# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_coden_Cambridge 222 _journal_volume ? _journal_page_first ? _journal_year ? loop_ _publ_author_name 'Louis Messerle' 'Michael J Dougherty' 'Dale C. Swenson' 'John Thurston' _publ_contact_author_name 'Louis Messerle' _publ_contact_author_email LOU-MESSERLE@UIOWA.EDU _publ_section_title ; [Bi5(dpd)6?CH3CN](ClO4)3, a supramolecular, tetrahedral pentabismuth cluster derived from a nonabismuth oxo/hydroxide ; # Attachment 'mes627b.cif' data_mes627b _database_code_depnum_ccdc_archive 'CCDC 681839' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '(Bi5 O12 N12 C66 H48)+3, 3(Cl O4)-, 4(N C2 H3)' _chemical_formula_sum 'C74 H60 Bi5 Cl3 N16 O24' _chemical_formula_weight 2708.63 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Trigonal _symmetry_space_group_name_H-M ' R 3 c ' _symmetry_space_group_name_Hall ' R 3 -2"c ' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-y, -x, z+1/2' '-x+y, y, z+1/2' 'x, x-y, z+1/2' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' '-y+2/3, -x+1/3, z+5/6' '-x+y+2/3, y+1/3, z+5/6' 'x+2/3, x-y+1/3, z+5/6' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' '-y+1/3, -x+2/3, z+7/6' '-x+y+1/3, y+2/3, z+7/6' 'x+1/3, x-y+2/3, z+7/6' _cell_length_a 20.306(3) _cell_length_b 20.306(3) _cell_length_c 34.684(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 12385(3) _cell_formula_units_Z 6 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 17111 _cell_measurement_theta_min 1.0 _cell_measurement_theta_max 27.5 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.179 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 7644 _exptl_absorpt_coefficient_mu 10.804 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.2941 _exptl_absorpt_correction_T_max 0.4113 _exptl_absorpt_process_details 'HKL Scalepack (Otwinowski & Minor, 1997)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(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 'Nonius KappaCCD' _diffrn_measurement_method 'CCD phi and omega scans' _diffrn_detector_area_resol_mean 9 _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 72433 _diffrn_reflns_av_R_equivalents 0.0588 _diffrn_reflns_av_sigmaI/netI 0.0364 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_l_min -45 _diffrn_reflns_limit_l_max 45 _diffrn_reflns_theta_min 3.12 _diffrn_reflns_theta_max 27.48 _reflns_number_total 6296 _reflns_number_gt 5646 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect Nonius BV, 1997-2000)' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor, 1997)' _computing_data_reduction 'HKL Denzo, Scalepack (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXTL 6.1 (Sheldrick, 