Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _journal_volume ? _journal_page_first ? _journal_year ? _publ_contact_author_name 'Christopher A. Reed' _publ_contact_author_email CHRIS.REED@UCR.EDU _publ_section_title ; Can the hexamethylhydrazinium dication [Me3N-NMe3]2+ be prepared? ; loop_ _publ_author_name 'C Reed' 'Yun Zhang.' # Attachment 'cr201_0m.cif' data_cr201_0m _database_code_depnum_ccdc_archive 'CCDC 679173' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C12 H20 B22 Cl24 N2' _chemical_formula_weight 1280.92 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.0345(8) _cell_length_b 15.8644(15) _cell_length_c 17.1466(16) _cell_angle_alpha 86.776(2) _cell_angle_beta 76.961(2) _cell_angle_gamma 83.128(2) _cell_volume 2375.9(4) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9884 _cell_measurement_theta_min 2.33 _cell_measurement_theta_max 31.31 _exptl_crystal_description 'needle frag' _exptl_crystal_colour colourless _exptl_crystal_size_max 0.29 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.790 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1248 _exptl_absorpt_coefficient_mu 1.398 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6906 _exptl_absorpt_correction_T_max 0.9436 _exptl_absorpt_process_details 'Bruker SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Normal-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 41076 _diffrn_reflns_av_R_equivalents 0.0554 _diffrn_reflns_av_sigmaI/netI 0.0656 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _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 1.75 _diffrn_reflns_theta_max 30.51 _reflns_number_total 14342 _reflns_number_gt 10073 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 14342 _refine_ls_number_parameters 559 _refine_ls_number_restraints 22 _refine_ls_R_factor_all 0.0717 _refine_ls_R_factor_gt 0.0409 _refine_ls_wR_factor_ref 0.1003 _refine_ls_wR_factor_gt 0.0875 _refine_ls_goodness_of_fit_ref 1.004 _refine_ls_restrained_S_all 1.003 _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 C1 C 0.2728(3) 0.71242(16) -0.00141(15) 0.0124(5) Uani 1 1 d D . . H1 H 0.2809(14) 0.6777(8) -0.0462(7) 0.015 Uiso 1 1 d D . . B2 B 0.2385(3) 0.66201(18) 0.09156(17) 0.0124(5) Uani 1 1 d D . . B3 B 0.0943(3) 0.73382(18) 0.05937(17) 0.0132(5) Uani 1 1 d D . . B4 B 0.1875(3) 0.81432(18) -0.00525(17) 0.0130(5) Uani 1 1 d D . . B5 B 0.3900(3) 0.79187(18) -0.01281(17) 0.0135(5) Uani 1 1 d D . . B6 B 0.4217(3) 0.69769(18) 0.04715(17) 0.0123(5) Uani 1 1 d D . . B7 B 0.3333(3) 0.71922(18) 0.14847(17) 0.0126(5) Uani 1 1 d . . . B8 B 0.1314(3) 0.74256(18) 0.15641(17) 0.0128(5) Uani 1 1 d . . . B9 B 0.1007(3) 0.83548(18) 0.09633(17) 0.0113(5) Uani 1 1 d . . . B10 B 0.2814(3) 0.87280(17) 0.05141(17) 0.0114(5) Uani 1 1 d . . . B11 B 0.4250(3) 0.79984(18) 0.08399(17) 0.0125(5) Uani 1 1 d . . . B12 B 0.2474(3) 0.82689(18) 0.15081(17) 0.0117(5) Uani 1 1 d . . . Cl1 Cl 0.21814(7) 0.55313(4) 0.10539(4) 0.01728(13) Uani 1 1 d . . . Cl2 Cl -0.06829(7) 0.69558(4) 0.04047(4) 0.01787(13) Uani 1 1 d . . . Cl3 Cl 0.11170(7) 0.85798(4) -0.08685(4) 0.01737(13) Uani 1 1 d . . . Cl4 Cl 0.52247(7) 0.80806(4) -0.10372(4) 0.01796(13) Uani 1 1 d . . . Cl5 Cl 0.58215(7) 0.62330(4) 0.01595(4) 0.01719(13) Uani 1 1 d . . . Cl6 Cl 0.40924(7) 0.66791(4) 0.22785(4) 0.01639(13) Uani 1 1 d . . . Cl7 Cl -0.00106(7) 0.71816(4) 0.24635(4) 0.01685(13) Uani 1 1 d . . . Cl8 Cl -0.06696(7) 0.91057(4) 0.12209(4) 0.01454(12) Uani 1 1 d . . . Cl9 Cl 0.30031(7) 0.98228(4) 0.03216(4) 0.01638(13) Uani 1 1 d . . . Cl10 Cl 0.59676(7) 0.83553(4) 0.09970(4) 0.01508(12) Uani 1 1 d . . . Cl11 Cl 0.23164(7) 0.89243(4) 0.23456(4) 0.01348(12) Uani 1 1 d . . . C1" C 0.1480(3) 0.65889(16) 0.64490(15) 0.0125(5) Uani 1 1 d D . . H1" H 0.1953(14) 0.6108(7) 0.6697(7) 0.015 Uiso 1 1 d D . . B2" B 0.2619(3) 0.71369(18) 0.57064(17) 0.0124(5) Uani 1 1 d D . . B3" B 0.1837(3) 0.75666(18) 0.66771(17) 0.0127(5) Uani 1 1 d D . . B4" B -0.0001(3) 0.71945(18) 0.70598(17) 0.0139(5) Uani 1 1 d D . . B5" B -0.0329(3) 0.65337(18) 0.63192(17) 0.0135(5) Uani 1 1 d D . . B6" B 0.1279(3) 0.65006(19) 0.54849(17) 0.0143(6) Uani 1 1 d D . . B7" B 0.1401(3) 0.75440(19) 0.50631(17) 0.0139(6) Uani 1 1 d . . . B8" B 0.1751(3) 0.82020(18) 0.58033(17) 0.0127(5) Uani 1 1 d . . . B9" B 0.0140(3) 0.82418(19) 0.66320(18) 0.0143(6) Uani 1 1 d . . . B10" B -0.1206(3) 0.75964(19) 0.64112(17) 0.0134(5) Uani 1 1 d . . . B11" B -0.0422(3) 0.71619(19) 0.54361(17) 0.0137(5) Uani 1 1 d . . . B12" B -0.0141(3) 0.82230(19) 0.56325(18) 0.0144(6) Uani 1 1 d . . . Cl12 Cl 0.46072(7) 0.68545(4) 0.53909(4) 0.01740(13) Uani 1 1 d . . . Cl13 Cl 0.30495(7) 0.76890(4) 0.73288(4) 0.01627(13) Uani 1 1 d . . . Cl14 Cl -0.06038(7) 0.69439(4) 0.80865(4) 0.01853(13) Uani 1 1 d . . . Cl15 Cl -0.12518(7) 0.56097(4) 0.66273(4) 0.01938(14) Uani 1 1 d . . . Cl16 Cl 0.19264(7) 0.55558(4) 0.49492(4) 0.01983(14) Uani 1 1 d . . . Cl17 Cl 0.21289(8) 0.77352(5) 0.40258(4) 0.02103(14) Uani 1 1 d . . . Cl18 Cl 0.29052(7) 0.90620(4) 0.55260(4) 0.01788(13) Uani 1 1 d . . . Cl19 Cl -0.04480(8) 0.91526(4) 0.72361(4) 0.01963(14) Uani 1 1 d . . . Cl20 Cl -0.32114(7) 0.78448(4) 0.67717(4) 0.01980(14) Uani 1 1 d . . . Cl21 Cl -0.15817(7) 0.69599(5) 0.47674(4) 0.02109(14) Uani 1 1 d . . . Cl22 Cl -0.10515(8) 0.91211(4) 0.51840(4) 0.02095(14) Uani 1 1 d . . . N1' N 0.3343(2) 0.11707(14) 0.71811(13) 0.0135(4) Uani 1 1 d . . . H1' H 0.282(3) 0.1248(18) 0.7664(17) 0.011(7) Uiso 1 1 d . . . C1' C 0.3921(3) 0.19939(17) 0.68392(18) 0.0211(6) Uani 1 1 d . . . H1'A H 0.4656 0.2149 0.7134 0.032 Uiso 1 1 calc R . . H1'B H 0.3061 0.2442 0.6888 0.032 Uiso 1 1 calc R . . H1'C H 0.4424 0.1928 0.6273 0.032 Uiso 1 1 calc R . . C2' C 0.2338(3) 0.08559(19) 0.67003(18) 0.0226(6) Uani 1 1 d . . . H2'A H 0.2016 0.0309 0.6928 0.034 Uiso 1 1 calc R . . H2'B H 0.2906 0.0784 0.6145 0.034 Uiso 1 1 calc R . . H2'C H 0.1435 0.1269 0.6713 0.034 Uiso 1 1 calc R . . N2' N 0.4647(3) 0.05355(14) 0.72928(13) 0.0144(4) Uani 1 1 d . . . H2' H 0.525(3) 0.0812(19) 0.7535(17) 0.011(7) Uiso 1 1 d . . . C3' C 0.5646(3) 0.02246(19) 0.65168(16) 0.0217(6) Uani 1 1 d . . . H3'A H 0.5947 0.0712 0.6164 0.033 Uiso 1 1 calc R . . H3'B H 0.5081 -0.0123 0.6257 0.033 Uiso 1 1 calc R . . H3'C H 0.6561 -0.0117 0.6622 0.033 Uiso 1 1 calc R . . C4' C 0.4130(3) -0.01927(18) 0.78502(18) 0.0241(6) Uani 1 1 d . . . H4'A H 0.3508 0.0030 0.8356 0.036 Uiso 1 1 calc R . . H4'B H 0.5026 -0.0556 0.7954 0.036 Uiso 1 1 calc R . . H4'C H 0.3521 -0.0525 0.7603 0.036 Uiso 1 1 calc R . . C1S C 0.4010(3) 0.53735(16) 0.77067(16) 0.0165(5) Uani 1 1 d . . . C2S C 0.2603(3) 0.51057(16) 0.80604(15) 0.0149(5) Uani 1 1 d . . . C3S C 0.1878(3) 0.46321(17) 0.76284(16) 0.0187(5) Uani 1 1 d . . . H3SA H 0.0908 0.4452 0.7868 0.022 Uiso 1 1 calc R . . C4S C 0.2580(3) 0.44262(17) 0.68483(17) 0.0201(6) Uani 1 1 d . . . H4SA H 0.2094 0.4098 0.6554 0.024 Uiso 1 1 calc R . . C5S C 0.3990(3) 0.46960(17) 0.64927(16) 0.0187(6) Uani 1 1 d . . . H5SA H 0.4465 0.4555 0.5956 0.022 Uiso 1 1 calc R . . C6S C 0.4702(3) 0.51732(17) 0.69233(16) 0.0185(5) Uani 1 1 d . . . H6SA H 0.5664 0.5362 0.6681 0.022 Uiso 1 1 calc R . . Cl1S Cl 0.49512(8) 0.59471(4) 0.82366(4) 0.02180(14) Uani 1 1 d . . . Cl2S Cl 0.17035(8) 0.53491(4) 0.90380(4) 0.02004(14) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0138(11) 0.0105(12) 0.0120(11) -0.0045(9) -0.0009(9) 0.0009(9) B2 0.0153(13) 0.0073(12) 0.0138(13) -0.0003(10) -0.0015(11) -0.0021(10) B3 0.0137(13) 0.0100(13) 0.0152(14) -0.0025(10) -0.0009(11) -0.0013(10) B4 0.0138(13) 0.0110(13) 0.0135(13) -0.0004(10) -0.0020(11) -0.0007(10) B5 0.0165(13) 0.0100(13) 0.0132(13) 0.0003(10) -0.0010(11) -0.0023(10) B6 0.0135(12) 0.0104(13) 0.0120(13) -0.0013(10) -0.0012(10) -0.0008(10) B7 0.0152(13) 0.0099(13) 0.0123(13) 0.0000(10) -0.0024(10) -0.0014(10) B8 0.0150(13) 0.0085(12) 0.0137(13) -0.0012(10) -0.0004(11) -0.0021(10) B9 0.0121(12) 0.0087(12) 0.0122(13) -0.0014(10) -0.0014(10) 0.0001(10) B10 0.0129(12) 0.0083(12) 0.0113(13) -0.0013(10) 0.0011(10) -0.0014(10) B11 0.0131(12) 0.0112(13) 0.0129(13) -0.0006(10) -0.0017(10) -0.0022(10) B12 0.0126(12) 0.0094(13) 0.0113(13) -0.0007(10) 0.0004(10) -0.0002(10) Cl1 0.0215(3) 0.0076(3) 0.0216(3) -0.0013(2) -0.0022(2) -0.0018(2) Cl2 0.0143(3) 0.0153(3) 0.0250(3) -0.0048(3) -0.0046(2) -0.0032(2) Cl3 0.0214(3) 0.0169(3) 0.0144(3) 0.0003(2) -0.0063(2) -0.0001(2) Cl4 0.0192(3) 0.0176(3) 0.0134(3) 0.0008(2) 0.0037(2) -0.0018(2) Cl5 0.0152(3) 0.0139(3) 0.0208(3) -0.0049(2) -0.0020(2) 0.0033(2) Cl6 0.0221(3) 0.0110(3) 0.0160(3) 0.0012(2) -0.0059(2) 0.0013(2) Cl7 0.0186(3) 0.0129(3) 0.0159(3) 0.0002(2) 0.0039(2) -0.0042(2) Cl8 0.0126(3) 0.0108(3) 0.0181(3) -0.0002(2) -0.0004(2) 0.0012(2) Cl9 0.0189(3) 0.0087(3) 0.0202(3) 0.0026(2) -0.0013(2) -0.0034(2) Cl10 0.0131(3) 0.0140(3) 0.0181(3) -0.0018(2) -0.0024(2) -0.0029(2) Cl11 0.0163(3) 0.0106(3) 0.0126(3) -0.0033(2) -0.0012(2) -0.0005(2) C1" 0.0138(11) 0.0093(11) 0.0135(12) -0.0015(9) -0.0016(9) -0.0002(9) B2" 0.0135(12) 0.0105(13) 0.0122(13) -0.0021(10) -0.0001(10) -0.0015(10) B3" 0.0154(13) 0.0106(13) 0.0118(13) -0.0022(10) -0.0021(10) -0.0007(10) B4" 