) . 2_645 ? C4 C5 Cs1 79.61(8) . 2_645 ? C6 C5 H5 120.3 . . ? C4 C5 H5 120.3 . . ? Cs1 C5 H5 100.3 2_645 . ? C5 C6 C7 120.47(13) . . ? C5 C6 Cs1 69.14(8) . 2_645 ? C7 C6 Cs1 91.25(8) . 2_645 ? C5 C6 H6 119.8 . . ? C7 C6 H6 119.8 . . ? Cs1 C6 H6 109.7 2_645 . ? C6 C7 C2 119.66(12) . . ? C6 C7 H7 120.2 . . ? C2 C7 H7 120.2 . . ? 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 O3S Cs1 C1S C2S -2.48(9) . . . . ? N1 Cs1 C1S C2S 56.04(10) 4_566 . . . ? N2 Cs1 C1S C2S 82.11(10) 4_566 . . . ? C5 Cs1 C1S C2S -55.16(10) 2_655 . . . ? C4 Cs1 C1S C2S -39.17(11) 2_655 . . . ? Cl2 Cs1 C1S C2S -177.91(10) . . . . ? C5S Cs1 C1S C2S -7.53(9) . . . . ? Cl8 Cs1 C1S C2S 142.89(9) . . . . ? C6 Cs1 C1S C2S -79.20(10) 2_655 . . . ? Cl7 Cs1 C1S C2S 111.75(10) . . . . ? Cl10 Cs1 C1S C2S -71.66(9) 1_455 . . . ? Cs1 C1S C2S O3S 3.49(12) . . . . ? C1S C2S O3S C4S 175.16(14) . . . . ? C1S C2S O3S Cs1 -5.31(18) . . . . ? N1 Cs1 O3S C4S 43.62(13) 4_566 . . . ? N2 Cs1 O3S C4S 49.37(13) 4_566 . . . ? C5 Cs1 O3S C4S -39.78(12) 2_655 . . . ? C4 Cs1 O3S C4S -20.51(13) 2_655 . . . ? Cl2 Cs1 O3S C4S -173.41(12) . . . . ? C5S Cs1 O3S C4S -5.23(12) . . . . ? C1S Cs1 O3S C4S -177.36(14) . . . . ? Cl8 Cs1 O3S C4S 132.38(12) . . . . ? C6 Cs1 O3S C4S -58.86(12) 2_655 . . . ? Cl7 Cs1 O3S C4S 130.10(12) . . . . ? Cl10 Cs1 O3S C4S -89.30(12) 1_455 . . . ? N1 Cs1 O3S C2S -135.86(11) 4_566 . . . ? N2 Cs1 O3S C2S -130.11(11) 4_566 . . . ? C5 Cs1 O3S C2S 140.74(12) 2_655 . . . ? C4 Cs1 O3S C2S 160.02(11) 2_655 . . . ? Cl2 Cs1 O3S C2S 7.11(12) . . . . ? C5S Cs1 O3S C2S 175.29(13) . . . . ? C1S Cs1 O3S C2S 3.16(11) . . . . ? Cl8 Cs1 O3S C2S -47.09(12) . . . . ? C6 Cs1 O3S C2S 121.67(11) 2_655 . . . ? Cl7 Cs1 O3S C2S -49.38(11) . . . . ? Cl10 Cs1 O3S C2S 91.22(11) 1_455 . . . ? C2S O3S C4S C5S -171.52(15) . . . . ? Cs1 O3S C4S C5S 8.9(2) . . . . ? O3S C4S C5S Cs1 -6.02(14) . . . . ? O3S Cs1 C5S C4S 4.18(9) . . . . ? N1 Cs1 C5S C4S -128.86(11) 4_566 . . . ? N2 Cs1 C5S C4S -134.33(10) 4_566 . . . ? C5 Cs1 C5S C4S 145.40(11) 2_655 . . . ? C4 Cs1 C5S C4S 168.60(11) 2_655 . . . ? Cl2 Cs1 C5S C4S 20.97(12) . . . . ? C1S Cs1 C5S C4S 9.20(10) . . . . ? Cl8 Cs1 C5S C4S -89.30(12) . . . . ? C6 Cs1 C5S C4S 132.19(11) 2_655 . . . ? Cl7 Cs1 C5S C4S -42.04(11) . . . . ? Cl10 Cs1 C5S C4S 75.91(10) 1_455 . . . ? N1 C1 B1 N3 -0.39(11) . . . . ? B3 C1 B1 N3 144.81(10) . . . . ? B4 C1 B1 N3 -144.10(10) . . . . ? B2 C1 B1 N3 109.46(10) . . . . ? B5 C1 B1 N3 -108.94(10) . . . . ? N1 C1 B1 B7 -148.84(9) . . . . ? B3 C1 B1 B7 -3.63(13) . . . . ? B4 C1 B1 B7 67.46(12) . . . . ? B2 C1 B1 B7 -38.99(9) . . . . ? B5 C1 B1 B7 102.62(10) . . . . ? N1 C1 B1 B6 147.00(9) . . . . ? B3 C1 B1 B6 -67.79(12) . . . . ? B4 C1 B1 B6 3.30(13) . . . . ? B2 C1 B1 B6 -103.15(10) . . . . ? B5 C1 B1 B6 38.46(9) . . . . ? N1 C1 B1 B2 -109.85(10) . . . . ? B3 C1 B1 B2 35.35(10) . . . . ? B4 C1 B1 B2 106.44(10) . . . . ? B5 C1 B1 B2 141.61(9) . . . . ? N1 C1 B1 B5 108.54(10) . . . . ? B3 C1 B1 B5 -106.25(10) . . . . ? B4 C1 B1 B5 -35.16(9) . . . . ? B2 C1 B1 B5 -141.61(9) . . . . ? N1 C1 B2 B8 -162.02(10) . . . . ? B1 C1 B2 B8 102.63(10) . . . . ? B3 C1 B2 B8 -41.09(9) . . . . ? B4 C1 B2 B8 -4.86(13) . . . . ? B5 C1 B2 B8 64.63(12) . . . . ? N1 C1 B2 Cl1 -11.86(15) . . . . ? B1 C1 B2 Cl1 -107.21(11) . . . . ? B3 C1 B2 Cl1 109.07(11) . . . . ? B4 C1 B2 Cl1 145.30(9) . . . . ? B5 C1 B2 Cl1 -145.22(9) . . . . ? N1 C1 B2 B7 133.95(10) . . . . ? B1 C1 B2 B7 38.60(9) . . . . ? B3 C1 B2 B7 -105.12(10) . . . . ? B4 C1 B2 B7 -68.89(12) . . . . ? B5 C1 B2 B7 0.60(13) . . . . ? N1 C1 B2 B3 -120.93(11) . . . . ? B1 C1 B2 B3 143.72(10) . . . . ? B4 C1 B2 B3 36.23(9) . . . . ? B5 