2001)' _computing_structure_refinement 'SHELXTL 6.1 (Sheldrick, 2001)' _computing_molecular_graphics 'SHELXTL 6.1 (Sheldrick, 2001)' _computing_publication_material 'SHELXTL 6.1 (Sheldrick, 2001)' _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. Several low angle reflections were omitted due to beam-stop shadowing effects. ; _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^)+(0.0183P)^2^+14.0195P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.266(5) _refine_ls_number_reflns 6296 _refine_ls_number_parameters 368 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0336 _refine_ls_R_factor_gt 0.0248 _refine_ls_wR_factor_ref 0.0466 _refine_ls_wR_factor_gt 0.0440 _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_restrained_S_all 1.036 _refine_ls_shift/su_max 0.003 _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 Bi1 Bi -1.6667 -0.3333 -0.372627(10) 0.01663(8) Uani 1 3 d S . . Bi2 Bi -1.6667 -0.3333 -0.271047(9) 0.01717(7) Uani 1 3 d S . . Bi3 Bi -1.861215(10) -0.437992(9) -0.419285(6) 0.01753(5) Uani 1 1 d . . . O101 O -1.74309(17) -0.40499(18) -0.31890(11) 0.0179(7) Uani 1 1 d . . . O102 O -1.80845(19) -0.38151(18) -0.36428(10) 0.0178(7) Uani 1 1 d . . . O201 O -1.77205(18) -0.46577(19) -0.40797(10) 0.0200(8) Uani 1 1 d . . . O202 O -1.66317(18) -0.43274(18) -0.44195(11) 0.0208(8) Uani 1 1 d . . . N101 N -1.9194(2) -0.5313(3) -0.35767(15) 0.0239(11) Uani 1 1 d . . . N102 N -1.7987(2) -0.3405(2) -0.27031(14) 0.0227(10) Uani 1 1 d . . . N201 N -1.8304(2) -0.4933(2) -0.48022(14) 0.0209(10) Uani 1 1 d . . . N202 N -1.6759(2) -0.5618(2) -0.41215(14) 0.0213(10) Uani 1 1 d . . . C101 C -1.9668(3) -0.6066(3) -0.35886(19) 0.0303(15) Uani 1 1 d . . . H101 H -2.0026 -0.6269 -0.3793 0.036 Uiso 1 1 calc R . . C102 C -1.9662(3) -0.6559(3) -0.3320(2) 0.0344(15) Uani 1 1 d . . . H102 H -2.0000 -0.7092 -0.3340 0.041 Uiso 1 1 calc R . . C103 C -1.9149(3) -0.6258(3) -0.30192(19) 0.0360(15) Uani 1 1 d . . . H103 H -1.9133 -0.6581 -0.2826 0.043 Uiso 1 1 calc R . . C104 C -1.8656(3) -0.5474(3) -0.30029(19) 0.0317(14) Uani 1 1 d . . . H104 H -1.8297 -0.5254 -0.2800 0.038 Uiso 1 1 calc R . . C105 C -1.8701(3) -0.5027(3) -0.32882(16) 0.0213(12) Uani 1 1 d . . . C106 C -1.8146(3) -0.4161(3) -0.32877(15) 0.0191(11) Uani 1 1 d . . . C107 C -1.8426(3) -0.3775(3) -0.30051(16) 0.0193(11) Uani 1 1 d . . . C108 C -1.9118(3) -0.3795(3) -0.30707(16) 0.0238(12) Uani 1 1 d . . . H108 H -1.9440 -0.4087 -0.3277 0.029 Uiso 1 1 calc R . . C109 C -1.9325(3) -0.3386(3) -0.28326(19) 0.0344(15) Uani 1 1 d . . . H109 H -1.9780 -0.3373 -0.2879 0.041 Uiso 1 1 calc R . . C110 C -1.8862(3) -0.2993(3) -0.25251(17) 0.0304(14) Uani 1 1 d . . . H110 