0.0170(13) 0.0111(13) 0.0124(13) -0.0036(10) -0.0007(11) -0.0002(11) B5" 0.0146(13) 0.0124(13) 0.0128(13) -0.0023(11) -0.0012(11) -0.0018(11) B6" 0.0157(13) 0.0131(14) 0.0134(13) -0.0019(11) -0.0007(11) -0.0031(11) B7" 0.0151(13) 0.0163(14) 0.0095(13) -0.0027(11) -0.0003(10) -0.0022(11) B8" 0.0128(12) 0.0130(13) 0.0116(13) -0.0006(10) -0.0002(10) -0.0028(10) B9" 0.0156(13) 0.0120(13) 0.0149(14) -0.0034(11) -0.0025(11) 0.0001(11) B10" 0.0112(12) 0.0140(14) 0.0131(13) -0.0002(11) 0.0013(10) -0.0016(10) B11" 0.0133(13) 0.0154(14) 0.0123(13) -0.0013(11) -0.0016(10) -0.0034(11) B12" 0.0142(13) 0.0132(14) 0.0152(14) -0.0010(11) -0.0021(11) -0.0009(11) Cl12 0.0120(3) 0.0198(3) 0.0188(3) -0.0041(2) 0.0008(2) -0.0017(2) Cl13 0.0163(3) 0.0186(3) 0.0151(3) -0.0030(2) -0.0051(2) -0.0026(2) Cl14 0.0215(3) 0.0207(3) 0.0117(3) 0.0004(2) 0.0007(2) -0.0039(3) Cl15 0.0203(3) 0.0149(3) 0.0231(3) -0.0004(2) -0.0012(3) -0.0095(2) Cl16 0.0215(3) 0.0157(3) 0.0214(3) -0.0099(3) -0.0004(3) -0.0022(2) Cl17 0.0227(3) 0.0288(4) 0.0111(3) 0.0011(3) -0.0001(2) -0.0082(3) Cl18 0.0218(3) 0.0128(3) 0.0193(3) 0.0015(2) -0.0025(2) -0.0080(2) Cl19 0.0229(3) 0.0124(3) 0.0219(3) -0.0070(2) -0.0019(3) 0.0019(2) Cl20 0.0121(3) 0.0229(3) 0.0222(3) -0.0030(3) 0.0004(2) 0.0000(2) Cl21 0.0180(3) 0.0294(4) 0.0184(3) -0.0038(3) -0.0066(3) -0.0064(3) Cl22 0.0235(3) 0.0162(3) 0.0236(3) 0.0048(3) -0.0087(3) 0.0004(3) N1' 0.0143(10) 0.0118(10) 0.0130(10) -0.0025(8) 0.0007(8) -0.0020(8) C1' 0.0215(13) 0.0133(13) 0.0264(15) 0.0035(11) 0.0001(11) -0.0050(11) C2' 0.0191(13) 0.0227(15) 0.0293(16) -0.0095(12) -0.0101(12) -0.0020(11) N2' 0.0170(10) 0.0110(10) 0.0147(11) -0.0007(8) -0.0027(9) -0.0016(8) C3' 0.0211(13) 0.0222(15) 0.0191(14) -0.0072(11) 0.0009(11) 0.0021(11) C4' 0.0299(15) 0.0122(13) 0.0270(16) 0.0033(11) -0.0015(12) -0.0008(11) C1S 0.0204(13) 0.0083(11) 0.0222(14) 0.0002(10) -0.0086(11) 0.0002(10) C2S 0.0223(13) 0.0082(11) 0.0130(12) -0.0010(9) -0.0023(10) 0.0003(10) C3S 0.0253(14) 0.0105(12) 0.0201(14) -0.0009(10) -0.0028(11) -0.0054(10) C4S 0.0276(14) 0.0117(13) 0.0215(14) -0.0024(10) -0.0055(12) -0.0028(11) C5S 0.0247(14) 0.0138(13) 0.0145(13) -0.0002(10) -0.0011(11) 0.0043(11) C6S 0.0165(12) 0.0169(13) 0.0201(14) 0.0005(11) -0.0022(11) 0.0020(10) Cl1S 0.0212(3) 0.0215(3) 0.0248(3) -0.0029(3) -0.0083(3) -0.0036(3) Cl2S 0.0259(3) 0.0175(3) 0.0152(3) -0.0021(2) -0.0003(3) -0.0032(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 B4 1.710(4) . ? C1 B5 1.716(4) . ? C1 B3 1.718(4) . ? C1 B6 1.722(4) . ? C1 B2 1.723(4) . ? C1 H1 0.955(10) . ? B2 Cl1 1.756(3) . ? B2 B7 1.781(4) . ? B2 B8 1.784(4) . ? B2 B3 1.788(4) . ? B2 B6 1.802(4) . ? B3 Cl2 1.755(3) . ? B3 B9 1.778(4) . ? B3 B8 1.786(4) . ? B3 B4 1.801(4) . ? B4 Cl3 1.765(3) . ? B4 B9 1.774(4) . ? B4 B10 1.785(4) . ? B4 B5 1.799(4) . ? B5 Cl4 1.765(3) . ? B5 B11 1.772(4) . ? B5 B10 1.787(4) . ? B5 B6 1.797(4) . ? B6 Cl5 1.758(3) . ? B6 B7 1.774(4) . ? B6 B11 1.778(4) . ? B7 Cl6 1.774(3) . ? B7 B12 1.788(4) . ? B7 B8 1.793(4) . ? B7 B11 1.796(4) . ? B8 B12 1.781(4) . ? B8 B9 1.781(4) . ? B8 Cl7 1.781(3) . ? B9 B12 1.774(4) . ? B9 B10 1.795(4) . ? B9 Cl8 1.799(3) . ? B10 Cl9 1.771(3) . ? B10 B12 1.791(4) . ? B10 B11 1.797(4) . ? B11 B12 1.770(4) . ? B11 Cl10 1.794(3) . ? B12 Cl11 1.790(3) . ? C1" B3" 1.706(4) . ? C1" B5" 1.711(4) . ? C1" B2" 1.713(4) . ? C1" B6" 1.718(4) . ? C1" B4" 1.727(4) . ? C1" H1" 0.955(10) . ? B2" Cl12 1.765(3) . ? B2" B7" 1.773(4) . ? B2" B8" 1.776(4) . ? B2" B6" 1.781(4) . ? B2" B3" 1.793(4) . ? B3" Cl13 1.764(3) . ? B3" B8" 1.770(4) . ? B3" B9" 1.776(4) . ? B3" B4" 1.799(4) . ? B4" Cl14 1.759(3) . ? B4" B10" 1.769(4) . ? B4" B9" 1.785(4) . ? B4" B5" 1.787(4) . ? B5" Cl15 1.769(3) . ? B5" B10" 1.774(4) . ? B5" B11" 1.778(4) . ? B5" B6" 1.792(4) . ? B6" B11" 1.770(4) . ? B6" Cl16 1.771(3) . ? B6" B7" 1.774(4) . ? B7" Cl17 1.774(3) . ? B7" B12" 1.789(4) . ? B7" B8" 1.791(4) . ? B7" B11" 1.792(4) . ? B8" B9" 1.788(4) . ? B8" B12" 1.794(4) . ? B8" Cl18 1.794(3) . ? B9" Cl19 1.783(3) . ? B9" B12" 1.791(4) . ? B9" B10" 1.794(4) . ? B10" Cl20 1.781(3) . ? B10" B12" 1.788(4) . ? B10" B11" 1.803(4) . ? B11" Cl21 1.783(3) . ? B11" B12" 1.793(4) . ? B12" Cl22 1.783(3) . ? N1' N2' 1.495(3) . ? N1' C2' 1.498(3) . ? N1' C1' 1.504(3) . ? N1' H1' 0.86(3) . ? C1' H1'A 0.9800 . ? C1' H1'B 0.9800 . ? C1' H1'C 0.9800 . ? C2' H2'A 0.9800 . ? C2' H2'B 0.9800 . ? C2' H2'C 0.9800 . ? N2' C3' 1.501(3) . ? N2' C4' 1.506(3) . ? N2' H2' 0.92(3) . ? C3' H3'A 0.9800 . ? C3' H3'B 0.9800 . ? C3' H3'C 0.9800 . ? C4' H4'A 0.9800 . ? C4' H4'B 0.9800 . ? C4' H4'C 0.9800 . ? C1S C6S 1.385(4) . ? C1S C2S 1.385(4) . ? C1S Cl1S 1.733(3) . ? C2S C3S 1.393(4) . ? C2S Cl2S 1.733(3) . ? C3S C4S 1.384(4) . ? C3S H3SA 0.9500 . ? C4S C5S 1.388(4) . ? C4S H4SA 0.9500 . ? C5S C6S 1.388(4) . ? C5S H5SA 0.9500 . ? C6S H6SA 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 B4 C1 B5 63.32(16) . . ? B4 C1 B3 63.38(16) . . ? B5 C1 B3 116.01(19) . . ? B4 C1 B6 115.7(2) . . ? B5 C1 B6 63.01(16) . . ? B3 C1 B6 115.3(2) . . ? B4 C1 B2 115.52(19) . . ? B5 C1 B2 115.6(2) . . ? B3 C1 B2 62.60(16) . . ? B6 C1 B2 63.08(16) . . ? B4 C1 H1 118.0(8) . . ? B5 C1 H1 117.7(8) . . ? B3 C1 H1 117.1(8) . . ? B6 C1 H1 116.7(8) . . ? B2 C1 H1 116.3(8) . . ? C1 B2 Cl1 123.05(18) . . ? C1 B2 B7 103.67(19) . . ? Cl1 B2 B7 124.40(19) . . ? C1 B2 B8 103.83(19) . . ? Cl1 B2 B8 124.68(18) . . ? B7 B2 B8 60.37(16) . . ? C1 B2 B3 58.56(15) . . ? Cl1 B2 B3 120.50(19) . . ? B7 B2 B3 108.38(19) . . ? B8 B2 B3 59.99(16) . . ? C1 B2 B6 58.43(15) . . ? Cl1 B2 B6 120.69(18) . . ? B7 B2 B6 59.35(16) . . ? B8 B2 B6 107.64(19) . . ? B3 B2 B6 108.12(19) . . ? C1 B3 Cl2 122.34(19) . . ? C1 B3 B9 103.15(19) . . ? Cl2 B3 B9 125.73(18) . . ? C1 B3 B8 103.96(19) . . ? Cl2 B3 B8 125.05(19) . . ? B9 B3 B8 59.96(16) . . ? C1 B3 B2 58.83(15) . . ? Cl2 B3 B2 120.04(19) . . ? B9 B3 B2 107.7(2) . . ? B8 B3 B2 59.90(16) . . ? C1 B3 B4 58.09(15) . . ? Cl2 B3 B4 120.77(19) . . ? B9 B3 B4 59.43(16) . . ? B8 B3 B4 107.7(2) . . ? B2 B3 B4 108.02(19) . . ? C1 B4 Cl3 123.52(19) . . ? C1 B4 B9 103.64(19) . . ? Cl3 B4 B9 123.78(18) . . ? C1 B4 B10 104.5(2) . . ? Cl3 B4 B10 123.88(19) . . ? B9 B4 B10 60.56(16) . . ? C1 B4 B5 58.51(15) . . ? Cl3 B4 B5 121.78(18) . . ? B9 B4 B5 107.7(2) . . ? B10 B4 B5 59.82(16) . . ? C1 B4 B3 58.53(15) . . ? Cl3 B4 B3 119.92(19) . . ? B9 B4 B3 59.63(16) . . ? B10 B4 B3 108.7(2) . . ? B5 B4 B3 108.04(19) . . ? C1 B5 Cl4 121.22(19) . . ? C1 B5 B11 103.93(19) . . ? Cl4 B5 B11 125.11(19) . . ? C1 B5 B10 104.13(19) . . ? Cl4 B5 B10 126.17(19) . . ? B11 B5 B10 60.65(16) . . ? C1 B5 B6 58.65(15) . . ? Cl4 B5 B6 118.77(18) . . ? B11 B5 B6 59.75(16) . . ? B10 B5 B6 108.6(2) . . ? C1 B5 B4 58.17(15) . . ? Cl4 B5 B4 121.45(19) . . ? B11 B5 B4 107.81(19) . . ? B10 B5 B4 59.72(16) . . ? B6 B5 B4 107.84(19) . . ? C1 B6 Cl5 122.15(18) . . ? C1 B6 B7 104.02(19) . . ? Cl5 B6 B7 124.76(19) . . ? C1 B6 B11 103.45(19) . . ? Cl5 B6 B11 125.55(19) . . ? B7 B6 B11 60.75(16) . . ? C1 B6 B5 58.34(16) . . ? Cl5 B6 B5 120.57(18) . . ? B7 B6 B5 108.33(19) . . ? B11 B6 B5 59.43(16) . . ? C1 B6 B2 58.49(15) . . ? Cl5 B6 B2 120.08(18) . . ? B7 B6 B2 59.74(16) . . ? B11 B6 B2 108.01(19) . . ? B5 B6 B2 107.98(19) . . ? B6 B7 Cl6 120.86(18) . . ? B6 B7 B2 60.91(16) . . ? Cl6 B7 B2 120.57(19) . . ? B6 B7 B12 107.1(2) . . ? Cl6 B7 B12 123.59(19) . . ? B2 B7 B12 107.3(2) . . ? B6 B7 B8 108.5(2) . . ? Cl6 B7 B8 121.79(18) . . ? B2 B7 B8 59.90(16) . . ? B12 B7 B8 59.63(16) . . ? B6 B7 B11 59.73(16) . . ? Cl6 B7 B11 122.69(19) . . ? B2 B7 B11 108.1(2) . . ? B12 B7 B11 59.19(15) . . ? B8 B7 B11 107.41(19) . . ? B12 B8 B9 59.74(16) . . ? B12 B8 Cl7 121.38(18) . . ? B9 B8 Cl7 122.28(18) . . ? B12 B8 B2 107.51(19) . . ? B9 B8 B2 107.71(19) . . ? Cl7 B8 B2 122.11(18) . . ? B12 B8 B3 107.54(19) . . ? B9 B8 B3 59.79(16) . . ? Cl7 B8 B3 122.71(19) . . ? B2 B8 B3 60.11(16) . . ? B12 B8 B7 60.06(16) . . ? B9 B8 B7 107.92(19) . . ? Cl7 B8 B7 120.89(19) . . ? B2 B8 B7 59.73(16) . . ? B3 B8 B7 107.97(19) . . ? B12 B9 B4 107.93(19) . . ? B12 B9 B3 108.21(19) . . ? B4 B9 B3 60.95(16) . . ? B12 B9 B8 60.13(16) . . ? B4 B9 B8 109.10(19) . . ? B3 B9 B8 60.25(16) . . ? B12 B9 B10 60.24(16) . . ? B4 B9 B10 60.03(16) . . ? B3 B9 B10 109.31(19) . . ? B8 B9 B10 109.23(19) . . ? B12 B9 Cl8 121.59(18) . . ? B4 B9 Cl8 120.83(18) . . ? B3 B9 Cl8 122.13(18) . . ? B8 B9 Cl8 122.19(18) . . ? B10 B9 Cl8 119.59(18) . . ? Cl9 B10 B4 122.16(19) . . ? Cl9 B10 B5 122.94(18) . . ? B4 B10 B5 60.46(16) . . ? Cl9 B10 B12 122.21(18) . . ? B4 B10 B12 106.70(19) . . ? B5 B10 B12 106.44(19) . . ? Cl9 B10 B9 121.81(18) . . ? B4 B10 B9 59.41(15) . . ? B5 B10 B9 107.25(19) . . ? B12 B10 B9 59.30(15) . . ? Cl9 B10 B11 122.85(18) . . ? B4 B10 B11 107.30(19) . . ? B5 B10 B11 59.26(16) . . ? B12 B10 B11 59.12(16) . . ? B9 B10 B11 106.52(19) . . ? B12 B11 B5 108.0(2) . . ? B12 B11 B6 107.76(19) . . ? B5 B11 B6 60.81(16) . . ? B12 B11 Cl10 120.70(19) . . ? B5 B11 Cl10 122.53(18) . . ? B6 B11 Cl10 122.32(18) . . ? B12 B11 B7 60.19(16) . . ? B5 B11 B7 108.5(2) . . ? B6 B11 B7 59.52(16) . . ? Cl10 B11 B7 120.87(19) . . ? B12 B11 B10 60.26(16) . . ? B5 