C1 B2 B3 105.71(10) . . . . ? N1 C1 B2 B1 95.35(11) . . . . ? B3 C1 B2 B1 -143.72(10) . . . . ? B4 C1 B2 B1 -107.49(11) . . . . ? B5 C1 B2 B1 -38.00(9) . . . . ? N3 B1 B2 C1 -86.67(10) . . . . ? B7 B1 B2 C1 135.48(10) . . . . ? B6 B1 B2 C1 98.23(10) . . . . ? B5 B1 B2 C1 35.19(9) . . . . ? N3 B1 B2 B8 178.34(10) . . . . ? C1 B1 B2 B8 -94.99(10) . . . . ? B7 B1 B2 B8 40.49(9) . . . . ? B6 B1 B2 B8 3.24(13) . . . . ? B5 B1 B2 B8 -59.80(12) . . . . ? N3 B1 B2 Cl1 22.16(14) . . . . ? C1 B1 B2 Cl1 108.83(10) . . . . ? B7 B1 B2 Cl1 -115.69(11) . . . . ? B6 B1 B2 Cl1 -152.94(9) . . . . ? B5 B1 B2 Cl1 144.02(9) . . . . ? N3 B1 B2 B7 137.85(12) . . . . ? C1 B1 B2 B7 -135.48(10) . . . . ? B6 B1 B2 B7 -37.25(9) . . . . ? B5 B1 B2 B7 -100.29(10) . . . . ? N3 B1 B2 B3 -118.12(10) . . . . ? C1 B1 B2 B3 -31.45(8) . . . . ? B7 B1 B2 B3 104.03(10) . . . . ? B6 B1 B2 B3 66.78(11) . . . . ? B5 B1 B2 B3 3.74(12) . . . . ? N1 C1 B3 Cl2 -8.81(17) . . . . ? B1 C1 B3 Cl2 -144.96(10) . . . . ? B4 C1 B3 Cl2 107.65(11) . . . . ? B2 C1 B3 Cl2 -109.19(11) . . . . ? B5 C1 B3 Cl2 143.93(9) . . . . ? N1 C1 B3 B9 -157.03(11) . . . . ? B1 C1 B3 B9 66.81(12) . . . . ? B4 C1 B3 B9 -40.58(9) . . . . ? B2 C1 B3 B9 102.58(10) . . . . ? B5 C1 B3 B9 -4.30(12) . . . . ? N1 C1 B3 B8 140.65(11) . . . . ? B1 C1 B3 B8 4.49(13) . . . . ? B4 C1 B3 B8 -102.90(10) . . . . ? B2 C1 B3 B8 40.26(9) . . . . ? B5 C1 B3 B8 -66.61(12) . . . . ? N1 C1 B3 B2 100.38(13) . . . . ? B1 C1 B3 B2 -35.77(10) . . . . ? B4 C1 B3 B2 -143.17(9) . . . . ? B5 C1 B3 B2 -106.88(10) . . . . ? N1 C1 B3 B4 -116.45(13) . . . . ? B1 C1 B3 B4 107.39(11) . . . . ? B2 C1 B3 B4 143.17(9) . . . . ? B5 C1 B3 B4 36.29(9) . . . . ? B8 B2 B3 C1 132.90(10) . . . . ? Cl1 B2 B3 C1 -109.13(10) . . . . ? B7 B2 B3 C1 93.88(10) . . . . ? B1 B2 B3 C1 30.72(8) . . . . ? C1 B2 B3 Cl2 111.10(10) . . . . ? B8 B2 B3 Cl2 -116.01(11) . . . . ? Cl1 B2 B3 Cl2 1.97(14) . . . . ? B7 B2 B3 Cl2 -155.03(9) . . . . ? B1 B2 B3 Cl2 141.82(9) . . . . ? C1 B2 B3 B9 -96.03(10) . . . . ? B8 B2 B3 B9 36.87(9) . . . . ? Cl1 B2 B3 B9 154.84(9) . . . . ? B7 B2 B3 B9 -2.15(12) . . . . ? B1 B2 B3 B9 -65.30(11) . . . . ? C1 B2 B3 B8 -132.90(10) . . . . ? Cl1 B2 B3 B8 117.97(11) . . . . ? B7 B2 B3 B8 -39.02(9) . . . . ? B1 B2 B3 B8 -102.17(10) . . . . ? C1 B2 B3 B4 -32.78(8) . . . . ? B8 B2 B3 B4 100.12(10) . . . . ? Cl1 B2 B3 B4 -141.91(9) . . . . ? B7 B2 B3 B4 61.10(12) . . . . ? B1 B2 B3 B4 -2.06(12) . . . . ? N1 C1 B4 Cl3 10.28(17) . . . . ? B1 C1 B4 Cl3 145.29(9) . . . . ? B3 C1 B4 Cl3 -107.95(11) . . . . ? B2 C1 B4 Cl3 -143.74(9) . . . . ? B5 C1 B4 Cl3 109.56(11) . . . . ? N1 C1 B4 B9 158.52(11) . . . . ? B1 C1 B4 B9 -66.47(12) . . . . ? B3 C1 B4 B9 40.29(9) . . . . ? B2 C1 B4 B9 4.50(12) . . . . ? B5 C1 B4 B9 -102.20(10) . . . . ? N1 C1 B4 B5 -99.28(12) . . . . ? B1 C1 B4 B5 35.72(10) . . . . ? B3 C1 B4 B5 142.49(9) . . . . ? B2 C1 B4 B5 106.70(10) . . . . ? N1 C1 B4 B10 -139.49(11) . . . . ? B1 C1 B4 B10 -4.49(13) . . . . ? B3 C1 B4 B10 102.28(10) . . . . ? B2 C1 B4 B10 66.48(12) . . . . ? B5 C1 B4 B10 -40.21(8) . . . . ? N1 C1 B4 B3 118.23(13) . . . . ? B1 C1 B4 B3 -106.77(11) . . . . ? B2 C1 B4 B3 -35.79(9) . . . . ? B5 C1 B4 B3 -142.49(9) . . . . ? Cl2 B3 B4 C1 -110.93(10) . . . . ? B9 B3 B4 C1 132.97(10) . . . . ? B8 B3 B4 C1 95.72(10) . . . . ? B2 B3 B4 C1 33.27(9) . . . . ? C1 B3 B4 Cl3 109.83(11) . . . . ? Cl2 B3 B4 Cl3 -1.11(14) . . . . ? B9 B3 B4 Cl3 -117.21(11) . . . . ? B8 B3 B4 Cl3 -154.46(9) . . . . ? B2 B3 B4 Cl3 143.10(9) . . . . ? C1 B3 B4 B9 -132.97(10) . . . . ? Cl2 B3 B4 B9 116.10(11) . . . . ? B8 B3 B4 B9 -37.25(9) . . . . ? B2 B3 B4 B9 -99.70(10) . . . . ? C1 B3 B4 