H -1.8993 -0.2707 -0.2357 0.036 Uiso 1 1 calc R . . C111 C -1.8207(3) -0.3023(3) -0.24655(17) 0.0270(13) Uani 1 1 d . . . H111 H -1.7897 -0.2765 -0.2249 0.032 Uiso 1 1 calc R . . C201 C -1.8589(3) -0.5024(3) -0.51611(17) 0.0283(13) Uani 1 1 d . . . H201 H -1.8967 -0.4889 -0.5210 0.034 Uiso 1 1 calc R . . C202 C -1.8356(3) -0.5305(3) -0.54590(18) 0.0303(13) Uani 1 1 d . . . H202 H -1.8557 -0.5350 -0.5711 0.036 Uiso 1 1 calc R . . C203 C -1.7816(3) -0.5523(4) -0.53829(18) 0.0340(14) Uani 1 1 d . . . H203 H -1.7661 -0.5742 -0.5580 0.041 Uiso 1 1 calc R . . C204 C -1.7516(3) -0.5417(3) -0.50206(18) 0.0318(15) Uani 1 1 d . . . H204 H -1.7137 -0.5546 -0.4966 0.038 Uiso 1 1 calc R . . C205 C -1.7767(3) -0.5118(3) -0.47317(17) 0.0225(13) Uani 1 1 d . . . C206 C -1.7376(3) -0.4912(3) -0.43363(16) 0.0194(11) Uani 1 1 d . . . C207 C -1.7409(3) -0.5620(3) -0.41636(15) 0.0200(11) Uani 1 1 d . . . C208 C -1.8108(3) -0.6230(3) -0.40518(18) 0.0296(13) Uani 1 1 d . . . H208 H -1.8564 -0.6214 -0.4085 0.035 Uiso 1 1 calc R . . C209 C -1.8121(3) -0.6855(3) -0.38916(19) 0.0370(15) Uani 1 1 d . . . H209 H -1.8591 -0.7284 -0.3818 0.044 Uiso 1 1 calc R . . C210 C -1.7447(3) -0.6856(3) -0.38388(18) 0.0349(15) Uani 1 1 d . . . H210 H -1.7443 -0.7277 -0.3723 0.042 Uiso 1 1 calc R . . C211 C -1.6792(3) -0.6239(3) -0.3957(2) 0.0340(15) Uani 1 1 d . . . H211 H -1.6329 -0.6242 -0.3923 0.041 Uiso 1 1 calc R . . Cl1 Cl -2.04289(8) -0.52788(8) -0.48128(4) 0.0287(3) Uani 1 1 d . . . O1 O -2.0465(2) -0.5532(3) -0.52002(13) 0.0436(11) Uani 1 1 d . . . O2 O -1.9779(2) -0.4523(2) -0.47799(15) 0.0539(14) Uani 1 1 d . . . O3 O -2.1105(2) -0.5262(3) -0.47222(14) 0.0532(13) Uani 1 1 d . . . O4 O -2.0328(3) -0.5777(3) -0.45534(13) 0.0484(12) Uani 1 1 d . . . N901 N -1.6667 -0.3333 -0.5895(3) 0.132(8) Uani 1 3 d SD . . C901 C -1.6667 -0.3333 -0.5571(3) 0.055(4) Uani 1 3 d SD . . C902 C -1.6667 -0.3333 -0.5156(3) 0.033(2) Uani 1 3 d SD . . H901 H -1.7183 -0.3506 -0.5062 0.050 Uiso 1 1 calc R A -1 N902 N -2.2409(3) -0.6798(3) -0.5388(2) 0.0453(15) Uani 1 1 d D . . C903 C -2.2375(4) -0.7002(4) -0.5089(2) 0.0389(16) Uani 1 1 d D . . C904 C -2.2313(5) -0.7270(5) -0.4710(2) 0.075(3) Uani 1 1 d D . . H904 H -2.2473 -0.7032 -0.4514 0.112 Uiso 1 1 calc R . . H905 H -2.1784 -0.7135 -0.4663 0.112 Uiso 1 1 calc R . . H906 H -2.2641 -0.7824 -0.4698 0.112 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Bi1 0.01622(11) 0.01622(11) 0.01746(18) 0.000 0.000 0.00811(5) Bi2 0.01783(10) 0.01783(10) 0.01583(17) 0.000 0.000 0.00892(5) Bi3 0.01440(10) 0.01652(10) 0.02087(10) -0.00272(14) -0.00264(8) 0.00713(9) O101 0.0151(17) 0.0209(18) 0.020(2) 0.0012(15) 0.0030(15) 0.0105(14) O102 