B11 B10 60.08(16) . . ? B6 B11 B10 109.0(2) . . ? Cl10 B11 B10 120.91(18) . . ? B7 B11 B10 108.92(19) . . ? B11 B12 B9 108.6(2) . . ? B11 B12 B8 109.1(2) . . ? B9 B12 B8 60.13(16) . . ? B11 B12 B7 60.62(16) . . ? B9 B12 B7 108.4(2) . . ? B8 B12 B7 60.30(16) . . ? B11 B12 Cl11 121.54(19) . . ? B9 B12 Cl11 120.71(18) . . ? B8 B12 Cl11 121.31(18) . . ? B7 B12 Cl11 122.20(19) . . ? B11 B12 B10 60.62(16) . . ? B9 B12 B10 60.45(16) . . ? B8 B12 B10 109.4(2) . . ? B7 B12 B10 109.54(19) . . ? Cl11 B12 B10 119.83(18) . . ? B3" C1" B5" 115.13(19) . . ? B3" C1" B2" 63.28(16) . . ? B5" C1" B2" 115.1(2) . . ? B3" C1" B6" 115.1(2) . . ? B5" C1" B6" 63.00(16) . . ? B2" C1" B6" 62.54(16) . . ? B3" C1" B4" 63.22(16) . . ? B5" C1" B4" 62.64(16) . . ? B2" C1" B4" 115.8(2) . . ? B6" C1" B4" 115.2(2) . . ? B3" C1" H1" 117.0(8) . . ? B5" C1" H1" 117.4(8) . . ? B2" C1" H1" 117.8(8) . . ? B6" C1" H1" 118.1(8) . . ? B4" C1" H1" 116.5(8) . . ? C1" B2" Cl12 122.93(19) . . ? C1" B2" B7" 104.46(19) . . ? Cl12 B2" B7" 124.58(18) . . ? C1" B2" B8" 103.83(18) . . ? Cl12 B2" B8" 123.79(19) . . ? B7" B2" B8" 60.63(16) . . ? C1" B2" B6" 58.87(16) . . ? Cl12 B2" B6" 121.34(18) . . ? B7" B2" B6" 59.91(17) . . ? B8" B2" B6" 108.3(2) . . ? C1" B2" B3" 58.15(15) . . ? Cl12 B2" B3" 120.19(19) . . ? B7" B2" B3" 108.00(19) . . ? B8" B2" B3" 59.44(16) . . ? B6" B2" B3" 107.90(19) . . ? C1" B3" Cl13 121.74(19) . . ? C1" B3" B8" 104.4(2) . . ? Cl13 B3" B8" 124.69(19) . . ? C1" B3" B9" 104.7(2) . . ? Cl13 B3" B9" 124.87(19) . . ? B8" B3" B9" 60.54(16) . . ? C1" B3" B2" 58.57(15) . . ? Cl13 B3" B2" 120.08(18) . . ? B8" B3" B2" 59.79(16) . . ? B9" B3" B2" 108.3(2) . . ? C1" B3" B4" 58.97(15) . . ? Cl13 B3" B4" 120.32(19) . . ? B8" B3" B4" 108.4(2) . . ? B9" B3" B4" 59.90(16) . . ? B2" B3" B4" 108.41(19) . . ? C1" B4" Cl14 121.86(19) . . ? C1" B4" B10" 103.87(19) . . ? Cl14 B4" B10" 125.70(19) . . ? C1" B4" B9" 103.43(19) . . ? Cl14 B4" B9" 125.29(19) . . ? B10" B4" B9" 60.64(17) . . ? C1" B4" B5" 58.25(15) . . ? Cl14 B4" B5" 120.85(19) . . ? B10" B4" B5" 59.86(17) . . ? B9" B4" B5" 108.0(2) . . ? C1" B4" B3" 57.81(15) . . ? Cl14 B4" B3" 120.35(19) . . ? B10" B4" B3" 107.7(2) . . ? B9" B4" B3" 59.42(16) . . ? B5" B4" B3" 107.05(19) . . ? C1" B5" Cl15 120.38(19) . . ? C1" B5" B10" 104.3(2) . . ? Cl15 B5" B10" 125.98(19) . . ? C1" B5" B11" 104.28(19) . . ? Cl15 B5" B11" 125.95(19) . . ? B10" B5" B11" 61.01(17) . . ? C1" B5" B4" 59.11(16) . . ? Cl15 B5" B4" 119.29(19) . . ? B10" B5" B4" 59.56(16) . . ? B11" B5" B4" 108.8(2) . . ? C1" B5" B6" 58.69(16) . . ? Cl15 B5" B6" 119.90(19) . . ? B10" B5" B6" 108.2(2) . . ? B11" B5" B6" 59.43(16) . . ? B4" B5" B6" 108.7(2) . . ? C1" B6" B11" 104.34(19) . . ? C1" B6" Cl16 121.97(19) . . ? B11" B6" Cl16 124.74(19) . . ? C1" B6" B7" 104.16(19) . . ? B11" B6" B7" 60.74(17) . . ? Cl16 B6" B7" 124.93(19) . . ? C1" B6" B2" 58.59(16) . . ? B11" B6" B2" 108.6(2) . . ? Cl16 B6" B2" 120.16(19) . . ? B7" B6" B2" 59.80(16) . . ? C1" B6" B5" 58.30(15) . . ? B11" B6" B5" 59.89(16) . . ? Cl16 B6" B5" 120.54(19) . . ? B7" B6" B5" 108.2(2) . . ? B2" B6" B5" 107.9(2) . . ? B2" B7" Cl17 121.44(18) . . ? B2" B7" B6" 60.29(17) . . ? Cl17 B7" B6" 121.95(19) . . ? B2" B7" B12" 107.9(2) . . ? Cl17 B7" B12" 121.9(2) . . ? B6" B7" B12" 107.6(2) . . ? B2" B7" B8" 59.78(16) . . ? Cl17 B7" B8" 121.52(19) . . ? B6" B7" B8" 107.9(2) . . ? B12" B7" B8" 60.15(16) . . ? B2" B7" B11" 108.0(2) . . ? Cl17 B7" B11" 121.99(19) . . ? B6" B7" B11" 59.49(16) . . ? B12" B7" B11" 60.11(16) . . ? B8" B7" B11" 108.18(19) . . ? B3" B8" B2" 60.77(16) . . ? B3" B8" B9" 59.92(16) . . ? B2" B8" B9" 108.6(2) . . ? B3" B8" B7" 108.2(2) . . ? B2" B8" B7" 59.59(16) . . ? B9" B8" B7" 108.3(2) . . ? B3" B8" B12" 107.7(2) . . ? B2" B8" B12" 107.5(2) . . ? B9" B8" B12" 59.99(16) . . ? B7" B8" B12" 59.87(16) . . ? B3" B8" Cl18 120.94(19) . . ? B2" B8" Cl18 119.76(18) . . ? B9" B8" Cl18 122.83(19) . . ? B7" B8" Cl18 121.22(18) . . ? B12" B8" Cl18 123.61(19) . . ? B3" B9" Cl19 121.52(19) . . ? B3" B9" B4" 60.68(16) . . ? Cl19 B9" B4" 121.11(19) . . ? B3" B9" B8" 59.54(16) . . ? Cl19 B9" B8" 122.01(19) . . ? B4" B9" B8" 108.2(2) . . ? B3" B9" B12" 107.5(2) . . ? Cl19 B9" B12" 122.60(19) . . ? B4" B9" B12" 107.4(2) . . ? B8" B9" B12" 60.19(16) . . ? B3" B9" B10" 107.6(2) . . ? Cl19 B9" B10" 122.09(19) . . ? B4" B9" B10" 59.23(17) . . ? B8" B9" B10" 107.9(2) . . ? B12" B9" B10" 59.82(16) . . ? B4" B10" B5" 60.58(17) . . ? B4" B10" Cl20 121.53(18) . . ? B5" B10" Cl20 122.13(19) . . ? B4" B10" B12" 108.3(2) . . ? B5" B10" B12" 107.58(19) . . ? Cl20 B10" B12" 121.46(19) . . ? B4" B10" B9" 60.13(17) . . ? B5" B10" B9" 108.2(2) . . ? Cl20 B10" B9" 121.55(19) . . ? B12" B10" B9" 59.99(17) . . ? B4" B10" B11" 108.4(2) . . ? B5" B10" B11" 59.59(16) . . ? Cl20 B10" B11" 121.62(19) . . ? B12" B10" B11" 59.92(16) . . ? B9" B10" B11" 108.02(19) . . ? B6" B11" B5" 60.69(16) . . ? B6" B11" Cl21 121.49(19) . . ? B5" B11" Cl21 122.98(19) . . ? B6" B11" B7" 59.77(16) . . ? B5" B11" B7" 108.0(2) . . ? Cl21 B11" B7" 120.66(19) . . ? B6" B11" B12" 107.6(2) . . ? B5" B11" B12" 107.2(2) . . ? Cl21 B11" B12" 121.54(19) . . ? B7" B11" B12" 59.87(16) . . ? B6" B11" B10" 108.0(2) . . ? B5" B11" B10" 59.40(16) . . ? Cl21 B11" B10" 122.82(18) . . ? B7" B11" B10" 107.6(2) . . ? B12" B11" B10" 59.61(16) . . ? Cl22 B12" B10" 121.15(18) . . ? Cl22 B12" B7" 121.75(19) . . ? B10" B12" B7" 108.4(2) . . ? Cl22 B12" B9" 121.54(19) . . ? B10" B12" B9" 60.19(17) . . ? B7" B12" B9" 108.2(2) . . ? Cl22 B12" B11" 121.18(19) . . ? B10" B12" B11" 60.46(16) . . ? B7" B12" B11" 60.02(16) . . ? B9" B12" B11" 108.6(2) . . ? Cl22 B12" B8" 122.30(19) . . ? B10" B12" B8" 107.9(2) . . ? B7" B12" B8" 59.98(16) . . ? B9" B12" B8" 59.82(16) . . ? B11" B12" B8" 108.0(2) . . ? N2' N1' C2' 113.7(2) . . ? N2' N1' C1' 110.23(19) . . ? C2' N1' C1' 111.8(2) . . ? N2' N1' H1' 103.0(19) . . ? C2' N1' H1' 108.7(19) . . ? C1' N1' H1' 108.9(19) . . ? N1' C1' H1'A 109.5 . . ? N1' C1' H1'B 109.5 . . ? H1'A C1' H1'B 109.5 . . ? N1' C1' H1'C 109.5 . . ? H1'A C1' H1'C 109.5 . . ? H1'B C1' H1'C 109.5 . . ? N1' C2' H2'A 109.5 . . ? N1' C2' H2'B 109.5 . . ? H2'A C2' H2'B 109.5 . . ? N1' C2' H2'C 109.5 . . ? H2'A C2' H2'C 109.5 . . ? H2'B C2' H2'C 109.5 . . ? N1' N2' C3' 113.1(2) . . ? N1' N2' C4' 112.4(2) . . ? C3' N2' C4' 111.4(2) . . ? N1' N2' H2' 106.5(18) . . ? C3' N2' H2' 106.2(17) . . ? C4' N2' H2' 106.6(18) . . ? N2' C3' H3'A 109.5 . . ? N2' C3' H3'B 109.5 . . ? H3'A C3' H3'B 109.5 . . ? N2' C3' H3'C 109.5 . . ? H3'A C3' H3'C 109.5 . . ? H3'B C3' H3'C 109.5 . . ? N2' C4' H4'A 109.5 . . ? N2' C4' H4'B 109.5 . . ? H4'A C4' H4'B 109.5 . . ? N2' C4' H4'C 109.5 . . ? H4'A C4' H4'C 109.5 . . ? H4'B C4' H4'C 109.5 . . ? C6S C1S C2S 120.2(2) . . ? C6S C1S Cl1S 118.8(2) . . ? C2S C1S Cl1S 120.9(2) . . ? C1S C2S C3S 120.0(2) . . ? C1S C2S Cl2S 121.4(2) . . ? C3S C2S Cl2S 118.6(2) . . ? C4S C3S C2S 119.6(3) . . ? C4S C3S H3SA 120.2 . . ? C2S C3S H3SA 120.2 . . ? C3S C4S C5S 120.5(3) . . ? C3S C4S H4SA 119.8 . . ? C5S C4S H4SA 119.8 . . ? C6S C5S C4S 119.8(3) . . ? C6S C5S H5SA 120.1 . . ? C4S C5S H5SA 120.1 . . ? C1S C6S C5S 119.9(3) . . ? C1S C6S H6SA 120.0 . . ? C5S C6S H6SA 120.0 . . ? 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 B4 C1 B2 Cl1 144.4(2) . . . . ? B5 C1 B2 Cl1 -144.4(2) . . . . ? B3 C1 B2 Cl1 108.2(2) . . . . ? B6 C1 B2 Cl1 -108.4(2) . . . . ? B4 C1 B2 B7 -67.2(2) . . . . ? B5 C1 B2 B7 4.0(3) . . . . ? B3 C1 B2 B7 -103.4(2) . . . . ? B6 C1 B2 B7 40.07(18) . . . . ? B4 C1 B2 B8 -4.8(3) . . . . ? B5 C1 B2 B8 66.4(2) . . . . ? B3 C1 B2 B8 -41.05(18) . . . . ? B6 C1 B2 B8 102.4(2) . . . . ? B4 C1 B2 B3 36.2(2) . . . . ? B5 C1 B2 B3 107.4(2) . . . . ? B6 C1 B2 B3 143.5(2) . . . . ? B4 C1 B2 B6 -107.2(2) . . . . ? B5 C1 B2 B6 -36.1(2) . . . . ? B3 C1 B2 B6 -143.5(2) . . . . ? B4 C1 B3 Cl2 108.6(2) . . . . ? B5 C1 B3 Cl2 145.1(2) . . . . ? B6 C1 B3 Cl2 -144.0(2) . . . . ? B2 C1 B3 Cl2 -108.0(2) . . . . ? B4 C1 B3 B9 -40.46(18) . . . . ? B5 C1 B3 B9 -3.9(3) . . . . ? B6 C1 B3 B9 66.9(2) . . . . ? B2 C1 B3 B9 102.9(2) . . . . ? B4 C1 B3 B8 -102.3(2) . . . . ? B5 C1 B3 B8 -65.8(3) . . . . ? B6 C1 B3 B8 5.1(3) . . . . ? B2 C1 B3 B8 41.04(18) . . . . ? B4 C1 B3 B2 -143.4(2) . . . . ? B5 C1 B3 B2 -106.8(2) . . . . ? B6 C1 B3 B2 -36.0(2) . . . . ? B5 C1 B3 B4 36.5(2) . . . . ? B6 C1 B3 B4 107.4(2) . . . . ? B2 C1 B3 B4 143.4(2) . . . . ? Cl1 B2 B3 C1 -112.4(2) . . . . ? B7 B2 B3 C1 95.1(2) . . . . ? B8 B2 B3 C1 132.6(2) . . . . ? B6 B2 B3 C1 32.25(18) . . . . ? C1 B2 B3 Cl2 111.9(2) . . . . ? Cl1 B2 B3 Cl2 -0.6(3) . . . . ? B7 B2 B3 Cl2 -153.05(18) . . . . ? B8 B2 B3 Cl2 -115.6(2) . . . . ? B6 B2 B3 Cl2 144.12(19) . . . . ? C1 B2 B3 B9 -94.9(2) . . . . ? Cl1 B2 B3 B9 152.61(18) . . . . ? B7 B2 B3 B9 0.1(3) . . . . ? B8 B2 B3 B9 37.62(18) . . . . ? B6 B2 B3 B9 -62.7(2) . . . . ? C1 B2 B3 B8 -132.6(2) . . . . ? Cl1 B2 B3 B8 115.0(2) . . . . ? B7 B2 B3 B8 -37.48(18) . . . . ? B6 B2 B3 B8 -100.3(2) . . . . ? C1 B2 B3 B4 -32.19(18) . . . . ? Cl1 B2 B3 B4 -144.63(19) . . . . ? B7 B2 B3 B4 62.9(2) . . . . ? B8 B2 B3 B4 100.4(2) . . . . ? B6 B2 B3 B4 