B5 -33.61(9) . . . . ? Cl2 B3 B4 B5 -144.54(9) . . . . ? B9 B3 B4 B5 99.36(10) . . . . ? B8 B3 B4 B5 62.11(12) . . . . ? B2 B3 B4 B5 -0.34(12) . . . . ? C1 B3 B4 B10 -95.50(10) . . . . ? Cl2 B3 B4 B10 153.57(9) . . . . ? B9 B3 B4 B10 37.47(9) . . . . ? B8 B3 B4 B10 0.22(12) . . . . ? B2 B3 B4 B10 -62.23(12) . . . . ? N1 C1 B5 B10 161.34(10) . . . . ? B1 C1 B5 B10 -102.63(10) . . . . ? B3 C1 B5 B10 4.66(13) . . . . ? B4 C1 B5 B10 41.41(9) . . . . ? B2 C1 B5 B10 -64.76(12) . . . . ? N1 C1 B5 Cl4 11.09(14) . . . . ? B1 C1 B5 Cl4 107.12(11) . . . . ? B3 C1 B5 Cl4 -145.60(9) . . . . ? B4 C1 B5 Cl4 -108.84(11) . . . . ? B2 C1 B5 Cl4 144.99(9) . . . . ? N1 C1 B5 B6 -134.41(10) . . . . ? B1 C1 B5 B6 -38.38(9) . . . . ? B3 C1 B5 B6 68.90(12) . . . . ? B4 C1 B5 B6 105.66(10) . . . . ? B2 C1 B5 B6 -0.51(13) . . . . ? N1 C1 B5 B4 119.93(11) . . . . ? B1 C1 B5 B4 -144.03(10) . . . . ? B3 C1 B5 B4 -36.75(9) . . . . ? B2 C1 B5 B4 -106.17(10) . . . . ? N1 C1 B5 B1 -96.03(11) . . . . ? B3 C1 B5 B1 107.28(11) . . . . ? B4 C1 B5 B1 144.03(10) . . . . ? B2 C1 B5 B1 37.87(9) . . . . ? Cl3 B4 B5 C1 -110.09(11) . . . . ? B9 B4 B5 C1 95.61(10) . . . . ? B10 B4 B5 C1 132.69(10) . . . . ? B3 B4 B5 C1 33.01(8) . . . . ? C1 B4 B5 B10 -132.69(10) . . . . ? Cl3 B4 B5 B10 117.22(11) . . . . ? B9 B4 B5 B10 -37.08(9) . . . . ? B3 B4 B5 B10 -99.69(10) . . . . ? C1 B4 B5 Cl4 108.65(10) . . . . ? Cl3 B4 B5 Cl4 -1.44(15) . . . . ? B9 B4 B5 Cl4 -155.74(9) . . . . ? B10 B4 B5 Cl4 -118.66(11) . . . . ? B3 B4 B5 Cl4 141.66(9) . . . . ? C1 B4 B5 B6 -93.74(10) . . . . ? Cl3 B4 B5 B6 156.17(9) . . . . ? B9 B4 B5 B6 1.87(13) . . . . ? B10 B4 B5 B6 38.95(9) . . . . ? B3 B4 B5 B6 -60.74(12) . . . . ? C1 B4 B5 B1 -30.43(8) . . . . ? Cl3 B4 B5 B1 -140.52(9) . . . . ? B9 B4 B5 B1 65.18(11) . . . . ? B10 B4 B5 B1 102.26(10) . . . . ? B3 B4 B5 B1 2.57(12) . . . . ? N3 B1 B5 C1 86.87(10) . . . . ? B7 B1 B5 C1 -98.69(10) . . . . ? B6 B1 B5 C1 -135.79(10) . . . . ? B2 B1 B5 C1 -35.27(9) . . . . ? N3 B1 B5 B10 -177.98(10) . . . . ? C1 B1 B5 B10 95.15(10) . . . . ? B7 B1 B5 B10 -3.55(13) . . . . ? B6 B1 B5 B10 -40.64(9) . . . . ? B2 B1 B5 B10 59.88(12) . . . . ? N3 B1 B5 Cl4 -21.22(14) . . . . ? C1 B1 B5 Cl4 -108.09(10) . . . . ? B7 B1 B5 Cl4 153.21(9) . . . . ? B6 B1 B5 Cl4 116.11(11) . . . . ? B2 B1 B5 Cl4 -143.36(9) . . . . ? N3 B1 B5 B6 -137.34(11) . . . . ? C1 B1 B5 B6 135.79(10) . . . . ? B7 B1 B5 B6 37.10(9) . . . . ? B2 B1 B5 B6 100.53(10) . . . . ? N3 B1 B5 B4 118.18(10) . . . . ? C1 B1 B5 B4 31.31(8) . . . . ? B7 B1 B5 B4 -67.38(11) . . . . ? B6 B1 B5 B4 -104.48(10) . . . . ? B2 B1 B5 B4 -3.96(12) . . . . ? C1 B5 B6 Cl5 151.39(9) . . . . ? B10 B5 B6 Cl5 -109.48(11) . . . . ? Cl4 B5 B6 Cl5 8.36(16) . . . . ? B4 B5 B6 Cl5 -147.81(9) . . . . ? B1 B5 B6 Cl5 114.91(11) . . . . ? C1 B5 B6 B1 36.48(8) . . . . ? B10 B5 B6 B1 135.61(10) . . . . ? Cl4 B5 B6 B1 -106.55(11) . . . . ? B4 B5 B6 B1 97.28(10) . . . . ? C1 B5 B6 B11 -62.66(11) . . . . ? B10 B5 B6 B11 36.47(9) . . . . ? Cl4 B5 B6 B11 154.31(9) . . . . ? B4 B5 B6 B11 -1.86(13) . . . . ? B1 B5 B6 B11 -99.13(10) . . . . ? C1 B5 B6 B7 0.20(12) . . . . ? B10 B5 B6 B7 99.33(10) . . . . ? Cl4 B5 B6 B7 -142.83(10) . . . . ? B4 B5 B6 B7 61.00(12) . . . . ? B1 B5 B6 B7 -36.28(9) . . . . ? C1 B5 B6 B10 -99.13(10) . . . . ? Cl4 B5 B6 B10 117.84(12) . . . . ? B4 B5 B6 B10 -38.33(9) . . . . ? B1 B5 B6 B10 -135.61(10) . . . . ? N3 B1 B6 B5 84.24(17) . . . . ? C1 B1 B6 B5 -39.13(9) . . . . ? B7 B1 B6 B5 -139.38(10) . . . . ? B2 B1 B6 B5 -102.95(10) . . . . ? N3 B1 B6 Cl5 -26.1(2) . . . . ? C1 B1 B6 Cl5 -149.50(9) . . . . ? B7 B1 B6 Cl5 110.25(11) . . . . ? B2 B1 B6 Cl5 146.68(9) . . . . ? B5 