0.0167(17) 0.0155(17) 0.020(2) 0.0001(15) -0.0008(14) 0.0068(15) O201 0.0213(18) 0.0240(19) 0.020(2) -0.0050(15) -0.0028(15) 0.0153(16) O202 0.0140(17) 0.0161(18) 0.029(2) 0.0031(15) -0.0023(15) 0.0047(15) N101 0.018(2) 0.022(3) 0.027(3) -0.004(2) 0.001(2) 0.006(2) N102 0.022(2) 0.019(2) 0.026(3) 0.0000(19) 0.0039(19) 0.0096(19) N201 0.018(2) 0.022(2) 0.023(3) -0.0029(19) -0.007(2) 0.0101(19) N202 0.018(2) 0.014(2) 0.034(3) -0.001(2) 0.000(2) 0.0098(18) C101 0.022(3) 0.016(3) 0.040(4) -0.004(3) 0.000(3) -0.001(3) C102 0.027(3) 0.013(3) 0.047(4) 0.002(3) 0.008(3) -0.003(2) C103 0.042(4) 0.027(3) 0.037(4) 0.010(3) 0.009(3) 0.016(3) C104 0.026(3) 0.019(3) 0.043(4) 0.005(3) -0.002(3) 0.007(2) C105 0.019(3) 0.021(3) 0.022(3) -0.002(2) 0.008(2) 0.008(2) C106 0.014(3) 0.018(3) 0.020(3) 0.001(2) 0.004(2) 0.004(2) C107 0.019(3) 0.013(2) 0.023(3) 0.000(2) 0.004(2) 0.005(2) C108 0.014(3) 0.028(3) 0.031(4) -0.001(2) -0.002(2) 0.012(2) C109 0.023(3) 0.045(4) 0.042(4) 0.003(3) 0.005(3) 0.022(3) C110 0.028(3) 0.030(3) 0.036(4) -0.008(3) 0.004(3) 0.017(3) C111 0.025(3) 0.026(3) 0.032(4) -0.006(2) 0.001(2) 0.014(2) C201 0.025(3) 0.028(3) 0.029(4) 0.004(3) -0.005(3) 0.011(3) C202 0.032(3) 0.032(3) 0.021(3) 0.000(3) -0.007(3) 0.011(3) C203 0.041(4) 0.032(3) 0.027(3) -0.007(3) 0.000(3) 0.017(3) C204 0.036(3) 0.034(3) 0.027(4) -0.010(3) -0.002(3) 0.019(3) C205 0.024(3) 0.015(3) 0.019(3) -0.002(2) -0.002(2) 0.002(2) C206 0.019(3) 0.017(3) 0.022(3) 0.002(2) 0.001(2) 0.009(2) C207 0.019(3) 0.019(3) 0.022(3) -0.003(2) 0.000(2) 0.009(2) C208 0.026(3) 0.023(3) 0.039(4) 0.000(3) 0.005(3) 0.012(2) C209 0.033(3) 0.025(3) 0.050(5) 0.004(3) 0.005(3) 0.012(3) C210 0.046(4) 0.017(3) 0.043(4) -0.001(3) -0.003(3) 0.017(3) C211 0.032(3) 0.022(3) 0.052(5) -0.005(3) -0.006(3) 0.017(3) Cl1 0.0297(8) 0.0288(7) 0.0314(8) -0.0058(6) -0.0093(6) 0.0175(6) O1 0.043(3) 0.056(3) 0.040(3) -0.013(2) -0.012(2) 0.031(2) O2 0.048(3) 0.027(2) 0.088(4) -0.024(2) -0.038(3) 0.019(2) O3 0.044(3) 0.074(3) 0.057(4) -0.011(3) -0.001(2) 0.041(3) O4 0.062(3) 0.052(3) 0.044(3) 0.015(2) 0.002(2) 0.038(2) N901 0.187(14) 0.187(14) 0.023(8) 0.000 0.000 0.093(7) C901 0.057(5) 0.057(5) 0.049(9) 0.000 0.000 0.029(3) C902 0.033(3) 0.033(3) 0.034(7) 0.000 0.000 0.0165(17) N902 0.045(3) 0.033(3) 0.056(4) -0.005(3) -0.021(3) 0.018(3) C903 0.029(3) 0.030(4) 0.056(5) -0.011(3) -0.009(3) 0.013(3) C904 0.093(7) 0.058(5) 0.047(6) 0.015(4) 0.018(5) 0.019(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 Bi1 O101 2.396(3) 2_365 ? Bi1 O101 2.396(3) 3_235 ? Bi1 O101 2.396(3) . ? Bi1 O102 2.552(3) 2_365 ? Bi1 O102 2.552(3) . ? Bi1 O102 2.552(3) 3_235 ? Bi1 O201 2.749(3) . ? Bi1 O201 2.749(3) 