0.1(3) . . . . ? B5 C1 B4 Cl3 109.6(2) . . . . ? B3 C1 B4 Cl3 -107.2(2) . . . . ? B6 C1 B4 Cl3 145.9(2) . . . . ? B2 C1 B4 Cl3 -143.2(2) . . . . ? B5 C1 B4 B9 -102.6(2) . . . . ? B3 C1 B4 B9 40.66(18) . . . . ? B6 C1 B4 B9 -66.2(2) . . . . ? B2 C1 B4 B9 4.7(3) . . . . ? B5 C1 B4 B10 -39.92(18) . . . . ? B3 C1 B4 B10 103.3(2) . . . . ? B6 C1 B4 B10 -3.6(3) . . . . ? B2 C1 B4 B10 67.3(2) . . . . ? B3 C1 B4 B5 143.2(2) . . . . ? B6 C1 B4 B5 36.4(2) . . . . ? B2 C1 B4 B5 107.3(2) . . . . ? B5 C1 B4 B3 -143.2(2) . . . . ? B6 C1 B4 B3 -106.9(2) . . . . ? B2 C1 B4 B3 -36.0(2) . . . . ? Cl2 B3 B4 C1 -111.3(2) . . . . ? B9 B3 B4 C1 132.8(2) . . . . ? B8 B3 B4 C1 95.7(2) . . . . ? B2 B3 B4 C1 32.48(18) . . . . ? C1 B3 B4 Cl3 113.3(2) . . . . ? Cl2 B3 B4 Cl3 2.0(3) . . . . ? B9 B3 B4 Cl3 -114.0(2) . . . . ? B8 B3 B4 Cl3 -151.01(19) . . . . ? B2 B3 B4 Cl3 145.73(19) . . . . ? C1 B3 B4 B9 -132.8(2) . . . . ? Cl2 B3 B4 B9 116.0(2) . . . . ? B8 B3 B4 B9 -37.04(18) . . . . ? B2 B3 B4 B9 -100.3(2) . . . . ? C1 B3 B4 B10 -95.9(2) . . . . ? Cl2 B3 B4 B10 152.86(18) . . . . ? B9 B3 B4 B10 36.91(18) . . . . ? B8 B3 B4 B10 -0.1(3) . . . . ? B2 B3 B4 B10 -63.4(2) . . . . ? C1 B3 B4 B5 -32.48(18) . . . . ? Cl2 B3 B4 B5 -143.75(19) . . . . ? B9 B3 B4 B5 100.3(2) . . . . ? B8 B3 B4 B5 63.3(2) . . . . ? B2 B3 B4 B5 0.0(3) . . . . ? B4 C1 B5 Cl4 -110.0(2) . . . . ? B3 C1 B5 Cl4 -146.6(2) . . . . ? B6 C1 B5 Cl4 106.8(2) . . . . ? B2 C1 B5 Cl4 142.9(2) . . . . ? B4 C1 B5 B11 102.5(2) . . . . ? B3 C1 B5 B11 66.0(3) . . . . ? B6 C1 B5 B11 -40.64(18) . . . . ? B2 C1 B5 B11 -4.5(3) . . . . ? B4 C1 B5 B10 39.80(19) . . . . ? B3 C1 B5 B10 3.2(3) . . . . ? B6 C1 B5 B10 -103.4(2) . . . . ? B2 C1 B5 B10 -67.3(2) . . . . ? B4 C1 B5 B6 143.2(2) . . . . ? B3 C1 B5 B6 106.6(2) . . . . ? B2 C1 B5 B6 36.1(2) . . . . ? B3 C1 B5 B4 -36.6(2) . . . . ? B6 C1 B5 B4 -143.2(2) . . . . ? B2 C1 B5 B4 -107.1(2) . . . . ? Cl3 B4 B5 C1 -112.5(2) . . . . ? B9 B4 B5 C1 95.5(2) . . . . ? B10 B4 B5 C1 134.0(2) . . . . ? B3 B4 B5 C1 32.49(18) . . . . ? C1 B4 B5 Cl4 109.6(2) . . . . ? Cl3 B4 B5 Cl4 -2.9(3) . . . . ? B9 B4 B5 Cl4 -154.94(19) . . . . ? B10 B4 B5 Cl4 -116.4(2) . . . . ? B3 B4 B5 Cl4 142.09(19) . . . . ? C1 B4 B5 B11 -95.6(2) . . . . ? Cl3 B4 B5 B11 151.88(19) . . . . ? B9 B4 B5 B11 -0.2(3) . . . . ? B10 B4 B5 B11 38.41(19) . . . . ? B3 B4 B5 B11 -63.2(2) . . . . ? C1 B4 B5 B10 -134.0(2) . . . . ? Cl3 B4 B5 B10 113.5(2) . . . . ? B9 B4 B5 B10 -38.58(18) . . . . ? B3 B4 B5 B10 -101.6(2) . . . . ? C1 B4 B5 B6 -32.54(18) . . . . ? Cl3 B4 B5 B6 -145.02(19) . . . . ? B9 B4 B5 B6 62.9(2) . . . . ? B10 B4 B5 B6 101.5(2) . . . . ? B3 B4 B5 B6 -0.1(3) . . . . ? B4 C1 B6 Cl5 -145.03(19) . . . . ? B5 C1 B6 Cl5 -108.6(2) . . . . ? B3 C1 B6 Cl5 143.78(19) . . . . ? B2 C1 B6 Cl5 108.0(2) . . . . ? B4 C1 B6 B7 66.6(2) . . . . ? B5 C1 B6 B7 103.1(2) . . . . ? B3 C1 B6 B7 -4.6(3) . . . . ? B2 C1 B6 B7 -40.34(18) . . . . ? B4 C1 B6 B11 3.9(3) . . . . ? B5 C1 B6 B11 40.38(18) . . . . ? B3 C1 B6 B11 -67.3(2) . . . . ? B2 C1 B6 B11 -103.1(2) . . . . ? B4 C1 B6 B5 -36.5(2) . . . . ? B3 C1 B6 B5 -107.7(2) . . . . ? B2 C1 B6 B5 -143.4(2) . . . . ? B4 C1 B6 B2 107.0(2) . . . . ? B5 C1 B6 B2 143.4(2) . . . . ? B3 C1 B6 B2 35.8(2) . . . . ? Cl4 B5 B6 C1 -111.0(2) . . . . ? B11 B5 B6 C1 133.0(2) . . . . ? B10 B5 B6 C1 95.6(2) . . . . ? B4 B5 B6 C1 32.36(18) . . . . ? C1 B5 B6 Cl5 111.2(2) . . . . ? Cl4 B5 B6 Cl5 0.2(3) . . . . ? B11 B5 B6 Cl5 -115.8(2) . . . . ? B10 B5 B6 Cl5 -153.22(19) . . . . ? B4 B5 B6 Cl5 143.57(19) . . . . ? C1 B5 B6 B7 -95.5(2) . . . . ? Cl4 B5 B6 B7 153.55(19) . . . . ? B11 B5 B6 B7 37.49(19) . . . . ? B10 B5 B6 B7 0.1(3) . . . . ? B4 B5 B6 B7 -63.1(2) . . . . ? C1 B5 B6 B11 -133.0(2) . . . . ? Cl4 B5 B6 B11 116.1(2) . . . . ? B10 B5 B6 B11 -37.40(19) . . . . ? B4 B5 B6 B11 -100.6(2) . . . . ? C1 B5 B6 B2 -32.26(18) . . . . ? Cl4 B5 B6 B2 -143.23(19) . . . . ? B11 B5 B6 B2 100.7(2) . . . . ? B10 B5 B6 B2 63.3(2) . . . . ? B4 B5 B6 B2 0.1(3) . . . . ? Cl1 B2 B6 C1 112.3(2) . . . . ? B7 B2 B6 C1 -133.4(2) . . . . ? B8 B2 B6 C1 -95.7(2) . . . . ? B3 B2 B6 C1 -32.30(18) . . . . ? C1 B2 B6 Cl5 -111.5(2) . . . . ? Cl1 B2 B6 Cl5 0.8(3) . . . . ? B7 B2 B6 Cl5 115.2(2) . . . . ? B8 B2 B6 Cl5 152.83(19) . . . . ? B3 B2 B6 Cl5 -143.79(19) . . . . ? C1 B2 B6 B7 133.4(2) . . . . ? Cl1 B2 B6 B7 -114.3(2) . . . . ? B8 B2 B6 B7 37.68(19) . . . . ? B3 B2 B6 B7 101.1(2) . . . . ? C1 B2 B6 B11 95.0(2) . . . . ? Cl1 B2 B6 B11 -152.66(19) . . . . ? B7 B2 B6 B11 -38.33(19) . . . . ? B8 B2 B6 B11 -0.6(3) . . . . ? B3 B2 B6 B11 62.7(2) . . . . ? C1 B2 B6 B5 32.21(18) . . . . ? Cl1 B2 B6 B5 144.51(19) . . . . ? B7 B2 B6 B5 -101.2(2) . . . . ? B8 B2 B6 B5 -63.5(2) . . . . ? B3 B2 B6 B5 -0.1(3) . . . . ? C1 B6 B7 Cl6 149.92(19) . . . . ? Cl5 B6 B7 Cl6 2.7(3) . . . . ? B11 B6 B7 Cl6 -112.3(2) . . . . ? B5 B6 B7 Cl6 -149.23(19) . . . . ? B2 B6 B7 Cl6 110.2(2) . . . . ? C1 B6 B7 B2 39.71(18) . . . . ? Cl5 B6 B7 B2 -107.5(2) . . . . ? B11 B6 B7 B2 137.5(2) . . . . ? B5 B6 B7 B2 100.6(2) . . . . ? C1 B6 B7 B12 -60.9(2) . . . . ? Cl5 B6 B7 B12 151.8(2) . . . . ? B11 B6 B7 B12 36.83(19) . . . . ? B5 B6 B7 B12 -0.1(3) . . . . ? B2 B6 B7 B12 -100.6(2) . . . . ? C1 B6 B7 B8 2.0(2) . . . . ? Cl5 B6 B7 B8 -145.2(2) . . . . ? B11 B6 B7 B8 99.8(2) . . . . ? B5 B6 B7 B8 62.9(2) . . . . ? B2 B6 B7 B8 -37.69(18) . . . . ? C1 B6 B7 B11 -97.8(2) . . . . ? Cl5 B6 B7 B11 115.0(2) . . . . ? B5 B6 B7 B11 -36.91(19) . . . . ? B2 B6 B7 B11 -137.5(2) . . . . ? C1 B2 B7 B6 -39.61(17) . . . . ? Cl1 B2 B7 B6 108.3(2) . . . . ? B8 B2 B7 B6 -137.9(2) . . . . ? B3 B2 B7 B6 -100.6(2) . . . . ? C1 B2 B7 Cl6 -150.29(18) . . . . ? Cl1 B2 B7 Cl6 -2.4(3) . . . . ? B8 B2 B7 Cl6 111.4(2) . . . . ? B3 B2 B7 Cl6 148.71(18) . . . . ? B6 B2 B7 Cl6 -110.7(2) . . . . ? C1 B2 B7 B12 60.7(2) . . . . ? Cl1 B2 B7 B12 -151.40(19) . . . . ? B8 B2 B7 B12 -37.57(18) . . . . ? B3 B2 B7 B12 -0.3(3) . . . . ? B6 B2 B7 B12 100.3(2) . . . . ? C1 B2 B7 B8 98.3(2) . . . . ? Cl1 B2 B7 B8 -113.8(2) . . . . ? B3 B2 B7 B8 37.32(18) . . . . ? B6 B2 B7 B8 137.9(2) . . . . ? C1 B2 B7 B11 -1.7(2) . . . . ? Cl1 B2 B7 B11 146.15(19) . . . . ? B8 B2 B7 B11 -100.0(2) . . . . ? B3 B2 B7 B11 -62.7(2) . . . . ? B6 B2 B7 B11 37.90(18) . . . . ? C1 B2 B8 B12 -60.2(2) . . . . ? Cl1 B2 B8 B12 151.2(2) . . . . ? B7 B2 B8 B12 37.82(19) . . . . ? B3 B2 B8 B12 -100.6(2) . . . . ? B6 B2 B8 B12 0.6(3) . . . . ? C1 B2 B8 B9 2.8(2) . . . . ? Cl1 B2 B8 B9 -145.8(2) . . . . ? B7 B2 B8 B9 100.8(2) . . . . ? B3 B2 B8 B9 -37.55(19) . . . . ? B6 B2 B8 B9 63.6(2) . . . . ? C1 B2 B8 Cl7 152.35(19) . . . . ? Cl1 B2 B8 Cl7 3.8(3) . . . . ? B7 B2 B8 Cl7 -109.6(2) . . . . ? B3 B2 B8 Cl7 112.0(2) . . . . ? B6 B2 B8 Cl7 -146.8(2) . . . . ? C1 B2 B8 B3 40.32(18) . . . . ? Cl1 B2 B8 B3 -108.2(2) . . . . ? B7 B2 B8 B3 138.4(2) . . . . ? B6 B2 B8 B3 101.1(2) . . . . ? C1 B2 B8 B7 -98.0(2) . . . . ? Cl1 B2 B8 B7 113.4(2) . . . . ? B3 B2 B8 B7 -138.4(2) . . . . ? B6 B2 B8 B7 -37.22(18) . . . . ? C1 B3 B8 B12 60.0(2) . . . . ? Cl2 B3 B8 B12 -152.03(19) . . . . ? B9 B3 B8 B12 -37.29(18) . . . . ? B2 B3 B8 B12 100.5(2) . . . . ? B4 B3 B8 B12 -0.5(3) . . . . ? C1 B3 B8 B9 97.3(2) . . . . ? Cl2 B3 B8 B9 -114.7(2) . . . . ? B2 B3 B8 B9 137.8(2) . . . . ? B4 B3 B8 B9 36.80(18) . . . . ? C1 B3 B8 Cl7 -151.57(19) . . . . ? Cl2 B3 B8 Cl7 -3.6(3) . . . . ? B9 B3 B8 Cl7 111.1(2) . . . . ? B2 B3 B8 Cl7 -111.1(2) . . . . ? B4 B3 B8 Cl7 147.94(19) . . . . ? C1 B3 B8 B2 -40.49(17) . . . . ? Cl2 B3 B8 B2 107.5(2) . . . . ? B9 B3 B8 B2 -137.8(2) . . . . ? B4 B3 B8 B2 -101.0(2) . . . . ? C1 B3 B8 B7 -3.4(2) . . . . ? Cl2 B3 B8 B7 144.6(2) . . . . ? B9 B3 B8 B7 -100.7(2) . . . . ? B2 B3 B8 B7 37.10(18) . . . . ? B4 B3 B8 B7 -63.9(2) . . . . ? B6 B7 B8 B12 -99.4(2) . . . . ? Cl6 B7 B8 B12 113.0(2) . . . . ? B2 B7 B8 B12 -137.6(2) . . . . ? B11 B7 B8 B12 -36.31(18) . . . . ? B6 B7 B8 B9 -62.3(2) . . . . ? Cl6 B7 B8 B9 150.15(19) . . . . ? B2 B7 B8 B9 -100.4(2) . . . . ? B12 B7 B8 B9 37.11(18) . . . . ? B11 B7 B8 B9 0.8(3) . . . . ? B6 B7 B8 Cl7 149.73(19) . . . . ? Cl6 B7 B8 Cl7 2.2(3) . . . . ? B2 B7 B8 Cl7 111.6(2) . . . . ? B12 B7 B8 Cl7 -110.8(2) . . . . ? B11 B7 B8 Cl7 -147.15(19) . . . . ? B6 B7 B8 B2 38.14(19) . . . . ? Cl6 B7 B8 B2 -109.4(2) . . . . ? B12 B7 B8 B2 137.6(2) . . . . ? B11 B7 B8 B2 101.3(2) . . . . ? B6 B7 B8 B3 0.9(3) . . . . ? Cl6 B7 B8 B3 -146.67(19) . . . . ? B2 B7 B8 B3 -37.26(18) . . . . ? B12 B7 B8 B3 100.3(2) . . . . ? B11 B7 B8 B3 64.0(2) . . . . ? C1 B4 B9 B12 61.2(2) . . . . ? Cl3 B4 B9 B12 -151.04(19) . . . . ? B10 B4 B9 B12 -37.92(19) . . . . ? B5 B4 B9 B12 0.3(3) . . . . ? B3 B4 B9 B12 101.3(2) . . . . ? C1 B4 B9 B3 -40.10(18) . . . . ? Cl3 B4 B9 B3 107.7(2) . . . . ? B10 B4 B9 B3 -139.2(2) . . . . ? B5 B4 B9 B3 -101.0(2) . . . . ? C1 B4 B9 B8 -2.6(3) . . . . ? Cl3 B4 B9 B8 145.2(2) . . . . ? B10 B4 B9 B8 -101.7(2) . . . . ? B5 B4 B9 B8 -63.4(2) . . . . ? B3 B4 B9 B8 37.53(19) . . . . ? C1 B4 B9 B10 99.1(2) . . . . ? Cl3 B4 B9 B10 -113.1(2) . . . . ? B5 B4 B9 B10 38.25(18) . . . . ? B3 B4 B9 B10 139.2(2) . . . . ? C1 B4 B9 Cl8 -152.25(18) . . . . ? Cl3 B4 B9 Cl8 -4.5(3) . . . . ? B10 