B1 B6 Cl5 -110.37(11) . . . . ? N3 B1 B6 B11 -175.17(14) . . . . ? C1 B1 B6 B11 61.46(11) . . . . ? B7 B1 B6 B11 -38.79(9) . . . . ? B2 B1 B6 B11 -2.36(12) . . . . ? B5 B1 B6 B11 100.59(10) . . . . ? N3 B1 B6 B7 -136.38(18) . . . . ? C1 B1 B6 B7 100.25(10) . . . . ? B2 B1 B6 B7 36.43(9) . . . . ? B5 B1 B6 B7 139.38(10) . . . . ? N3 B1 B6 B10 122.76(16) . . . . ? C1 B1 B6 B10 -0.61(12) . . . . ? B7 B1 B6 B10 -100.86(10) . . . . ? B2 B1 B6 B10 -64.42(11) . . . . ? B5 B1 B6 B10 38.52(9) . . . . ? C1 B2 B7 Cl6 -151.51(9) . . . . ? B8 B2 B7 Cl6 109.63(11) . . . . ? Cl1 B2 B7 Cl6 -7.73(16) . . . . ? B3 B2 B7 Cl6 148.00(9) . . . . ? B1 B2 B7 Cl6 -114.72(11) . . . . ? C1 B2 B7 B1 -36.79(8) . . . . ? B8 B2 B7 B1 -135.65(10) . . . . ? Cl1 B2 B7 B1 106.99(11) . . . . ? B3 B2 B7 B1 -97.28(10) . . . . ? C1 B2 B7 B11 62.43(11) . . . . ? B8 B2 B7 B11 -36.43(9) . . . . ? Cl1 B2 B7 B11 -153.79(9) . . . . ? B3 B2 B7 B11 1.94(12) . . . . ? B1 B2 B7 B11 99.22(10) . . . . ? C1 B2 B7 B8 98.87(10) . . . . ? Cl1 B2 B7 B8 -117.35(12) . . . . ? B3 B2 B7 B8 38.37(9) . . . . ? B1 B2 B7 B8 135.65(10) . . . . ? C1 B2 B7 B6 -0.42(12) . . . . ? B8 B2 B7 B6 -99.29(10) . . . . ? Cl1 B2 B7 B6 143.36(10) . . . . ? B3 B2 B7 B6 -60.92(12) . . . . ? B1 B2 B7 B6 36.36(9) . . . . ? N3 B1 B7 B2 -85.11(17) . . . . ? C1 B1 B7 B2 39.55(9) . . . . ? B6 B1 B7 B2 139.29(10) . . . . ? B5 B1 B7 B2 103.19(10) . . . . ? N3 B1 B7 Cl6 25.3(2) . . . . ? C1 B1 B7 Cl6 149.99(9) . . . . ? B6 B1 B7 Cl6 -110.26(11) . . . . ? B2 B1 B7 Cl6 110.45(11) . . . . ? B5 B1 B7 Cl6 -146.36(10) . . . . ? N3 B1 B7 B11 174.44(15) . . . . ? C1 B1 B7 B11 -60.91(11) . . . . ? B6 B1 B7 B11 38.84(9) . . . . ? B2 B1 B7 B11 -100.45(10) . . . . ? B5 B1 B7 B11 2.74(12) . . . . ? N3 B1 B7 B8 -123.52(16) . . . . ? C1 B1 B7 B8 1.14(12) . . . . ? B6 B1 B7 B8 100.88(10) . . . . ? B2 B1 B7 B8 -38.41(9) . . . . ? B5 B1 B7 B8 64.78(11) . . . . ? N3 B1 B7 B6 135.60(18) . . . . ? C1 B1 B7 B6 -99.75(10) . . . . ? B2 B1 B7 B6 -139.29(10) . . . . ? B5 B1 B7 B6 -36.10(9) . . . . ? B5 B6 B7 B2 0.14(13) . . . . ? Cl5 B6 B7 B2 -150.82(9) . . . . ? B1 B6 B7 B2 -36.91(9) . . . . ? B11 B6 B7 B2 98.73(10) . . . . ? B10 B6 B7 B2 62.18(11) . . . . ? B5 B6 B7 Cl6 151.09(9) . . . . ? Cl5 B6 B7 Cl6 0.14(15) . . . . ? B1 B6 B7 Cl6 114.04(11) . . . . ? B11 B6 B7 Cl6 -110.32(11) . . . . ? B10 B6 B7 Cl6 -146.87(9) . . . . ? B5 B6 B7 B1 37.05(9) . . . . ? Cl5 B6 B7 B1 -113.91(11) . . . . ? B11 B6 B7 B1 135.64(10) . . . . ? B10 B6 B7 B1 99.09(10) . . . . ? B5 B6 B7 B11 -98.59(10) . . . . ? Cl5 B6 B7 B11 110.46(11) . . . . ? B1 B6 B7 B11 -135.64(10) . . . . ? B10 B6 B7 B11 -36.55(9) . . . . ? B5 B6 B7 B8 -61.81(11) . . . . ? Cl5 B6 B7 B8 147.23(9) . . . . ? B1 B6 B7 B8 -98.86(10) . . . . ? B11 B6 B7 B8 36.77(9) . . . . ? B10 B6 B7 B8 0.23(12) . . . . ? C1 B2 B8 Cl7 151.27(9) . . . . ? Cl1 B2 B8 Cl7 3.71(16) . . . . ? B7 B2 B8 Cl7 -110.70(11) . . . . ? B3 B2 B8 Cl7 111.44(11) . . . . ? B1 B2 B8 Cl7 -150.23(9) . . . . ? C1 B2 B8 B3 39.82(8) . . . . ? Cl1 B2 B8 B3 -107.73(12) . . . . ? B7 B2 B8 B3 137.86(10) . . . . ? B1 B2 B8 B3 98.33(10) . . . . ? C1 B2 B8 B11 -61.27(11) . . . . ? Cl1 B2 B8 B11 151.18(10) . . . . ? B7 B2 B8 B11 36.77(9) . . . . ? B3 B2 B8 B11 -101.09(10) . . . . ? B1 B2 B8 B11 -2.76(12) . . . . ? C1 B2 B8 B9 3.04(12) . . . . ? Cl1 B2 B8 B9 -144.52(10) . . . . ? B7 B2 B8 B9 101.07(10) . . . . ? B3 B2 B8 B9 -36.79(9) . . . . ? B1 B2 B8 B9 61.55(12) . . . . ? C1 B2 B8 B7 -98.03(10) . . . . ? Cl1 B2 B8 B7 114.41(12) . . . . ? B3 B2 B8 B7 -137.86(10) . . . . ? B1 B2 B8 B7 -39.52(9) . . . . ? C1 B3 B8 B2 -40.76(9) . . . . ? Cl2 B3 B8 B2 106.93(12) . . . . ? B9 B3 B8 