2_365 ? Bi1 O201 2.749(3) 3_235 ? Bi1 Bi2 3.5232(6) . ? Bi2 O101 2.241(3) . ? Bi2 O101 2.241(3) 2_365 ? Bi2 O101 2.241(3) 3_235 ? Bi2 N102 2.612(4) 2_365 ? Bi2 N102 2.612(4) 3_235 ? Bi2 N102 2.612(4) . ? Bi3 O202 2.116(3) 3_235 ? Bi3 O201 2.184(3) . ? Bi3 O102 2.208(4) . ? Bi3 N202 2.612(4) 3_235 ? Bi3 N201 2.612(5) . ? Bi3 N101 2.704(5) . ? O101 C106 1.395(6) . ? O102 C106 1.393(6) . ? O201 C206 1.382(6) . ? O202 C206 1.407(6) . ? O202 Bi3 2.116(3) 2_365 ? N101 C105 1.327(7) . ? N101 C101 1.340(7) . ? N102 C107 1.336(7) . ? N102 C111 1.351(6) . ? N201 C205 1.340(7) . ? N201 C201 1.346(7) . ? N202 C207 1.326(6) . ? N202 C211 1.355(7) . ? N202 Bi3 2.612(4) 2_365 ? C101 C102 1.372(8) . ? C101 H101 0.9500 . ? C102 C103 1.383(9) . ? C102 H102 0.9500 . ? C103 C104 1.394(8) . ? C103 H103 0.9500 . ? C104 C105 1.377(8) . ? C104 H104 0.9500 . ? C105 C106 1.541(7) . ? C106 C107 1.531(7) . ? C107 C108 1.406(7) . ? C108 C109 1.378(8) . ? C108 H108 0.9500 . ? C109 C110 1.381(8) . ? C109 H109 0.9500 . ? C110 C111 1.377(7) . ? C110 H110 0.9500 . ? C111 H111 0.9500 . ? C201 C202 1.375(8) . ? C201 H201 0.9500 . ? C202 C203 1.396(8) . ? C202 H202 0.9500 . ? C203 C204 1.366(8) . ? C203 H203 0.9500 . ? C204 C205 1.393(8) . ? C204 H204 0.9500 . ? C205 C206 1.535(8) . ? C206 C207 1.527(7) . ? C207 C208 1.394(7) . ? C208 C209 1.374(8) . ? C208 H208 0.9500 . ? C209 C210 1.382(8) . ? C209 H209 0.9500 . ? C210 C211 1.357(8) . ? C210 H210 0.9500 . ? C211 H211 0.9500 . ? Cl1 O3 1.425(4) . ? Cl1 O1 1.427(5) . ? Cl1 O4 1.442(4) . ? Cl1 O2 1.443(4) . ? N901 C901 1.124(10) . ? C901 C902 1.439(11) . ? C902 H901 0.9800 . ? N902 C903 1.130(8) . ? C903 C904 1.452(10) . ? C904 H904 0.9800 . ? C904 H905 0.9800 . ? C904 H906 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O101 Bi1 O101 65.96(13) 2_365 3_235 ? O101 Bi1 O101 65.95(13) 2_365 . ? O101 Bi1 O101 65.96(13) 3_235 . ? O101 Bi1 O102 54.20(11) 2_365 2_365 ? O101 Bi1 O102 119.21(11) 3_235 2_365 ? O101 Bi1 O102 80.37(11) . 2_365 ? O101 Bi1 O102 119.20(11) 2_365 . ? O101 Bi1 O102 80.36(11) 3_235 . ? O101 Bi1 O102 54.20(11) . . ? O102 Bi1 O102 118.73(3) 2_365 . ? O101 Bi1 O102 80.37(11) 2_365 3_235 ? O101 Bi1 O102 54.20(11) 3_235 3_235 ? O101 Bi1 O102 119.20(11) . 3_235 ? O102 Bi1 O102 118.74(3) 2_365 3_235 ? O102 Bi1 O102 118.73(3) . 3_235 ? O101 Bi1 O201 119.91(10) 2_365 . ? O101 Bi1 O201 137.73(10) 3_235 . ? O101 Bi1 O201 78.56(11) . . ? O102 Bi1 O201 73.90(10) 2_365 . ? O102 Bi1 O201 59.90(10) . . ? O102 Bi1 O201 158.49(11) 3_235 . ? O101 Bi1 O201 78.56(11) 2_365 2_365 ? O101 Bi1 O201 119.91(11) 3_235 2_365 ? O101 Bi1 O201 137.73(10) . 2_365 ? O102 Bi1 O201 59.90(10) 2_365 2_365 ? O102 Bi1 O201 158.50(11) . 