B4 B9 Cl8 108.6(2) . . . . ? B5 B4 B9 Cl8 146.88(18) . . . . ? B3 B4 B9 Cl8 -112.1(2) . . . . ? C1 B3 B9 B12 -61.1(2) . . . . ? Cl2 B3 B9 B12 151.3(2) . . . . ? B8 B3 B9 B12 37.63(18) . . . . ? B2 B3 B9 B12 0.0(3) . . . . ? B4 B3 B9 B12 -100.8(2) . . . . ? C1 B3 B9 B4 39.78(18) . . . . ? Cl2 B3 B9 B4 -107.9(2) . . . . ? B8 B3 B9 B4 138.5(2) . . . . ? B2 B3 B9 B4 100.9(2) . . . . ? C1 B3 B9 B8 -98.7(2) . . . . ? Cl2 B3 B9 B8 113.7(2) . . . . ? B2 B3 B9 B8 -37.59(18) . . . . ? B4 B3 B9 B8 -138.5(2) . . . . ? C1 B3 B9 B10 2.9(3) . . . . ? Cl2 B3 B9 B10 -144.7(2) . . . . ? B8 B3 B9 B10 101.6(2) . . . . ? B2 B3 B9 B10 64.0(2) . . . . ? B4 B3 B9 B10 -36.84(19) . . . . ? C1 B3 B9 Cl8 149.87(19) . . . . ? Cl2 B3 B9 Cl8 2.2(3) . . . . ? B8 B3 B9 Cl8 -111.4(2) . . . . ? B2 B3 B9 Cl8 -149.04(19) . . . . ? B4 B3 B9 Cl8 110.1(2) . . . . ? Cl7 B8 B9 B12 110.2(2) . . . . ? B2 B8 B9 B12 -100.3(2) . . . . ? B3 B8 B9 B12 -138.0(2) . . . . ? B7 B8 B9 B12 -37.25(18) . . . . ? B12 B8 B9 B4 100.2(2) . . . . ? Cl7 B8 B9 B4 -149.65(19) . . . . ? B2 B8 B9 B4 -0.1(3) . . . . ? B3 B8 B9 B4 -37.83(19) . . . . ? B7 B8 B9 B4 62.9(2) . . . . ? B12 B8 B9 B3 138.0(2) . . . . ? Cl7 B8 B9 B3 -111.8(2) . . . . ? B2 B8 B9 B3 37.69(18) . . . . ? B7 B8 B9 B3 100.8(2) . . . . ? B12 B8 B9 B10 36.24(18) . . . . ? Cl7 B8 B9 B10 146.40(19) . . . . ? B2 B8 B9 B10 -64.1(2) . . . . ? B3 B8 B9 B10 -101.8(2) . . . . ? B7 B8 B9 B10 -1.0(3) . . . . ? B12 B8 B9 Cl8 -110.6(2) . . . . ? Cl7 B8 B9 Cl8 -0.5(3) . . . . ? B2 B8 B9 Cl8 149.05(19) . . . . ? B3 B8 B9 Cl8 111.4(2) . . . . ? B7 B8 B9 Cl8 -147.88(19) . . . . ? C1 B4 B10 Cl9 151.72(18) . . . . ? Cl3 B4 B10 Cl9 2.4(3) . . . . ? B9 B4 B10 Cl9 -110.6(2) . . . . ? B5 B4 B10 Cl9 112.5(2) . . . . ? B3 B4 B10 Cl9 -147.09(18) . . . . ? C1 B4 B10 B5 39.27(18) . . . . ? Cl3 B4 B10 B5 -110.1(2) . . . . ? B9 B4 B10 B5 137.0(2) . . . . ? B3 B4 B10 B5 100.5(2) . . . . ? C1 B4 B10 B12 -60.5(2) . . . . ? Cl3 B4 B10 B12 150.16(19) . . . . ? B9 B4 B10 B12 37.20(18) . . . . ? B5 B4 B10 B12 -99.8(2) . . . . ? B3 B4 B10 B12 0.7(2) . . . . ? C1 B4 B10 B9 -97.7(2) . . . . ? Cl3 B4 B10 B9 113.0(2) . . . . ? B5 B4 B10 B9 -137.0(2) . . . . ? B3 B4 B10 B9 -36.51(18) . . . . ? C1 B4 B10 B11 1.6(2) . . . . ? Cl3 B4 B10 B11 -147.73(19) . . . . ? B9 B4 B10 B11 99.3(2) . . . . ? B5 B4 B10 B11 -37.65(18) . . . . ? B3 B4 B10 B11 62.8(2) . . . . ? C1 B5 B10 Cl9 -150.25(19) . . . . ? Cl4 B5 B10 Cl9 -2.5(4) . . . . ? B11 B5 B10 Cl9 111.5(2) . . . . ? B6 B5 B10 Cl9 148.53(19) . . . . ? B4 B5 B10 Cl9 -111.2(2) . . . . ? C1 B5 B10 B4 -39.03(18) . . . . ? Cl4 B5 B10 B4 108.8(2) . . . . ? B11 B5 B10 B4 -137.3(2) . . . . ? B6 B5 B10 B4 -100.3(2) . . . . ? C1 B5 B10 B12 61.2(2) . . . . ? Cl4 B5 B10 B12 -151.0(2) . . . . ? B11 B5 B10 B12 -37.06(18) . . . . ? B6 B5 B10 B12 0.0(3) . . . . ? B4 B5 B10 B12 100.2(2) . . . . ? C1 B5 B10 B9 -1.1(3) . . . . ? Cl4 B5 B10 B9 146.7(2) . . . . ? B11 B5 B10 B9 -99.3(2) . . . . ? B6 B5 B10 B9 -62.3(2) . . . . ? B4 B5 B10 B9 37.96(18) . . . . ? C1 B5 B10 B11 98.2(2) . . . . ? Cl4 B5 B10 B11 -114.0(3) . . . . ? B6 B5 B10 B11 37.01(19) . . . . ? B4 B5 B10 B11 137.3(2) . . . . ? B12 B9 B10 Cl9 -111.2(2) . . . . ? B4 B9 B10 Cl9 111.2(2) . . . . ? B3 B9 B10 Cl9 148.40(19) . . . . ? B8 B9 B10 Cl9 -147.37(19) . . . . ? Cl8 B9 B10 Cl9 0.5(3) . . . . ? B12 B9 B10 B4 137.7(2) . . . . ? B3 B9 B10 B4 37.23(19) . . . . ? B8 B9 B10 B4 101.5(2) . . . . ? Cl8 B9 B10 B4 -110.7(2) . . . . ? B12 B9 B10 B5 99.2(2) . . . . ? B4 B9 B10 B5 -38.44(19) . . . . ? B3 B9 B10 B5 -1.2(3) . . . . ? B8 B9 B10 B5 63.0(2) . . . . ? Cl8 B9 B10 B5 -149.11(19) . . . . ? B4 B9 B10 B12 -137.7(2) . . . . ? B3 B9 B10 B12 -100.4(2) . . . . ? B8 B9 B10 B12 -36.19(18) . . . . ? Cl8 B9 B10 B12 111.7(2) . . . . ? B12 B9 B10 B11 37.01(18) . . . . ? B4 B9 B10 B11 -100.7(2) . . . . ? B3 B9 B10 B11 -63.4(2) . . . . ? B8 B9 B10 B11 0.8(3) . . . . ? Cl8 B9 B10 B11 148.68(18) . . . . ? C1 B5 B11 B12 -60.6(2) . . . . ? Cl4 B5 B11 B12 153.6(2) . . . . ? B10 B5 B11 B12 37.94(18) . . . . ? B6 B5 B11 B12 -100.7(2) . . . . ? B4 B5 B11 B12 0.0(3) . . . . ? C1 B5 B11 B6 40.08(17) . . . . ? Cl4 B5 B11 B6 -105.7(2) . . . . ? B10 B5 B11 B6 138.7(2) . . . . ? B4 B5 B11 B6 100.7(2) . . . . ? C1 B5 B11 Cl10 151.80(19) . . . . ? Cl4 B5 B11 Cl10 6.0(3) . . . . ? B10 B5 B11 Cl10 -109.6(2) . . . . ? B6 B5 B11 Cl10 111.7(2) . . . . ? B4 B5 B11 Cl10 -147.61(19) . . . . ? C1 B5 B11 B7 3.1(2) . . . . ? Cl4 B5 B11 B7 -142.7(2) . . . . ? B10 B5 B11 B7 101.7(2) . . . . ? B6 B5 B11 B7 -36.99(18) . . . . ? B4 B5 B11 B7 63.7(2) . . . . ? C1 B5 B11 B10 -98.6(2) . . . . ? Cl4 B5 B11 B10 115.6(2) . . . . ? B6 B5 B11 B10 -138.7(2) . . . . ? B4 B5 B11 B10 -37.98(18) . . . . ? C1 B6 B11 B12 61.3(2) . . . . ? Cl5 B6 B11 B12 -151.2(2) . . . . ? B7 B6 B11 B12 -37.43(19) . . . . ? B5 B6 B11 B12 101.1(2) . . . . ? B2 B6 B11 B12 0.4(3) . . . . ? C1 B6 B11 B5 -39.82(17) . . . . ? Cl5 B6 B11 B5 107.7(2) . . . . ? B7 B6 B11 B5 -138.5(2) . . . . ? B2 B6 B11 B5 -100.7(2) . . . . ? C1 B6 B11 Cl10 -151.88(19) . . . . ? Cl5 B6 B11 Cl10 -4.4(3) . . . . ? B7 B6 B11 Cl10 109.4(2) . . . . ? B5 B6 B11 Cl10 -112.1(2) . . . . ? B2 B6 B11 Cl10 147.28(19) . . . . ? C1 B6 B11 B7 98.7(2) . . . . ? Cl5 B6 B11 B7 -113.8(2) . . . . ? B5 B6 B11 B7 138.5(2) . . . . ? B2 B6 B11 B7 37.88(19) . . . . ? C1 B6 B11 B10 -2.6(2) . . . . ? Cl5 B6 B11 B10 145.0(2) . . . . ? B7 B6 B11 B10 -101.3(2) . . . . ? B5 B6 B11 B10 37.26(18) . . . . ? B2 B6 B11 B10 -63.4(2) . . . . ? B6 B7 B11 B12 138.2(2) . . . . ? Cl6 B7 B11 B12 -112.5(2) . . . . ? B2 B7 B11 B12 99.7(2) . . . . ? B8 B7 B11 B12 36.51(19) . . . . ? B6 B7 B11 B5 37.55(19) . . . . ? Cl6 B7 B11 B5 146.89(19) . . . . ? B2 B7 B11 B5 -0.9(3) . . . . ? B12 B7 B11 B5 -100.6(2) . . . . ? B8 B7 B11 B5 -64.1(2) . . . . ? Cl6 B7 B11 B6 109.3(2) . . . . ? B2 B7 B11 B6 -38.43(19) . . . . ? B12 B7 B11 B6 -138.2(2) . . . . ? B8 B7 B11 B6 -101.7(2) . . . . ? B6 B7 B11 Cl10 -111.8(2) . . . . ? Cl6 B7 B11 Cl10 -2.4(3) . . . . ? B2 B7 B11 Cl10 -150.20(19) . . . . ? B12 B7 B11 Cl10 110.1(2) . . . . ? B8 B7 B11 Cl10 146.57(19) . . . . ? B6 B7 B11 B10 101.4(2) . . . . ? Cl6 B7 B11 B10 -149.31(19) . . . . ? B2 B7 B11 B10 62.9(2) . . . . ? B12 B7 B11 B10 -36.81(19) . . . . ? B8 B7 B11 B10 -0.3(3) . . . . ? Cl9 B10 B11 B12 110.7(2) . . . . ? B4 B10 B11 B12 -99.5(2) . . . . ? B5 B10 B11 B12 -137.7(2) . . . . ? B9 B10 B11 B12 -37.09(18) . . . . ? Cl9 B10 B11 B5 -111.7(2) . . . . ? B4 B10 B11 B5 38.19(18) . . . . ? B12 B10 B11 B5 137.7(2) . . . . ? B9 B10 B11 B5 100.6(2) . . . . ? Cl9 B10 B11 B6 -149.23(18) . . . . ? B4 B10 B11 B6 0.6(3) . . . . ? B5 B10 B11 B6 -37.57(19) . . . . ? B12 B10 B11 B6 100.1(2) . . . . ? B9 B10 B11 B6 63.0(2) . . . . ? Cl9 B10 B11 Cl10 0.6(3) . . . . ? B4 B10 B11 Cl10 150.45(18) . . . . ? B5 B10 B11 Cl10 112.3(2) . . . . ? B12 B10 B11 Cl10 -110.1(2) . . . . ? B9 B10 B11 Cl10 -147.17(18) . . . . ? Cl9 B10 B11 B7 147.46(19) . . . . ? B4 B10 B11 B7 -62.7(2) . . . . ? B5 B10 B11 B7 -100.9(2) . . . . ? B12 B10 B11 B7 36.78(19) . . . . ? B9 B10 B11 B7 -0.3(3) . . . . ? B5 B11 B12 B9 0.3(3) . . . . ? B6 B11 B12 B9 -64.0(2) . . . . ? Cl10 B11 B12 B9 148.52(19) . . . . ? B7 B11 B12 B9 -101.1(2) . . . . ? B10 B11 B12 B9 38.11(18) . . . . ? B5 B11 B12 B8 64.2(2) . . . . ? B6 B11 B12 B8 -0.1(3) . . . . ? Cl10 B11 B12 B8 -147.55(19) . . . . ? B7 B11 B12 B8 -37.21(19) . . . . ? B10 B11 B12 B8 102.0(2) . . . . ? B5 B11 B12 B7 101.4(2) . . . . ? B6 B11 B12 B7 37.13(19) . . . . ? Cl10 B11 B12 B7 -110.3(2) . . . . ? B10 B11 B12 B7 139.2(2) . . . . ? B5 B11 B12 Cl11 -146.78(19) . . . . ? B6 B11 B12 Cl11 148.96(19) . . . . ? Cl10 B11 B12 Cl11 1.5(3) . . . . ? B7 B11 B12 Cl11 111.8(2) . . . . ? B10 B11 B12 Cl11 -108.9(2) . . . . ? B5 B11 B12 B10 -37.86(18) . . . . ? B6 B11 B12 B10 -102.1(2) . . . . ? Cl10 B11 B12 B10 110.4(2) . . . . ? B7 B11 B12 B10 -139.2(2) . . . . ? B4 B9 B12 B11 -0.4(3) . . . . ? B3 B9 B12 B11 64.1(2) . . . . ? B8 B9 B12 B11 101.8(2) . . . . ? B10 B9 B12 B11 -38.18(18) . . . . ? Cl8 B9 B12 B11 -146.61(19) . . . . ? B4 B9 B12 B8 -102.2(2) . . . . ? B3 B9 B12 B8 -37.68(18) . . . . ? B10 B9 B12 B8 -140.0(2) . . . . ? Cl8 B9 B12 B8 111.6(2) . . . . ? B4 B9 B12 B7 -64.7(2) . . . . ? B3 B9 B12 B7 -0.2(3) . . . . ? B8 B9 B12 B7 37.49(18) . . . . ? B10 B9 B12 B7 -102.5(2) . . . . ? Cl8 B9 B12 B7 149.08(18) . . . . ? B4 B9 B12 Cl11 146.99(19) . . . . ? B3 B9 B12 Cl11 -148.53(18) . . . . ? B8 B9 B12 Cl11 -110.8(2) . . . . ? B10 B9 B12 Cl11 109.2(2) . . . . ? Cl8 B9 B12 Cl11 0.7(3) . . . . ? B4 B9 B12 B10 37.82(18) . . . . ? B3 B9 B12 B10 102.3(2) . . . . ? B8 B9 B12 B10 140.0(2) . . . . ? Cl8 B9 B12 B10 -108.4(2) . . . . ? B9 B8 B12 B11 -101.0(2) . . . . ? Cl7 B8 B12 B11 147.39(19) . . . . ? B2 B8 B12 B11 -0.3(3) . . . . ? B3 B8 B12 B11 -63.7(2) . . . . ? B7 B8 B12 B11 37.35(19) . . . . ? Cl7 B8 B12 B9 -111.6(2) . . . . ? B2 B8 B12 B9 100.7(2) . . . . ? B3 B8 B12 B9 37.31(18) . . . . ? B7 B8 B12 B9 138.3(2) . . . . ? B9 B8 B12 B7 -138.3(2) . . . . ? Cl7 B8 B12 B7 110.0(2) . . . . ? B2 B8 B12 B7 -37.67(19) . . . . ? B3 B8 B12 B7 -101.0(2) . . . . ? B9 B8 B12 Cl11 109.9(2) . . . . ? Cl7 B8 B12 Cl11 -1.7(3) . . . . ? B2 B8 B12 Cl11 -149.45(19) . . . . ? B3 B8 B12 Cl11 147.19(19) . . . . ? B7 B8 B12 Cl11 -111.8(2) . . . . ? B9 B8 B12 B10 -36.38(18) . . . . ? Cl7 B8 B12 B10 -147.99(19) . . . . ? B2 B8 B12 B10 64.3(2) . . . . ? B3 B8 B12 B10 0.9(3) . . . . ? B7 B8 B12 B10 102.0(2) . . . . ? B6 B7 B12 B11 -37.07(19) . . . . ? Cl6 B7 B12 B11 111.0(2) . . . . ? B2 B7 B12 B11 -101.2(2) . . . . ? B8 B7 B12 B11 -138.9(2) . . . . ? B6 B7 B12 B9 64.4(2) . . . . ? Cl6 B7 B12 B9 -147.52(19) . . . . ? B2 B7 B12 B9 0.3(3) . . . . ? B8 B7 B12 B9 -37.41(18) . . . . ? B11 B7 B12 B9 101.4(2) . . . . ? B6 B7 B12 B8 101.8(2) . . . . ? Cl6 B7 B12 B8 -110.1(2) . . . . ? B2 B7 B12 B8 37.69(18) . . . . ? B11 B7 B12 B8 138.9(2) . . . . ? B6 B7 B12 Cl11 -147.85(19) . . . . ? Cl6 B7 B12 Cl11 0.2(3) . . . . ? B2 B7 B12 Cl11 148.05(19) . . . . ? B8 B7 B12 Cl11 110.4(2) . . . . ? B11 B7 B12 Cl11 -110.8(2) . . . . ? B6 B7 B12 B10 0.1(3) . . . . ? Cl6 B7 B12 B10 148.16(19) . . . . ? B2 B7 B12 B10 -64.0(2) . . . . ? B8 B7 B12 B10 -101.7(2) . . . . ? B11 B7 B12 B10 37.12(19) . . . . ? Cl9 B10 B12 B11 -111.7(2) . . . . ? B4 B10 B12 B11 100.5(2) . . . . ? B5 B10 B12 B11 37.12(19) . . . . ? B9 B10 B12 B11 137.8(2) . . . . ? Cl9 B10 B12 B9 110.5(2) . . . . ? B4 B10 B12 B9 -37.25(18) . . . . ? B5 B10 B12 B9 -100.6(2) . . . . ? B11 B10 B12 B9 -137.8(2) . . . . ? Cl9 B10 B12 B8 146.75(19) . . . . ? B4 B10 B12 B8 -1.0(3) . . . . ? B5 B10 B12 B8 -64.4(2) . . . . ? B9 B10 B12 B8 36.24(18) . . . . ? B11 B10 B12 B8 -101.5(2) . . . . ? Cl9 B10 B12 B7 -148.86(19) . . . . ? B4 B10 B12 B7 63.4(2) . . . . ? B5 B10 B12 B7 0.0(3) . . . . ? B9 B10 B12 B7 100.6(2) . . . . ? B11 B10 B12 B7 -37.13(19) . . . . ? Cl9 B10 B12 Cl11 -0.1(3) . . . . ? B4 B10 B12 Cl11 -147.84(18) . . . . ? B5 B10 B12 Cl11 148.78(18) . . . . ? B9 B10 B12 Cl11 -110.6(2) . . . . ? B11 B10 B12 Cl11 111.7(2) . . . . ? B3" C1" B2" Cl12 107.6(2) . . . . ? B5" C1" B2" Cl12 -145.5(2) . . . . ? B6" C1" B2" Cl12 -109.4(2) . . . . ? B4" C1" B2" Cl12 144.2(2) . . . . ? B3" C1" B2" B7" -102.4(2) . . . . ? B5" C1" B2" B7" 4.4(3) . . . . ? B6" C1" B2" B7" 40.48(18) . . . . ? B4" C1" B2" B7" -65.9(3) . . . . ? B3" C1" B2" B8" -39.71(18) . . . . ? B5" C1" B2" B8" 67.1(2) . . . . ? B6" C1" B2" B8" 103.2(2) . . . . ? B4" C1" B2" B8" -3.2(3) . . . . ? B3" C1" B2" B6" -142.9(2) . . . . ? B5" C1" B2" B6" -36.1(2) . . . . ? B4" C1" B2" B6" -106.4(2) . . . . ? B5" C1" B2" B3" 106.8(2) . . . . ? B6" C1" B2" B3" 142.9(2) . . . . ? B4" C1" B2" B3" 36.6(2) . . . . ? B5" C1" B3" Cl13 145.0(2) . . . . ? B2" C1" B3" Cl13 -108.2(2) . . . . ? B6" C1" B3" Cl13 -144.45(19) . . . . ? B4" C1" B3" Cl13 108.7(2) . . . . ? B5" C1" B3" B8" -66.7(2) . . . . ? B2" C1" B3" B8" 40.00(18) . . . . ? B6" C1" B3" B8" 3.8(3) . . . . ? B4" C1" B3" B8" -103.1(2) . . . . ? B5" C1" B3" B9" -4.0(3) . . . . ? B2" C1" B3" B9" 102.8(2) . . . . ? B6" C1" B3" B9" 66.6(2) . . . . ? B4" C1" B3" B9" -40.29(19) . . . . ? B5" C1" B3" B2" -106.7(2) . . . . ? B6" C1" B3" B2" -36.2(2) . . . . ? B4" C1" B3" B2" -143.1(2) . . . . ? B5" C1" B3" B4" 36.3(2) . . . . ? B2" C1" B3" B4" 143.1(2) . . . . ? B6" C1" B3" B4" 106.8(2) . . . . ? Cl12 B2" B3" C1" -112.3(2) . . . . ? B7" B2" B3" C1" 96.2(2) . . . . ? B8" B2" B3" C1" 133.9(2) . . . . ? B6" B2" B3" C1" 32.84(19) . . . . ? C1" B2" B3" Cl13 111.0(2) . . . . ? Cl12 B2" B3" Cl13 -1.3(3) . . . . ? B7" B2" B3" Cl13 -152.84(19) . . . . ? B8" B2" B3" Cl13 -115.1(2) . . . . ? B6" B2" B3" Cl13 143.8(2) . . . . ? C1" B2" B3" B8" -133.9(2) . . . . ? Cl12 B2" B3" B8" 113.8(2) . . . . ? B7" B2" B3" B8" -37.76(19) . . . . ? B6" B2" B3" B8" -101.1(2) . . . . ? C1" B2" B3" B9" -96.3(2) . . . . ? Cl12 B2" B3" B9" 151.38(19) . . . . ? B7" B2" B3" B9" -0.2(3) . . . . ? B8" B2" B3" B9" 37.57(19) . . . . ? B6" B2" B3" B9" -63.5(2) . . . . ? C1" B2" B3" B4" -32.86(18) . . . . ? Cl12 B2" B3" B4" -145.14(19) . . . . ? B7" B2" B3" B4" 63.3(2) . . . . ? B8" B2" B3" B4" 101.0(2) . . . . ? B6" B2" B3" B4" 0.0(3) . . . . ? B3" C1" B4" Cl14 -108.2(2) . . . . ? B5" C1" B4" Cl14 109.0(2) . . . . ? B2" C1" B4" Cl14 -144.7(2) . . . . ? B6" C1" B4" Cl14 145.1(2) . . . . ? B3" C1" B4" B10" 102.4(2) . . . . ? B5" C1" B4" B10" -40.45(19) . . . . ? B2" C1" B4" B10" 65.8(3) . . . . ? B6" C1" B4" B10" -4.4(3) . . . . ? B3" C1" B4" B9" 39.80(19) . . . . ? B5" C1" B4" B9" -103.0(2) . . . . ? B2" C1" B4" B9" 3.2(3) . . . . ? B6" C1" B4" B9" -67.0(2) . . . . ? B3" C1" B4" B5" 142.8(2) . . . . ? B2" C1" B4" B5" 106.3(2) . . . . ? B6" C1" B4" B5" 36.1(2) . . . . ? B5" C1" B4" B3" -142.8(2) . . . . ? B2" C1" B4" B3" -36.6(2) . . . . ? B6" C1" B4" B3" -106.8(2) . . . . ? Cl13 B3" B4" C1" -111.1(2) . . . . ? B8" B3" B4" C1" 96.1(2) . . . . ? B9" B3" B4" C1" 133.7(2) . . . . ? B2" B3" B4" C1" 32.71(18) . . . . ? C1" B3" B4" Cl14 110.7(2) . . . . ? Cl13 B3" B4" Cl14 -0.3(3) . . . . ? B8" B3" B4" Cl14 -153.17(19) . . . . ? B9" B3" B4" Cl14 -115.6(2) . . . . ? B2" B3" B4" Cl14 143.45(19) . . . . ? C1" B3" B4" B10" -95.5(2) . . . . ? Cl13 B3" B4" B10" 153.40(19) . . . . ? B8" B3" B4" B10" 0.5(3) . . . . ? B9" B3" B4" B10" 38.15(19) . . . . ? B2" B3" B4" B10" -62.8(2) . . . . ? C1" B3" B4" B9" -133.7(2) . . . . ? Cl13 B3" B4" B9" 115.3(2) . . . . ? B8" B3" B4" B9" -37.60(19) . . . . ? B2" B3" B4" B9" -101.0(2) . . . . ? C1" B3" B4" B5" -32.50(18) . . . . ? Cl13 B3" B4" B5" -143.56(19) . . . . ? B8" B3" B4" B5" 63.6(2) . . . . ? B9" B3" B4" B5" 101.2(2) . . . . ? B2" B3" B4" B5" 0.2(3) . . . . ? B3" C1" B5" Cl15 -144.62(19) . . . . ? B2" C1" B5" Cl15 144.58(19) . . . . ? B6" C1" B5" Cl15 108.7(2) . . . . ? B4" C1" B5" Cl15 -108.1(2) . . . . ? B3" C1" B5" B10" 3.8(3) . . . . ? B2" C1" B5" B10" -67.0(2) . . . . ? B6" C1" B5" B10" -102.9(2) . . . . ? B4" C1" B5" B10" 40.39(18) . . . . ? B3" C1" B5" B11" 67.0(2) . . . . ? B2" C1" B5" B11" -3.8(3) . . . . ? B6" C1" B5" B11" -39.72(18) . . . . ? B4" C1" B5" B11" 103.6(2) . . . . ? B3" C1" B5" B4" -36.6(2) . . . . ? B2" C1" B5" B4" -107.4(2) . . . . ? B6" C1" B5" B4" -143.3(2) . . . . ? B3" C1" B5" B6" 106.7(2) . . . . ? B2" C1" B5" B6" 35.9(2) . . . . ? B4" C1" B5" B6" 143.3(2) . . . . ? Cl14 B4" B5" C1" -110.7(2) . . . . ? B10" B4" B5" C1" 133.3(2) . . . . ? B9" B4" B5" C1" 94.9(2) . . . . ? B3" B4" B5" C1" 32.32(18) . . . . ? C1" B4" B5" Cl15 109.9(2) . . . . ? Cl14 B4" B5" Cl15 -0.8(3) . . . . ? B10" B4" B5" Cl15 -116.9(2) . . . . ? B9" B4" B5" Cl15 -155.17(18) . . . . ? B3" B4" B5" Cl15 142.21(19) . . . . ? C1" B4" B5" B10" -133.3(2) . . . . ? Cl14 B4" B5" B10" 116.0(2) . . . . ? B9" B4" B5" B10" -38.31(19) . . . . ? B3" B4" B5" B10" -100.9(2) . . . . ? C1" B4" B5" B11" -95.8(2) . . . . ? Cl14 B4" B5" B11" 153.54(19) . . . . ? B10" B4" B5" B11" 37.49(19) . . . . ? B9" B4" B5" B11" -0.8(3) . . . . ? B3" B4" B5" B11" -63.4(2) . . . . ? C1" B4" B5" B6" -32.64(19) . . . . ? Cl14 B4" B5" B6" -143.3(2) . . . . ? B10" B4" B5" B6" 100.6(2) . . . . ? B9" B4" B5" B6" 62.3(2) . . . . ? B3" B4" B5" B6" -0.3(3) . . . . ? B3" C1" B6" B11" -66.7(2) . . . . ? B5" C1" B6" B11" 39.96(18) . . . . ? B2" C1" B6" B11" -103.2(2) . . . . ? B4" C1" B6" B11" 4.0(3) . . . . ? B3" C1" B6" Cl16 144.73(19) . . . . ? B5" C1" B6" Cl16 -108.6(2) . . . . ? B2" C1" B6" Cl16 108.2(2) . . . . ? B4" C1" B6" Cl16 -144.5(2) . . . . ? B3" C1" B6" B7" -3.9(3) . . . . ? B5" C1" B6" B7" 102.8(2) . . . . ? B2" C1" B6" B7" -40.36(18) . . . . ? B4" C1" B6" B7" 66.9(2) . . . . ? B3" C1" B6" B2" 36.5(2) . . . . ? B5" C1" B6" B2" 143.2(2) . . . . ? B4" C1" B6" B2" 107.3(2) . . . . ? B3" C1" B6" B5" -106.7(2) . . . . ? B2" C1" B6" B5" -143.2(2) . . . . ? B4" C1" B6" B5" -35.9(2) . . . . ? Cl12 B2" B6" C1" 112.1(2) . . . . ? B7" B2" B6" C1" -133.4(2) . . . . ? B8" B2" B6" C1" -95.4(2) . . . . ? B3" B2" B6" C1" -32.56(18) . . . . ? C1" B2" B6" B11" 95.8(2) . . . . ? Cl12 B2" B6" B11" -152.13(19) . . . . ? B7" B2" B6" B11" -37.61(19) . . . . ? B8" B2" B6" B11" 0.4(3) . . . . ? B3" B2" B6" B11" 63.2(2) . . . . ? C1" B2" B6" Cl16 -111.3(2) . . . . ? Cl12 B2" B6" Cl16 0.8(3) . . . . ? B7" B2" B6" Cl16 115.3(2) . . . . ? B8" B2" B6" Cl16 153.31(19) . . . . ? B3" B2" B6" Cl16 -143.82(19) . . . . ? C1" B2" B6" B7" 133.4(2) . . . . ? Cl12 B2" B6" B7" -114.5(2) . . . . ? B8" B2" B6" B7" 37.97(19) . . . . ? B3" B2" B6" B7" 100.8(2) . . . . ? C1" B2" B6" B5" 32.38(18) . . . . ? Cl12 B2" B6" B5" 144.5(2) . . . . ? B7" B2" B6" B5" -101.0(2) . . . . ? B8" B2" B6" B5" -63.0(2) . . . . ? B3" B2" B6" B5" -0.2(3) . . . . ? Cl15 B5" B6" C1" -109.5(2) . . . . ? B10" B5" B6" C1" 96.0(2) . . . . ? B11" B5" B6" C1" 134.0(2) . . . . ? B4" B5" B6" C1" 32.80(19) . . . . ? C1" B5" B6" B11" -134.0(2) . . . . ? Cl15 B5" B6" B11" 116.5(2) . . . . ? B10" B5" B6" B11" -38.04(19) . . . . ? B4" B5" B6" B11" -101.2(2) . . . . ? C1" B5" B6" Cl16 111.0(2) . . . . ? Cl15 B5" B6" Cl16 1.5(3) . . . . ? B10" B5" B6" Cl16 -153.1(2) . . . . ? B11" B5" B6" Cl16 -115.0(2) . . . . ? B4" B5" B6" Cl16 143.8(2) . . . . ? C1" B5" B6" B7" -95.7(2) . . . . ? Cl15 B5" B6" B7" 154.81(19) . . . . ? B10" B5" B6" B7" 0.2(3) . . . . ? B11" B5" B6" B7" 38.27(19) . . . . ? B4" B5" B6" B7" -62.9(3) . . . . ? C1" B5" B6" B2" -32.49(19) . . . . ? Cl15 