B2 -138.82(10) . . . . ? B4 B3 B8 B2 -101.83(10) . . . . ? C1 B3 B8 Cl7 -151.72(9) . . . . ? Cl2 B3 B8 Cl7 -4.02(16) . . . . ? B9 B3 B8 Cl7 110.23(11) . . . . ? B2 B3 B8 Cl7 -110.95(11) . . . . ? B4 B3 B8 Cl7 147.21(9) . . . . ? C1 B3 B8 B11 59.64(11) . . . . ? Cl2 B3 B8 B11 -152.66(10) . . . . ? B9 B3 B8 B11 -38.41(9) . . . . ? B2 B3 B8 B11 100.41(10) . . . . ? B4 B3 B8 B11 -1.43(12) . . . . ? C1 B3 B8 B9 98.06(10) . . . . ? Cl2 B3 B8 B9 -114.25(12) . . . . ? B2 B3 B8 B9 138.82(10) . . . . ? B4 B3 B8 B9 36.99(9) . . . . ? C1 B3 B8 B7 -3.42(12) . . . . ? Cl2 B3 B8 B7 144.28(10) . . . . ? B9 B3 B8 B7 -101.48(10) . . . . ? B2 B3 B8 B7 37.35(9) . . . . ? B4 B3 B8 B7 -64.49(11) . . . . ? Cl6 B7 B8 B2 -110.75(11) . . . . ? B1 B7 B8 B2 39.40(9) . . . . ? B11 B7 B8 B2 138.61(10) . . . . ? B6 B7 B8 B2 101.73(10) . . . . ? B2 B7 B8 Cl7 110.44(11) . . . . ? Cl6 B7 B8 Cl7 -0.31(15) . . . . ? B1 B7 B8 Cl7 149.84(9) . . . . ? B11 B7 B8 Cl7 -110.95(11) . . . . ? B6 B7 B8 Cl7 -147.83(9) . . . . ? B2 B7 B8 B3 -37.91(9) . . . . ? Cl6 B7 B8 B3 -148.67(9) . . . . ? B1 B7 B8 B3 1.48(12) . . . . ? B11 B7 B8 B3 100.69(10) . . . . ? B6 B7 B8 B3 63.82(11) . . . . ? B2 B7 B8 B11 -138.61(10) . . . . ? Cl6 B7 B8 B11 110.64(11) . . . . ? B1 B7 B8 B11 -99.21(10) . . . . ? B6 B7 B8 B11 -36.88(9) . . . . ? B2 B7 B8 B9 -100.99(10) . . . . ? Cl6 B7 B8 B9 148.26(9) . . . . ? B1 B7 B8 B9 -61.59(11) . . . . ? B11 B7 B8 B9 37.62(9) . . . . ? B6 B7 B8 B9 0.74(12) . . . . ? C1 B3 B9 Cl8 151.99(9) . . . . ? Cl2 B3 B9 Cl8 5.41(16) . . . . ? B8 B3 B9 Cl8 -109.48(11) . . . . ? B2 B3 B9 Cl8 -145.72(9) . . . . ? B4 B3 B9 Cl8 111.99(11) . . . . ? C1 B3 B9 B4 40.01(9) . . . . ? Cl2 B3 B9 B4 -106.57(11) . . . . ? B8 B3 B9 B4 138.53(10) . . . . ? B2 B3 B9 B4 102.29(10) . . . . ? C1 B3 B9 B8 -98.53(10) . . . . ? Cl2 B3 B9 B8 114.89(12) . . . . ? B2 B3 B9 B8 -36.24(9) . . . . ? B4 B3 B9 B8 -138.53(10) . . . . ? C1 B3 B9 B10 2.15(12) . . . . ? Cl2 B3 B9 B10 -144.43(10) . . . . ? B8 B3 B9 B10 100.68(10) . . . . ? B2 B3 B9 B10 64.44(11) . . . . ? B4 B3 B9 B10 -37.85(9) . . . . ? C1 B3 B9 B11 -60.82(11) . . . . ? Cl2 B3 B9 B11 152.60(9) . . . . ? B8 B3 B9 B11 37.71(9) . . . . ? B2 B3 B9 B11 1.47(12) . . . . ? B4 B3 B9 B11 -100.82(10) . . . . ? C1 B4 B9 B3 -39.67(8) . . . . ? Cl3 B4 B9 B3 106.12(12) . . . . ? B5 B4 B9 B3 -101.57(10) . . . . ? B10 B4 B9 B3 -137.99(10) . . . . ? C1 B4 B9 Cl8 -150.56(9) . . . . ? Cl3 B4 B9 Cl8 -4.77(16) . . . . ? B5 B4 B9 Cl8 147.54(9) . . . . ? B10 B4 B9 Cl8 111.13(11) . . . . ? B3 B4 B9 Cl8 -110.89(11) . . . . ? C1 B4 B9 B8 -2.27(12) . . . . ? Cl3 B4 B9 B8 143.52(10) . . . . ? B5 B4 B9 B8 -64.17(12) . . . . ? B10 B4 B9 B8 -100.58(10) . . . . ? B3 B4 B9 B8 37.40(9) . . . . ? C1 B4 B9 B10 98.32(10) . . . . ? Cl3 B4 B9 B10 -115.89(12) . . . . ? B5 B4 B9 B10 36.42(9) . . . . ? B3 B4 B9 B10 137.99(10) . . . . ? C1 B4 B9 B11 60.80(11) . . . . ? Cl3 B4 B9 B11 -153.41(10) . . . . ? B5 B4 B9 B11 -1.10(12) . . . . ? B10 B4 B9 B11 -37.52(9) . . . . ? B3 B4 B9 B11 100.47(10) . . . . ? B2 B8 B9 B3 37.25(9) . . . . ? Cl7 B8 B9 B3 -111.06(11) . . . . ? B11 B8 B9 B3 137.37(10) . . . . ? B7 B8 B9 B3 100.24(10) . . . . ? B2 B8 B9 Cl8 148.42(9) . . . . ? Cl7 B8 B9 Cl8 0.11(14) . . . . ? B3 B8 B9 Cl8 111.17(11) . . . . ? B11 B8 B9 Cl8 -111.46(10) . . . . ? B7 B8 B9 Cl8 -148.59(9) . . . . ? B2 B8 B9 B4 -0.52(13) . . . . ? Cl7 B8 B9 B4 -148.82(9) . . . . ? B3 B8 B9 B4 -37.76(9) . . . . ? B11 B8 B9 B4 99.60(10) . . . . ? B7 B8 B9 B4 62.47(12) . . . . ? B2 B8 B9 B10 -64.43(12) . . . . ? Cl7 B8 B9 B10 147.26(9) . . . . ? B3 B8 B9 B10 -101.68(10) . . . . ? B11 B8 B9 B10 35.69(9) . . . . ? B7 B8 B9 B10 -1.44(12) . . . . ? B2 