2_365 ? O102 Bi1 O201 73.91(10) 3_235 2_365 ? O201 Bi1 O201 101.65(9) . 2_365 ? O101 Bi1 O201 137.73(10) 2_365 3_235 ? O101 Bi1 O201 78.56(11) 3_235 3_235 ? O101 Bi1 O201 119.91(10) . 3_235 ? O102 Bi1 O201 158.50(11) 2_365 3_235 ? O102 Bi1 O201 73.91(10) . 3_235 ? O102 Bi1 O201 59.89(10) 3_235 3_235 ? O201 Bi1 O201 101.65(9) . 3_235 ? O201 Bi1 O201 101.65(9) 2_365 3_235 ? O101 Bi1 Bi2 38.94(8) 2_365 . ? O101 Bi1 Bi2 38.94(8) 3_235 . ? O101 Bi1 Bi2 38.94(8) . . ? O102 Bi1 Bi2 83.49(8) 2_365 . ? O102 Bi1 Bi2 83.49(8) . . ? O102 Bi1 Bi2 83.49(8) 3_235 . ? O201 Bi1 Bi2 116.48(7) . . ? O201 Bi1 Bi2 116.48(7) 2_365 . ? O201 Bi1 Bi2 116.48(7) 3_235 . ? O101 Bi2 O101 71.17(13) . 2_365 ? O101 Bi2 O101 71.17(13) . 3_235 ? O101 Bi2 O101 71.17(13) 2_365 3_235 ? O101 Bi2 N102 74.56(13) . 2_365 ? O101 Bi2 N102 67.21(13) 2_365 2_365 ? O101 Bi2 N102 132.50(14) 3_235 2_365 ? O101 Bi2 N102 132.50(14) . 3_235 ? O101 Bi2 N102 74.56(13) 2_365 3_235 ? O101 Bi2 N102 67.21(13) 3_235 3_235 ? N102 Bi2 N102 119.991(4) 2_365 3_235 ? O101 Bi2 N102 67.21(13) . . ? O101 Bi2 N102 132.49(14) 2_365 . ? O101 Bi2 N102 74.55(13) 3_235 . ? N102 Bi2 N102 119.990(5) 2_365 . ? N102 Bi2 N102 119.990(4) 3_235 . ? O101 Bi2 Bi1 42.22(8) . . ? O101 Bi2 Bi1 42.21(8) 2_365 . ? O101 Bi2 Bi1 42.22(8) 3_235 . ? N102 Bi2 Bi1 90.57(10) 2_365 . ? N102 Bi2 Bi1 90.57(10) 3_235 . ? N102 Bi2 Bi1 90.56(10) . . ? O202 Bi3 O201 82.95(12) 3_235 . ? O202 Bi3 O102 81.60(13) 3_235 . ? O201 Bi3 O102 74.29(12) . . ? O202 Bi3 N202 68.92(12) 3_235 3_235 ? O201 Bi3 N202 139.67(13) . 3_235 ? O102 Bi3 N202 73.50(13) . 3_235 ? O202 Bi3 N201 80.40(14) 3_235 . ? O201 Bi3 N201 68.08(13) . . ? O102 Bi3 N201 139.83(13) . . ? N202 Bi3 N201 130.59(15) 3_235 . ? O202 Bi3 N101 146.90(14) 3_235 . ? O201 Bi3 N101 78.78(13) . . ? O102 Bi3 N101 67.02(13) . . ? N202 Bi3 N101 109.60(14) 3_235 . ? N201 Bi3 N101 116.94(12) . . ? C106 O101 Bi2 127.8(3) . . ? C106 O101 Bi1 102.3(3) . . ? Bi2 O101 Bi1 98.84(11) . . ? C106 O102 Bi3 127.2(3) . . ? C106 O102 Bi1 95.3(3) . . ? Bi3 O102 Bi1 105.22(13) . . ? C206 O201 Bi3 128.4(3) . . ? C206 O201 Bi1 111.1(3) . . ? Bi3 O201 Bi1 99.66(12) . . ? C206 O202 Bi3 125.8(3) . 2_365 ? C105 N101 C101 118.5(5) . . ? C105 N101 Bi3 108.6(3) . . ? C101 N101 Bi3 126.0(4) . . ? C107 N102 C111 118.9(4) . . ? C107 N102 Bi2 113.6(3) . . ? C111 N102 Bi2 126.7(4) . . ? C205 N201 C201 119.0(5) . . ? C205 N201 Bi3 112.1(4) . . ? C201 N201 Bi3 128.9(4) . . ? C207 N202 C211 117.3(4) . . ? C207 N202 Bi3 109.7(3) . 2_365 ? C211 N202 Bi3 130.3(3) . 