B5" B6" B2" -141.9(2) . . . . ? B10" B5" B6" B2" 63.5(3) . . . . ? B11" B5" B6" B2" 101.5(2) . . . . ? B4" B5" B6" B2" 0.3(3) . . . . ? C1" B2" B7" Cl17 -151.39(19) . . . . ? Cl12 B2" B7" Cl17 -2.1(3) . . . . ? B8" B2" B7" Cl17 110.7(2) . . . . ? B6" B2" B7" Cl17 -111.4(2) . . . . ? B3" B2" B7" Cl17 147.90(19) . . . . ? C1" B2" B7" B6" -39.96(18) . . . . ? Cl12 B2" B7" B6" 109.3(2) . . . . ? B8" B2" B7" B6" -137.9(2) . . . . ? B3" B2" B7" B6" -100.7(2) . . . . ? C1" B2" B7" B12" 60.5(2) . . . . ? Cl12 B2" B7" B12" -150.2(2) . . . . ? B8" B2" B7" B12" -37.46(19) . . . . ? B6" B2" B7" B12" 100.4(2) . . . . ? B3" B2" B7" B12" -0.2(3) . . . . ? C1" B2" B7" B8" 97.9(2) . . . . ? Cl12 B2" B7" B8" -112.8(2) . . . . ? B6" B2" B7" B8" 137.9(2) . . . . ? B3" B2" B7" B8" 37.23(18) . . . . ? C1" B2" B7" B11" -3.1(2) . . . . ? Cl12 B2" B7" B11" 146.2(2) . . . . ? B8" B2" B7" B11" -101.0(2) . . . . ? B6" B2" B7" B11" 36.91(19) . . . . ? B3" B2" B7" B11" -63.8(2) . . . . ? C1" B6" B7" B2" 39.76(17) . . . . ? B11" B6" B7" B2" 138.5(2) . . . . ? Cl16 B6" B7" B2" -107.6(2) . . . . ? B5" B6" B7" B2" 100.6(2) . . . . ? C1" B6" B7" Cl17 150.36(19) . . . . ? B11" B6" B7" Cl17 -110.9(2) . . . . ? Cl16 B6" B7" Cl17 3.0(3) . . . . ? B2" B6" B7" Cl17 110.6(2) . . . . ? B5" B6" B7" Cl17 -148.82(19) . . . . ? C1" B6" B7" B12" -61.2(2) . . . . ? B11" B6" B7" B12" 37.47(19) . . . . ? Cl16 B6" B7" B12" 151.4(2) . . . . ? B2" B6" B7" B12" -101.0(2) . . . . ? B5" B6" B7" B12" -0.4(3) . . . . ? C1" B6" B7" B8" 2.3(2) . . . . ? B11" B6" B7" B8" 101.0(2) . . . . ? Cl16 B6" B7" B8" -145.1(2) . . . . ? B2" B6" B7" B8" -37.50(18) . . . . ? B5" B6" B7" B8" 63.1(2) . . . . ? C1" B6" B7" B11" -98.7(2) . . . . ? Cl16 B6" B7" B11" 113.9(2) . . . . ? B2" B6" B7" B11" -138.5(2) . . . . ? B5" B6" B7" B11" -37.89(19) . . . . ? C1" B3" B8" B2" -39.40(18) . . . . ? Cl13 B3" B8" B2" 107.6(2) . . . . ? B9" B3" B8" B2" -138.3(2) . . . . ? B4" B3" B8" B2" -101.0(2) . . . . ? C1" B3" B8" B9" 98.9(2) . . . . ? Cl13 B3" B8" B9" -114.1(2) . . . . ? B2" B3" B8" B9" 138.3(2) . . . . ? B4" B3" B8" B9" 37.32(19) . . . . ? C1" B3" B8" B7" -2.0(2) . . . . ? Cl13 B3" B8" B7" 144.95(19) . . . . ? B9" B3" B8" B7" -101.0(2) . . . . ? B2" B3" B8" B7" 37.35(19) . . . . ? B4" B3" B8" B7" -63.7(2) . . . . ? C1" B3" B8" B12" 61.2(2) . . . . ? Cl13 B3" B8" B12" -151.78(19) . . . . ? B9" B3" B8" B12" -37.72(19) . . . . ? B2" B3" B8" B12" 100.6(2) . . . . ? B4" B3" B8" B12" -0.4(3) . . . . ? C1" B3" B8" Cl18 -148.53(18) . . . . ? Cl13 B3" B8" Cl18 -1.5(3) . . . . ? B9" B3" B8" Cl18 112.5(2) . . . . ? B2" B3" B8" Cl18 -109.1(2) . . . . ? B4" B3" B8" Cl18 149.85(18) . . . . ? C1" B2" B8" B3" 39.07(18) . . . . ? Cl12 B2" B8" B3" -107.9(2) . . . . ? B7" B2" B8" B3" 138.1(2) . . . . ? B6" B2" B8" B3" 100.4(2) . . . . ? C1" B2" B8" B9" 1.7(3) . . . . ? Cl12 B2" B8" B9" -145.3(2) . . . . ? B7" B2" B8" B9" 100.7(2) . . . . ? B6" B2" B8" B9" 63.1(3) . . . . ? B3" B2" B8" B9" -37.37(19) . . . . ? C1" B2" B8" B7" -99.0(2) . . . . ? Cl12 B2" B8" B7" 114.0(2) . . . . ? B6" B2" B8" B7" -37.65(19) . . . . ? B3" B2" B8" B7" -138.1(2) . . . . ? C1" B2" B8" B12" -61.8(2) . . . . ? Cl12 B2" B8" B12" 151.3(2) . . . . ? B7" B2" B8" B12" 37.25(19) . . . . ? B6" B2" B8" B12" -0.4(3) . . . . ? B3" B2" B8" B12" -100.8(2) . . . . ? C1" B2" B8" Cl18 150.09(19) . . . . ? Cl12 B2" B8" Cl18 3.1(3) . . . . ? B7" B2" B8" Cl18 -110.9(2) . . . . ? B6" B2" B8" Cl18 -148.55(19) . . . . ? B3" B2" B8" Cl18 111.0(2) . . . . ? B2" B7" B8" B3" -37.87(19) . . . . ? Cl17 B7" B8" B3" -148.41(19) . . . . ? B6" B7" B8" B3" -0.1(3) . . . . ? B12" B7" B8" B3" 100.3(2) . . . . ? B11" B7" B8" B3" 62.8(2) . . . . ? Cl17 B7" B8" B2" -110.5(2) . . . . ? B6" B7" B8" B2" 37.73(19) . . . . ? B12" B7" B8" B2" 138.1(2) . . . . ? B11" B7" B8" B2" 100.6(2) . . . . ? B2" B7" B8" B9" -101.3(2) . . . . ? Cl17 B7" B8" B9" 148.1(2) . . . . ? B6" B7" B8" B9" -63.6(2) . . . . ? B12" B7" B8" B9" 36.8(2) . . . . ? B11" B7" B8" B9" -0.7(3) . . . . ? B2" B7" B8" B12" -138.1(2) . . . . ? Cl17 B7" B8" B12" 111.3(2) . . . . ? B6" B7" B8" B12" -100.4(2) . . . . ? B11" B7" B8" B12" -37.51(19) . . . . ? B2" B7" B8" Cl18 108.5(2) . . . . ? Cl17 B7" B8" Cl18 -2.0(3) . . . . ? B6" B7" B8" Cl18 146.22(19) . . . . ? B12" B7" B8" Cl18 -113.4(2) . . . . ? B11" B7" B8" Cl18 -150.87(19) . . . . ? C1" B3" B9" Cl19 150.36(19) . . . . ? Cl13 B3" B9" Cl19 2.6(3) . . . . ? B8" B3" B9" Cl19 -111.1(2) . . . . ? B2" B3" B9" Cl19 -148.39(19) . . . . ? B4" B3" B9" Cl19 110.5(2) . . . . ? C1" B3" B9" B4" 39.84(18) . . . . ? Cl13 B3" B9" B4" -107.9(2) . . . . ? B8" B3" B9" B4" 138.3(2) . . . . ? B2" B3" B9" B4" 101.1(2) . . . . ? C1" B3" B9" B8" -98.5(2) . . . . ? Cl13 B3" B9" B8" 113.8(2) . . . . ? B2" B3" B9" B8" -37.24(19) . . . . ? B4" B3" B9" B8" -138.3(2) . . . . ? C1" B3" B9" B12" -60.7(2) . . . . ? Cl13 B3" B9" B12" 151.5(2) . . . . ? B8" B3" B9" B12" 37.77(19) . . . . ? B2" B3" B9" B12" 0.5(3) . . . . ? B4" B3" B9" B12" -100.6(2) . . . . ? C1" B3" B9" B10" 2.3(3) . . . . ? Cl13 B3" B9" B10" -145.4(2) . . . . ? B8" B3" B9" B10" 100.8(2) . . . . ? B2" B3" B9" B10" 63.6(2) . . . . ? B4" B3" B9" B10" -37.49(19) . . . . ? C1" B4" B9" B3" -38.99(18) . . . . ? Cl14 B4" B9" B3" 107.5(2) . . . . ? B10" B4" B9" B3" -137.5(2) . . . . ? B5" B4" B9" B3" -99.6(2) . . . . ? C1" B4" B9" Cl19 -150.18(19) . . . . ? Cl14 B4" B9" Cl19 -3.7(3) . . . . ? B10" B4" B9" Cl19 111.3(2) . . . . ? B5" B4" B9" Cl19 149.24(19) . . . . ? B3" B4" B9" Cl19 -111.2(2) . . . . ? C1" B4" B9" B8" -1.9(3) . . . . ? Cl14 B4" B9" B8" 144.6(2) . . . . ? B10" B4" B9" B8" -100.4(2) . . . . ? B5" B4" B9" B8" -62.5(2) . . . . ? B3" B4" B9" B8" 37.12(19) . . . . ? C1" B4" B9" B12" 61.7(2) . . . . ? Cl14 B4" B9" B12" -151.8(2) . . . . ? B10" B4" B9" B12" -36.85(18) . . . . ? B5" B4" B9" B12" 1.1(3) . . . . ? B3" B4" B9" B12" 100.7(2) . . . . ? C1" B4" B9" B10" 98.5(2) . . . . ? Cl14 B4" B9" B10" -115.0(2) . . . . ? B5" B4" B9" B10" 37.96(19) . . . . ? B3" B4" B9" B10" 137.5(2) . . . . ? B2" B8" B9" B3" 37.74(19) . . . . ? B7" B8" B9" B3" 100.9(2) . . . . ? B12" B8" B9" B3" 137.7(2) . . . . ? Cl18 B8" B9" B3" -109.5(2) . . . . ? B3" B8" B9" Cl19 110.3(2) . . . . ? B2" B8" B9" Cl19 148.1(2) . . . . ? B7" B8" B9" Cl19 -148.7(2) . . . . ? B12" B8" B9" Cl19 -112.0(2) . . . . ? Cl18 B8" B9" Cl19 0.9(3) . . . . ? B3" B8" B9" B4" -37.6(2) . . . . ? B2" B8" B9" B4" 0.1(3) . . . . ? B7" B8" B9" B4" 63.3(3) . . . . ? B12" B8" B9" B4" 100.1(2) . . . . ? Cl18 B8" B9" B4" -147.1(2) . . . . ? B3" B8" B9" B12" -137.7(2) . . . . ? B2" B8" B9" B12" -99.9(2) . . . . ? B7" B8" B9" B12" -36.8(2) . . . . ? Cl18 B8" B9" B12" 112.8(2) . . . . ? B3" B8" B9" B10" -100.3(2) . . . . ? B2" B8" B9" B10" -62.5(3) . . . . ? B7" B8" B9" B10" 0.7(3) . . . . ? B12" B8" B9" B10" 37.42(19) . . . . ? Cl18 B8" B9" B10" 150.3(2) . . . . ? C1" B4" B10" B5" 39.64(18) . . . . ? Cl14 B4" B10" B5" -108.2(2) . . . . ? B9" B4" B10" B5" 137.4(2) . . . . ? B3" B4" B10" B5" 99.8(2) . . . . ? C1" B4" B10" Cl20 151.38(19) . . . . ? Cl14 B4" B10" Cl20 3.5(3) . . . . ? B9" B4" B10" Cl20 -110.8(2) . . . . ? B5" B4" B10" Cl20 111.7(2) . . . . ? B3" B4" B10" Cl20 -148.43(19) . . . . ? C1" B4" B10" B12" -60.7(2) . . . . ? Cl14 B4" B10" B12" 151.5(2) . . . . ? B9" B4" B10" B12" 37.13(19) . . . . ? B5" B4" B10" B12" -100.3(2) . . . . ? B3" B4" B10" B12" -0.5(3) . . . . ? C1" B4" B10" B9" -97.8(2) . . . . ? Cl14 B4" B10" B9" 114.3(2) . . . . ? B5" B4" B10" B9" -137.4(2) . . . . ? B3" B4" B10" B9" -37.61(18) . . . . ? C1" B4" B10" B11" 2.8(3) . . . . ? Cl14 B4" B10" B11" -145.0(2) . . . . ? B9" B4" B10" B11" 100.6(2) . . . . ? B5" B4" B10" B11" -36.80(19) . . . . ? B3" B4" B10" B11" 63.0(2) . . . . ? C1" B5" B10" B4" -40.16(18) . . . . ? Cl15 B5" B10" B4" 105.9(2) . . . . ? B11" B5" B10" B4" -138.8(2) . . . . ? B6" B5" B10" B4" -101.4(2) . . . . ? C1" B5" B10" Cl20 -150.94(19) . . . . ? Cl15 B5" B10" Cl20 -4.8(4) . . . . ? B11" B5" B10" Cl20 110.4(2) . . . . ? B4" B5" B10" Cl20 -110.8(2) . . . . ? B6" B5" B10" Cl20 147.8(2) . . . . ? C1" B5" B10" B12" 61.3(2) . . . . ? Cl15 B5" B10" B12" -152.6(2) . . . . ? B11" B5" B10" B12" -37.29(19) . . . . ? B4" B5" B10" B12" 101.5(2) . . . . ? B6" B5" B10" B12" 0.1(3) . . . . ? C1" B5" B10" B9" -2.0(3) . . . . ? Cl15 B5" B10" B9" 144.1(2) . . . . ? B11" B5" B10" B9" -100.7(2) . . . . ? B4" B5" B10" B9" 38.12(19) . . . . ? B6" B5" B10" B9" -63.3(3) . . . . ? C1" B5" B10" B11" 98.6(2) . . . . ? Cl15 B5" B10" B11" -115.3(3) . . . . ? B4" B5" B10" B11" 138.8(2) . . . . ? B6" B5" B10" B11" 37.34(19) . . . . ? B3" B9" B10" B4" 38.14(19) . . . . ? Cl19 B9" B10" B4" -109.7(2) . . . . ? B8" B9" B10" B4" 101.0(2) . . . . ? B12" B9" B10" B4" 138.6(2) . . . . ? B3" B9" B10" B5" -0.2(3) . . . . ? Cl19 B9" B10" B5" -148.0(2) . . . . ? B4" B9" B10" B5" -38.32(19) . . . . ? B8" B9" B10" B5" 62.7(3) . . . . ? B12" B9" B10" B5" 100.2(2) . . . . ? B3" B9" B10" Cl20 148.93(19) . . . . ? Cl19 B9" B10" Cl20 1.1(3) . . . . ? B4" B9" B10" Cl20 110.8(2) . . . . ? B8" B9" B10" Cl20 -148.2(2) . . . . ? B12" B9" B10" Cl20 -110.6(2) . . . . ? B3" B9" B10" B12" -100.4(2) . . . . ? Cl19 B9" B10" B12" 111.8(2) . . . . ? B4" B9" B10" B12" -138.6(2) . . . . ? B8" B9" B10" B12" -37.58(19) . . . . ? B3" B9" B10" B11" -63.2(3) . . . . ? Cl19 B9" B10" B11" 149.0(2) . . . . ? B4" B9" B10" B11" -101.4(2) . . . . ? B8" B9" B10" B11" -0.4(3) . . . . ? B12" B9" B10" B11" 37.21(19) . . . . ? C1" B6" B11" B5" -39.18(18) . . . . ? Cl16 B6" B11" B5" 108.2(2) . . . . ? B7" B6" B11" B5" -137.6(2) . . . . ? B2" B6" B11" B5" -100.4(2) . . . . ? C1" B6" B11" Cl21 -152.02(19) . . . . ? Cl16 B6" B11" Cl21 -4.6(3) . . . . ? B7" B6" B11" Cl21 109.6(2) . . . . ? B2" B6" B11" Cl21 146.77(19) . . . . ? B5" B6" B11" Cl21 -112.8(2) . . . . ? C1" B6" B11" B7" 98.4(2) . . . . ? Cl16 B6" B11" B7" -114.2(2) . . . . ? B2" B6" B11" B7" 37.20(19) . . . . ? B5" B6" B11" B7" 137.6(2) . . . . ? C1" B6" B11" B12" 61.0(2) . . . . ? Cl16 B6" B11" B12" -151.6(2) . . . . ? B7" B6" B11" B12" -37.38(19) . . . . ? B2" B6" B11" B12" -0.2(3) . . . . ? B5" B6" B11" B12" 100.2(2) . . . . ? C1" B6" B11" B10" -1.9(3) . . . . ? Cl16 B6" B11" B10" 145.5(2) . . . . ? B7" B6" B11" B10" -100.3(2) . . . . ? B2" B6" B11" B10" -63.1(2) . . . . ? B5" B6" B11" B10" 37.27(19) . . . . ? C1" B5" B11" B6" 39.36(18) . . . . ? Cl15 B5" B11" B6" -106.7(2) . . . . ? B10" B5" B11" B6" 138.0(2) . . . . ? B4" B5" B11" B6" 101.1(2) . . . . ? C1" B5" B11" Cl21 149.84(19) . . . . ? Cl15 B5" B11" Cl21 3.8(3) . . . . ? B10" B5" B11" Cl21 -111.5(2) . . . . ? B4" B5" B11" Cl21 -148.39(19) . . . . ? B6" B5" B11" Cl21 110.5(2) . . . . ? C1" B5" B11" B7" 1.6(3) . . . . ? Cl15 B5" B11" B7" -144.5(2) . . . . ? B10" B5" B11" B7" 100.2(2) . . . . ? B4" B5" B11" B7" 63.3(2) . . . . ? B6" B5" B11" B7" -37.80(19) . . . . ? C1" B5" B11" B12" -61.6(2) . . . . ? Cl15 B5" B11" B12" 152.4(2) . . . . ? B10" B5" B11" B12" 37.06(19) . . . . ? B4" B5" B11" B12" 0.2(3) . . . . ? B6" B5" B11" B12" -100.9(2) . . . . ? C1" B5" B11" B10" -98.6(2) . . . . ? Cl15 B5" B11" B10" 115.3(2) . . . . ? B4" B5" B11" B10" -36.87(18) . . . . ? B6" B5" B11" B10" -138.0(2) . . . . ? B2" B7" B11" B6" -37.26(19) . . . . ? Cl17 B7" B11" B6" 110.9(2) . . . . ? B12" B7" B11" B6" -138.0(2) . . . . ? B8" B7" B11" B6" -100.5(2) . . . . ? B2" B7" B11" B5" 0.9(3) . . . . ? Cl17 B7" B11" B5" 149.1(2) . . . . ? B6" B7" B11" B5" 38.21(19) . . . . ? B12" B7" B11" B5" -99.8(2) . . . . ? B8" B7" B11" B5" -62.3(3) . . . . ? B2" B7" B11" Cl21 -148.21(19) . . . . ? Cl17 B7" B11" Cl21 -0.1(3) . . . . ? B6" B7" B11" Cl21 -110.9(2) . . . . ? B12" B7" B11" Cl21 111.0(2) . . . . ? B8" B7" B11" Cl21 148.6(2) . . . . ? B2" B7" B11" B12" 100.8(2) . . . . ? Cl17 B7" B11" B12" -111.1(2) . . . . ? B6" B7" B11" B12" 138.0(2) . . . . ? B8" B7" B11" B12" 37.5(2) . . . . ? B2" B7" B11" B10" 63.7(2) . . . . ? Cl17 B7" B11" B10" -148.2(2) . . . . ? B6" B7" B11" B10" 100.9(2) . . . . ? B12" B7" B11" B10" -37.08(19) . . . . ? B8" B7" B11" B10" 0.4(3) . . . . ? B4" B10" B11" B6" -0.6(3) . . . . ? B5" B10" B11" B6" -37.84(19) . . . . ? Cl20 B10" B11" B6" -149.1(2) . . . . ? B12" B10" B11" B6" 100.3(2) . . . . ? B9" B10" B11" B6" 63.1(3) . . . . ? B4" B10" B11" B5" 37.23(19) . . . . ? Cl20 B10" B11" B5" -111.3(2) . . . . ? B12" B10" B11" B5" 138.1(2) . . . . ? B9" B10" B11" B5" 100.9(2) . . . . ? B4" B10" B11" Cl21 149.0(2) . . . . ? B5" B10" B11" Cl21 111.8(2) . . . . ? Cl20 B10" B11" Cl21 0.5(3) . . . . ? B12" B10" B11" Cl21 -110.1(2) . . . . ? B9" B10" B11" Cl21 -147.3(2) . . . . ? B4" B10" B11" B7" -63.7(3) . . . . ? B5" B10" B11" B7" -100.9(2) . . . . ? Cl20 B10" B11" B7" 147.8(2) . . . . ? B12" B10" B11" B7" 37.19(19) . . . . ? B9" B10" B11" B7" 0.0(3) . . . . ? B4" B10" B11" B12" -100.9(2) . . . . ? B5" B10" B11" B12" -138.1(2) . . . . ? Cl20 B10" B11" B12" 110.6(2) . . . . ? B9" B10" B11" B12" -37.23(19) . . . . ? B4" B10" B12" Cl22 -148.2(2) . . . . ? B5" B10" B12" Cl22 147.8(2) . . . . ? Cl20 B10" B12" Cl22 -0.2(3) . . . . ? B9" B10" B12" Cl22 -111.0(2) . . . . ? B11" B10" B12" Cl22 110.7(2) . . . . ? B4" B10" B12" B7" 63.7(3) . . . . ? B5" B10" B12" B7" -0.3(3) . . . . ? Cl20 B10" B12" B7" -148.3(2) . . . . ? B9" B10" B12" B7" 100.9(2) . . . . ? B11" B10" B12" B7" -37.45(19) . . . . ? B4" B10" B12" B9" -37.18(19) . . . . ? B5" B10" B12" B9" -101.2(2) . . . . ? Cl20 B10" B12" B9" 110.8(2) . . . . ? B11" B10" B12" B9" -138.4(2) . . . . ? B4" B10" B12" B11" 101.2(2) . . . . ? B5" B10" B12" B11" 37.15(19) . . . . ? Cl20 B10" B12" B11" -110.9(2) . . . . ? B9" B10" B12" B11" 138.4(2) . . . . ? B4" B10" B12" B8" 0.2(3) . . . . ? B5" B10" B12" B8" -63.8(3) . . . . ? Cl20 B10" B12" B8" 148.2(2) . . . . ? B9" B10" B12" B8" 37.42(19) . . . . ? B11" B10" B12" B8" -100.9(2) . . . . ? B2" B7" B12" Cl22 148.9(2) . . . . ? Cl17 B7" B12" Cl22 1.0(3) . . . . ? B6" B7" B12" Cl22 -147.4(2) . . . . ? B8" B7" B12" Cl22 111.6(2) . . . . ? B11" B7" B12" Cl22 -110.2(2) . . . . ? B2" B7" B12" B10" -63.2(3) . . . . ? Cl17 B7" B12" B10" 148.9(2) . . . . ? B6" B7" B12" B10" 0.4(3) . . . . ? B8" B7" B12" B10" -100.5(2) . . . . ? B11" B7" B12" B10" 37.65(19) . . . . ? B2" B7" B12" B9" 0.6(3) . . . . ? Cl17 B7" B12" B9" -147.4(2) . . . . ? B6" B7" B12" B9" 64.2(3) . . . . ? B8" B7" B12" B9" -36.74(19) . . . . ? B11" B7" B12" B9" 101.4(2) . . . . ? B2" B7" B12" B11" -100.8(2) . . . . ? Cl17 B7" B12" B11" 111.2(2) . . . . ? B6" B7" B12" B11" -37.20(19) . . . . ? B8" B7" B12" B11" -138.1(2) . . . . ? B2" B7" B12" B8" 37.30(19) . . . . ? Cl17 B7" B12" B8" -110.6(2) . . . . ? B6" B7" B12" B8" 100.9(2) . . . . ? B11" B7" B12" B8" 138.1(2) . . . . ? B3" B9" B12" Cl22 -149.10(19) . . . . ? Cl19 B9" B12" Cl22 -0.6(3) . . . . ? B4" B9" B12" Cl22 146.95(19) . . . . ? B8" B9" B12" Cl22 -111.6(2) . . . . ? B10" B9" B12" Cl22 110.4(2) . . . . ? B3" B9" B12" B10" 100.5(2) . . . . ? Cl19 B9" B12" B10" -111.0(2) . . . . ? B4" B9" B12" B10" 36.59(18) . . . . ? B8" B9" B12" B10" 138.0(2) . . . . ? B3" B9" B12" B7" -0.7(3) . . . . ? Cl19 B9" B12" B7" 147.8(2) . . . . ? B4" B9" B12" B7" -64.6(2) . . . . ? B8" B9" B12" B7" 36.81(19) . . . . ? B10" B9" B12" B7" -101.2(2) . . . . ? B3" B9" B12" B11" 63.0(2) . . . . ? Cl19 B9" B12" B11" -148.5(2) . . . . ? B4" B9" B12" B11" -1.0(3) . . . . ? B8" B9" B12" B11" 100.4(2) . . . . ? B10" B9" B12" B11" -37.59(19) . . . . ? B3" B9" B12" B8" -37.48(19) . . . . ? Cl19 B9" B12" B8" 111.0(2) . . . . ? B4" B9" B12" B8" -101.4(2) . . . . ? B10" B9" B12" B8" -138.0(2) . . . . ? B6" B11" B12" Cl22 148.48(19) . . . . ? B5" B11" B12" Cl22 -147.58(19) . . . . ? Cl21 B11" B12" Cl22 1.5(3) . . . . ? B7" B11" B12" Cl22 111.2(2) . . . . ? B10" B11" B12" Cl22 -110.6(2) . . . . ? B6" B11" B12" B10" -100.9(2) . . . . ? B5" B11" B12" B10" -36.97(19) . . . . ? Cl21 B11" B12" B10" 112.2(2) . . . . ? B7" B11" B12" B10" -138.2(2) . . . . ? B6" B11" B12" B7" 37.33(19) . . . . ? B5" B11" B12" B7" 101.3(2) . . . . ? Cl21 B11" B12" B7" -109.6(2) . . . . ? B10" B11" B12" B7" 138.2(2) . . . . ? B6" B11" B12" B9" -63.4(2) . . . . ? B5" B11" B12" B9" 0.5(3) . . . . ? Cl21 B11" B12" B9" 149.64(19) . . . . ? B7" B11" B12" B9" -100.8(2) . . . . ? B10" B11" B12" B9" 37.47(19) . . . . ? B6" B11" B12" B8" -0.1(3) . . . . ? B5" B11" B12" B8" 63.9(2) . . . . ? Cl21 B11" B12" B8" -147.01(19) . . . . ? B7" B11" B12" B8" -37.40(19) . . . . ? B10" B11" B12" B8" 100.8(2) . . . . ? B3" B8" B12" Cl22 148.07(19) . . . . ? B2" B8" B12" Cl22 -147.8(2) . . . . ? B9" B8" B12" Cl22 110.4(2) . . . . ? B7" B8" B12" Cl22 -110.7(2) . . . . ? Cl18 B8" B12" Cl22 -1.2(3) . . . . ? B3" B8" B12" B10" 0.1(3) . . . . ? B2" B8" B12" B10" 64.2(2) . . . . ? B9" B8" B12" B10" -37.58(19) . . . . ? B7" B8" B12" B10" 101.3(2) . . . . ? Cl18 B8" B12" B10" -149.17(19) . . . . ? B3" B8" B12" B7" -101.2(2) . . . . ? B2" B8" B12" B7" -37.12(19) . . . . ? B9" B8" B12" B7" -138.9(2) . . . . ? Cl18 B8" B12" B7" 109.5(2) . . . . ? B3" B8" B12" B9" 37.69(19) . . . . ? B2" B8" B12" B9" 101.8(2) . . . . ? B7" B8" B12" B9" 138.9(2) . . . . ? Cl18 B8" B12" B9" -111.6(2) . . . . ? B3" B8" B12" B11" -63.8(2) . . . . ? B2" B8" B12" B11" 0.3(3) . . . . ? B9" B8" B12" B11" -101.5(2) . . . . ? B7" B8" B12" B11" 37.42(19) . . . . ? Cl18 B8" B12" B11" 146.92(19) . . . . ? C2' N1' N2' C3' 56.5(3) . . . . ? C1' N1' N2' C3' -70.0(3) . . . . ? C2' N1' N2' C4' -70.7(3) . . . . ? C1' N1' N2' C4' 162.8(2) . . . . ? C6S C1S C2S C3S 0.1(4) . . . . ? Cl1S C1S C2S C3S -178.8(2) . . . . ? C6S C1S C2S Cl2S -179.8(2) . . . . ? Cl1S C1S C2S Cl2S 1.3(3) . . . . ? C1S C2S C3S C4S 0.5(4) . . . . ? Cl2S C2S C3S C4S -179.6(2) . . . . ? C2S C3S C4S C5S -0.7(4) . . . . ? C3S C4S C5S C6S 0.2(4) . . . . ? C2S C1S C6S C5S -0.6(4) . . . . ? Cl1S C1S C6S C5S 178.4(2) . . . . ? C4S C5S C6S C1S 0.4(4) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N2' H2' Cl10 0.92(3) 2.84(3) 3.408(2) 121(2) 2_666 N2' H2' Cl11 0.92(3) 2.34(3) 3.168(2) 150(2) 2_666 N1' H1' Cl10 0.86(3) 2.88(3) 3.459(2) 126(2) 2_666 N1' H1' Cl8 0.86(3) 2.49(3) 3.266(2) 150(2) 2_566 _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 30.51 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 0.727 _refine_diff_density_min -0.561 _refine_diff_density_rms 0.118