B8 B9 B11 -100.12(10) . . . . ? Cl7 B8 B9 B11 111.57(10) . . . . ? B3 B8 B9 B11 -137.37(10) . . . . ? B7 B8 B9 B11 -37.13(9) . . . . ? C1 B5 B10 Cl9 -151.63(9) . . . . ? Cl4 B5 B10 Cl9 -4.39(16) . . . . ? B6 B5 B10 Cl9 110.36(11) . . . . ? B4 B5 B10 Cl9 -111.47(11) . . . . ? B1 B5 B10 Cl9 149.98(9) . . . . ? C1 B5 B10 B11 61.25(11) . . . . ? Cl4 B5 B10 B11 -151.51(10) . . . . ? B6 B5 B10 B11 -36.77(9) . . . . ? B4 B5 B10 B11 101.40(10) . . . . ? B1 B5 B10 B11 2.85(12) . . . . ? C1 B5 B10 B9 -2.94(12) . . . . ? Cl4 B5 B10 B9 144.30(10) . . . . ? B6 B5 B10 B9 -100.96(10) . . . . ? B4 B5 B10 B9 37.21(9) . . . . ? B1 B5 B10 B9 -61.34(12) . . . . ? C1 B5 B10 B4 -40.15(8) . . . . ? Cl4 B5 B10 B4 107.09(12) . . . . ? B6 B5 B10 B4 -138.17(10) . . . . ? B1 B5 B10 B4 -98.55(10) . . . . ? C1 B5 B10 B6 98.01(10) . . . . ? Cl4 B5 B10 B6 -114.74(12) . . . . ? B4 B5 B10 B6 138.17(10) . . . . ? B1 B5 B10 B6 39.62(9) . . . . ? B3 B9 B10 B5 0.54(13) . . . . ? Cl8 B9 B10 B5 -149.13(9) . . . . ? B4 B9 B10 B5 -37.64(9) . . . . ? B8 B9 B10 B5 64.32(12) . . . . ? B11 B9 B10 B5 100.01(10) . . . . ? B3 B9 B10 Cl9 148.70(9) . . . . ? Cl8 B9 B10 Cl9 -0.97(15) . . . . ? B4 B9 B10 Cl9 110.52(11) . . . . ? B8 B9 B10 Cl9 -147.52(9) . . . . ? B11 B9 B10 Cl9 -111.82(11) . . . . ? B3 B9 B10 B11 -99.47(10) . . . . ? Cl8 B9 B10 B11 110.86(11) . . . . ? B4 B9 B10 B11 -137.65(10) . . . . ? B8 B9 B10 B11 -35.69(9) . . . . ? B3 B9 B10 B4 38.18(9) . . . . ? Cl8 B9 B10 B4 -111.49(11) . . . . ? B8 B9 B10 B4 101.96(10) . . . . ? B11 B9 B10 B4 137.65(10) . . . . ? B3 B9 B10 B6 -62.20(12) . . . . ? Cl8 B9 B10 B6 148.13(9) . . . . ? B4 B9 B10 B6 -100.38(10) . . . . ? B8 B9 B10 B6 1.58(12) . . . . ? B11 B9 B10 B6 37.27(9) . . . . ? C1 B4 B10 B5 40.74(9) . . . . ? Cl3 B4 B10 B5 -106.51(12) . . . . ? B9 B4 B10 B5 138.32(10) . . . . ? B3 B4 B10 B5 101.19(10) . . . . ? C1 B4 B10 Cl9 150.96(9) . . . . ? Cl3 B4 B10 Cl9 3.71(16) . . . . ? B9 B4 B10 Cl9 -111.46(11) . . . . ? B5 B4 B10 Cl9 110.21(11) . . . . ? B3 B4 B10 Cl9 -148.59(9) . . . . ? C1 B4 B10 B11 -59.38(11) . . . . ? Cl3 B4 B10 B11 153.37(10) . . . . ? B9 B4 B10 B11 38.20(9) . . . . ? B5 B4 B10 B11 -100.12(10) . . . . ? B3 B4 B10 B11 1.07(12) . . . . ? C1 B4 B10 B9 -97.58(10) . . . . ? Cl3 B4 B10 B9 115.17(12) . . . . ? B5 B4 B10 B9 -138.32(10) . . . . ? B3 B4 B10 B9 -37.13(9) . . . . ? C1 B4 B10 B6 3.73(12) . . . . ? Cl3 B4 B10 B6 -143.52(10) . . . . ? B9 B4 B10 B6 101.31(10) . . . . ? B5 B4 B10 B6 -37.01(9) . . . . ? B3 B4 B10 B6 64.18(12) . . . . ? Cl5 B6 B10 B5 110.55(11) . . . . ? B1 B6 B10 B5 -39.68(9) . . . . ? B11 B6 B10 B5 -138.56(10) . . . . ? B7 B6 B10 B5 -101.93(10) . . . . ? B5 B6 B10 Cl9 -109.72(11) . . . . ? Cl5 B6 B10 Cl9 0.83(14) . . . . ? B1 B6 B10 Cl9 -149.41(9) . . . . ? B11 B6 B10 Cl9 111.71(11) . . . . ? B7 B6 B10 Cl9 148.35(9) . . . . ? B5 B6 B10 B11 138.56(10) . . . . ? Cl5 B6 B10 B11 -110.89(10) . . . . ? B1 B6 B10 B11 98.88(10) . . . . ? B7 B6 B10 B11 36.63(9) . . . . ? B5 B6 B10 B9 100.82(10) . . . . ? Cl5 B6 B10 B9 -148.63(9) . . . . ? B1 B6 B10 B9 61.13(11) . . . . ? B11 B6 B10 B9 -37.75(9) . . . . ? B7 B6 B10 B9 -1.11(12) . . . . ? B5 B6 B10 B4 37.66(9) . . . . ? Cl5 B6 B10 B4 148.21(9) . . . . ? B1 B6 B10 B4 -2.02(12) . . . . ? B11 B6 B10 B4 -100.90(10) . . . . ? B7 B6 B10 B4 -64.27(11) . . . . ? B2 B8 B11 Cl10 -146.91(9) . . . . ? Cl7 B8 B11 Cl10 0.44(15) . . . . ? B3 B8 B11 Cl10 149.08(9) . . . . ? B9 B8 B11 Cl10 111.22(10) . . . . ? B7 B8 B11 Cl10 -110.29(11) . . . . ? B2 B8 B11 B10 66.10(11) . . . . ? Cl7 B8 B11 B10 -146.55(9) . . . . ? B3 B8 B11 B10 2.10(12) . . . . ? B9 B8 B11 B10 -35.76(9) . . . . ? B7 B8 B11 B10 102.72(10) . . . . ? B2 B8 B11 B7 -36.63(9) . . . . ? Cl7 B8 B11 B7 110.73(11) . . . . ? B3 B8 B11 B7 -100.63(10) . . . . ? B9 B8 B11 B7 -138.49(9) . . . . ? B2 B8 B11 B6 1.32(12) . . . . ? Cl7 B8 B11 B6 148.67(9) . . . . ? B3 B8 B11 B6 -62.69(12) . . . . ? B9 B8 B11 B6 -100.55(10) . . . . ? B7 B8 B11 B6 37.94(9) . . . . ? B2 B8 B11 B9 101.86(10) . . . . ? Cl7 B8 B11 B9 -110.78(11) . . . . ? B3 B8 B11 B9 37.86(9) . . . . ? B7 B8 B11 B9 138.49(9) . . . . ? B5 B10 B11 Cl10 147.42(9) . . . . ? Cl9 B10 B11 Cl10 0.88(15) . . . . ? B9 B10 B11 Cl10 -110.84(11) . . . . ? B4 B10 B11 Cl10 -148.55(9) . . . . ? B6 B10 B11 Cl10 110.88(11) . . . . ? B5 B10 B11 B8 -65.99(12) . . . . ? Cl9 B10 B11 B8 147.46(9) . . . . ? B9 B10 B11 B8 35.75(9) . . . . ? B4 B10 B11 B8 -1.96(12) . . . . ? B6 B10 B11 B8 -102.54(10) . . . . ? B5 B10 B11 B7 -1.17(13) . . . . ? Cl9 B10 B11 B7 -147.72(9) . . . . ? B9 B10 B11 B7 100.57(10) . . . . ? B4 B10 B11 B7 62.86(12) . . . . ? B6 B10 B11 B7 -37.72(9) . . . . ? B5 B10 B11 B6 36.55(9) . . . . ? Cl9 B10 B11 B6 -110.00(11) . . . . ? B9 B10 B11 B6 138.28(9) . . . . ? B4 B10 B11 B6 100.57(10) . . . . ? B5 B10 B11 B9 -101.74(10) . . . . ? Cl9 B10 B11 B9 111.72(11) . . . . ? B4 B10 B11 B9 -37.71(9) . . . . ? B6 B10 B11 B9 -138.28(9) . . . . ? B2 B7 B11 Cl10 146.49(9) . . . . ? Cl6 B7 B11 Cl10 0.29(15) . . . . ? B1 B7 B11 Cl10 -149.98(9) . . . . ? B8 B7 B11 Cl10 110.39(11) . . . . ? B6 B7 B11 Cl10 -111.22(11) . . . . ? B2 B7 B11 B8 36.10(9) . . . . ? Cl6 B7 B11 B8 -110.10(11) . . . . ? B1 B7 B11 B8 99.63(10) . . . . ? B6 B7 B11 B8 138.38(9) . . . . ? B2 B7 B11 B10 -64.52(12) . . . . ? Cl6 B7 B11 B10 149.28(9) . . . . ? B1 B7 B11 B10 -0.99(12) . . . . ? B8 B7 B11 B10 -100.62(10) . . . . ? B6 B7 B11 B10 37.76(9) . . . . ? B2 B7 B11 B6 -102.28(10) . . . . ? Cl6 B7 B11 B6 111.51(11) . . . . ? B1 B7 B11 B6 -38.75(9) . . . . ? B8 B7 B11 B6 -138.38(9) . . . . ? B2 B7 B11 B9 -1.00(12) . . . . ? Cl6 B7 B11 B9 -147.20(9) . . . . ? B1 B7 B11 B9 62.53(11) . . . . ? B8 B7 B11 B9 -37.10(9) . . . . ? B6 B7 B11 B9 101.28(10) . . . . ? B5 B6 B11 Cl10 -147.48(9) . . . . ? Cl5 B6 B11 Cl10 -1.53(15) . . . . ? B1 B6 B11 Cl10 148.61(9) . . . . ? B7 B6 B11 Cl10 109.97(11) . . . . ? B10 B6 B11 Cl10 -111.34(11) . . . . ? B5 B6 B11 B8 64.56(12) . . . . ? Cl5 B6 B11 B8 -149.49(9) . . . . ? B1 B6 B11 B8 0.65(12) . . . . ? B7 B6 B11 B8 -37.99(9) . . . . ? B10 B6 B11 B8 100.70(10) . . . . ? B5 B6 B11 B10 -36.14(9) . . . . ? Cl5 B6 B11 B10 109.81(11) . . . . ? B1 B6 B11 B10 -100.05(10) . . . . ? B7 B6 B11 B10 -138.69(9) . . . . ? B5 B6 B11 B7 102.55(10) . . . . ? Cl5 B6 B11 B7 -111.50(11) . . . . ? B1 B6 B11 B7 38.65(9) . . . . ? B10 B6 B11 B7 138.69(9) . . . . ? B5 B6 B11 B9 1.13(12) . . . . ? Cl5 B6 B11 B9 147.08(9) . . . . ? B1 B6 B11 B9 -62.77(11) . . . . ? B7 B6 B11 B9 -101.42(10) . . . . ? B10 B6 B11 B9 37.28(9) . . . . ? B3 B9 B11 Cl10 -147.32(9) . . . . ? Cl8 B9 B11 Cl10 -0.30(15) . . . . ? B4 B9 B11 Cl10 148.45(9) . . . . ? B8 B9 B11 Cl10 -109.36(11) . . . . ? B10 B9 B11 Cl10 110.64(11) . . . . ? B3 B9 B11 B8 -37.96(9) . . . . ? Cl8 B9 B11 B8 109.06(11) . . . . ? B4 B9 B11 B8 -102.19(10) . . . . ? B10 B9 B11 B8 -140.00(10) . . . . ? B3 B9 B11 B10 102.04(10) . . . . ? Cl8 B9 B11 B10 -110.94(11) . . . . ? B4 B9 B11 B10 37.81(9) . . . . ? B8 B9 B11 B10 140.00(10) . . . . ? B3 B9 B11 B7 -0.30(12) . . . . ? Cl8 B9 B11 B7 146.72(9) . . . . ? B4 B9 B11 B7 -64.53(11) . . . . ? B8 B9 B11 B7 37.66(9) . . . . ? B10 B9 B11 B7 -102.34(10) . . . . ? B3 B9 B11 B6 64.22(12) . . . . ? Cl8 B9 B11 B6 -148.76(9) . . . . ? B4 B9 B11 B6 -0.01(12) . . . . ? B8 B9 B11 B6 102.18(10) . . . . ? B10 B9 B11 B6 -37.82(9) . . . . ? C1 B3 Cl2 Cs1 -178.55(8) . . . . ? B9 B3 Cl2 Cs1 -37.40(11) . . . . ? B8 B3 Cl2 Cs1 38.88(12) . . . . ? B2 B3 Cl2 Cs1 110.39(9) . . . . ? B4 B3 Cl2 Cs1 -109.41(9) . . . . ? O3S Cs1 Cl2 B3 -105.86(5) . . . . ? N1 Cs1 Cl2 B3 18.17(6) 4_566 . . . ? N2 Cs1 Cl2 B3 35.22(5) 4_566 . . . ? C5 Cs1 Cl2 B3 149.24(6) 2_655 . . . ? C4 Cs1 Cl2 B3 121.20(6) 2_655 . . . ? C5S Cs1 Cl2 B3 -116.39(6) . . . . ? C1S Cs1 Cl2 B3 -103.00(6) . . . . ? Cl8 Cs1 Cl2 B3 32.04(5) . . . . ? C6 Cs1 Cl2 B3 144.78(5) 2_655 . . . ? Cl7 Cs1 Cl2 B3 -33.32(5) . . . . ? Cl10 Cs1 Cl2 B3 -162.28(5) 1_455 . . . ? B2 B8 Cl7 Cs1 -102.63(9) . . . . ? B3 B8 Cl7 Cs1 -29.81(10) . . . . ? B11 B8 Cl7 Cs1 114.52(9) . . . . ? B9 B8 Cl7 Cs1 41.59(10) . . . . ? B7 B8 Cl7 Cs1 -173.79(8) . . . . ? O3S Cs1 Cl7 B8 137.42(5) . . . . ? N1 Cs1 Cl7 B8 -115.34(5) 4_566 . . . ? N2 Cs1 Cl7 B8 -94.72(5) 4_566 . . . ? C5 Cs1 Cl7 B8 -158.21(12) 2_655 . . . ? C4 Cs1 Cl7 B8 -116.68(6) 2_655 . . . ? Cl2 Cs1 Cl7 B8 31.69(5) . . . . ? C5S Cs1 Cl7 B8 164.85(5) . . . . ? C1S Cs1 Cl7 B8 102.10(5) . . . . ? Cl8 Cs1 Cl7 B8 -40.60(5) . . . . ? C6 Cs1 Cl7 B8 21.10(13) 2_655 . . . ? Cl10 Cs1 Cl7 B8 98.49(5) 1_455 . . . ? B3 B9 Cl8 Cs1 27.89(10) . . . . ? B4 B9 Cl8 Cs1 101.20(9) . . . . ? B8 B9 Cl8 Cs1 -43.60(10) . . . . ? B10 B9 Cl8 Cs1 173.79(8) . . . . ? B11 B9 Cl8 Cs1 -114.57(9) . . . . ? O3S Cs1 Cl8 B9 38.64(5) . . . . ? N1 Cs1 Cl8 B9 140.02(5) 4_566 . . . ? N2 Cs1 Cl8 B9 153.01(5) 4_566 . . . ? C5 Cs1 Cl8 B9 -151.44(5) 2_655 . . . ? C4 Cs1 Cl8 B9 -169.72(5) 2_655 . . . ? Cl2 Cs1 Cl8 B9 -30.15(5) . . . . ? C5S Cs1 Cl8 B9 99.98(7) . . . . ? C1S Cs1 Cl8 B9 8.87(5) . . . . ? C6 Cs1 Cl8 B9 -128.85(5) 2_655 . . . ? Cl7 Cs1 Cl8 B9 41.37(5) . . . . ? Cl10 Cs1 Cl8 B9 -56.41(5) 1_455 . . . ? B8 B11 Cl10 Cs1 172.39(6) . . . 1_655 ? B10 B11 Cl10 Cs1 -45.01(13) . . . 1_655 ? B7 B11 Cl10 Cs1 100.24(10) . . . 1_655 ? B6 B11 Cl10 Cs1 27.93(13) . . . 1_655 ? B9 B11 Cl10 Cs1 -116.56(9) . . . 1_655 ? B1 C1 N1 N2 0.21(13) . . . . ? B3 C1 N1 N2 -139.34(12) . . . . ? B4 C1 N1 N2 138.91(12) . . . . ? B2 C1 N1 N2 -66.88(13) . . . . ? B5 C1 N1 N2 67.56(13) . . . . ? B1 C1 N1 Cs1 -142.65(11) . . . 4_565 ? B3 C1 N1 Cs1 77.80(17) . . . 4_565 ? B4 C1 N1 Cs1 -4.0(2) . . . 4_565 ? B2 C1 N1 Cs1 150.25(10) . . . 4_565 ? B5 C1 N1 Cs1 -75.30(16) . . . 4_565 ? C1 N1 N2 N3 0.09(15) . . . . ? Cs1 N1 N2 N3 160.30(9) 4_565 . . . ? C1 N1 N2 Cs1 -160.21(10) . . . 4_565 ? N1 N2 N3 C2 179.53(11) . . . . ? Cs1 N2 N3 C2 -102.8(3) 4_565 . . . ? N1 N2 N3 B1 -0.41(15) . . . . ? Cs1 N2 N3 B1 77.2(3) 4_565 . . . ? C1 B1 N3 N2 0.46(12) . . . . ? B7 B1 N3 N2 127.81(16) . . . . ? B6 B1 N3 N2 -125.61(16) . . . . ? B2 B1 N3 N2 61.64(13) . . . . ? B5 B1 N3 N2 -60.55(13) . . . . ? C1 B1 N3 C2 -179.47(11) . . . . ? B7 B1 N3 C2 -52.1(2) . . . . ? B6 B1 N3 C2 54.5(2) . . . . ? B2 B1 N3 C2 -118.30(13) . . . . ? B5 B1 N3 C2 119.52(13) . . . . ? N2 N3 C2 C7 -176.49(11) . . . . ? B1 N3 C2 C7 3.43(19) . . . . ? N2 N3 C2 C3 4.30(17) . . . . ? B1 N3 C2 C3 -175.77(12) . . . . ? C7 C2 C3 C4 -0.90(19) . . . . ? N3 C2 C3 C4 178.29(12) . . . . ? C2 C3 C4 C5 0.3(2) . . . . ? C2 C3 C4 Cs1 77.56(12) . . . 2_645 ? C3 C4 C5 C6 0.4(2) . . . . ? Cs1 C4 C5 C6 -84.09(12) 2_645 . . . ? C3 C4 C5 Cs1 84.49(12) . . . 2_645 ? C4 C5 C6 C7 -0.6(2) . . . . ? Cs1 C5 C6 C7 -78.63(13) 2_645 . . . ? C4 C5 C6 Cs1 78.06(12) . . . 2_645 ? C5 C6 C7 C2 0.0(2) . . . . ? Cs1 C6 C7 C2 -66.39(12) 2_645 . . . ? C3 C2 C7 C6 0.7(2) . . . . ? N3 C2 C7 C6 -178.47(12) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 29.57 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.182 _refine_diff_density_min -0.802 _refine_diff_density_rms 0.064