2_365 ? N101 C101 C102 123.3(6) . . ? N101 C101 H101 118.3 . . ? C102 C101 H101 118.3 . . ? C101 C102 C103 117.9(5) . . ? C101 C102 H102 121.0 . . ? C103 C102 H102 121.0 . . ? C102 C103 C104 119.2(6) . . ? C102 C103 H103 120.4 . . ? C104 C103 H103 120.4 . . ? C105 C104 C103 118.5(6) . . ? C105 C104 H104 120.8 . . ? C103 C104 H104 120.8 . . ? N101 C105 C104 122.5(5) . . ? N101 C105 C106 117.5(5) . . ? C104 C105 C106 120.0(5) . . ? O102 C106 O101 108.2(4) . . ? O102 C106 C107 105.7(4) . . ? O101 C106 C107 112.5(4) . . ? O102 C106 C105 113.8(4) . . ? O101 C106 C105 107.1(4) . . ? C107 C106 C105 109.7(4) . . ? N102 C107 C108 121.2(5) . . ? N102 C107 C106 118.4(4) . . ? C108 C107 C106 120.3(5) . . ? C109 C108 C107 119.2(5) . . ? C109 C108 H108 120.4 . . ? C107 C108 H108 120.4 . . ? C108 C109 C110 119.1(5) . . ? C108 C109 H109 120.5 . . ? C110 C109 H109 120.5 . . ? C111 C110 C109 119.0(5) . . ? C111 C110 H110 120.5 . . ? C109 C110 H110 120.5 . . ? N102 C111 C110 122.5(5) . . ? N102 C111 H111 118.8 . . ? C110 C111 H111 118.8 . . ? N201 C201 C202 122.5(5) . . ? N201 C201 H201 118.7 . . ? C202 C201 H201 118.7 . . ? C201 C202 C203 118.6(5) . . ? C201 C202 H202 120.7 . . ? C203 C202 H202 120.7 . . ? C204 C203 C202 118.8(6) . . ? C204 C203 H203 120.6 . . ? C202 C203 H203 120.6 . . ? C203 C204 C205 120.0(6) . . ? C203 C204 H204 120.0 . . ? C205 C204 H204 120.0 . . ? N201 C205 C204 121.1(6) . . ? N201 C205 C206 118.0(5) . . ? C204 C205 C206 120.6(5) . . ? O201 C206 O202 110.4(4) . . ? O201 C206 C207 107.8(4) . . ? O202 C206 C207 113.4(4) . . ? O201 C206 C205 112.8(4) . . ? O202 C206 C205 103.8(4) . . ? C207 C206 C205 108.7(4) . . ? N202 C207 C208 122.8(5) . . ? N202 C207 C206 117.7(4) . . ? C208 C207 C206 119.5(4) . . ? C209 C208 C207 118.3(5) . . ? C209 C208 H208 120.8 . . ? C207 C208 H208 120.8 . . ? C208 C209 C210 119.6(6) . . ? C208 C209 H209 120.2 . . ? C210 C209 H209 120.2 . . ? C211 C210 C209 118.2(5) . . ? C211 C210 H210 120.9 . . ? C209 C210 H210 120.9 . . ? N202 C211 C210 123.7(5) . . ? N202 C211 H211 118.1 . . ? C210 C211 H211 118.1 . . ? O3 Cl1 O1 109.8(3) . . ? O3 Cl1 O4 110.8(3) . . ? O1 Cl1 O4 109.6(3) . . ? O3 Cl1 O2 109.7(3) . . ? O1 Cl1 O2 108.2(3) . . ? O4 Cl1 O2 108.8(3) . . ? N901 C901 C902 180.0 . . ? C901 C902 H901 109.5 . . ? N902 C903 C904 178.2(9) . . ? C903 C904 H904 109.5 . . ? C903 C904 H905 109.5 . . ? H904 C904 H905 109.5 . . ? C903 C904 H906 109.5 . . ? H904 C904 H906 109.5 . . ? H905 C904 H906 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O101 Bi1 Bi2 O101 -120.0 2_365 . . . ? O101 Bi1 Bi2 O101 120.0 3_235 . . . ? O102 Bi1 Bi2 O101 -82.71(14) 2_365 . . . ? O102 Bi1 Bi2 O101 37.29(14) . . . . ? O102 Bi1 Bi2 O101 157.29(14) 3_235 . . . ? O201 Bi1 Bi2 O101 -14.34(14) . . . . ? O201 Bi1 Bi2 O101 -134.34(14) 2_365 . . . ? O201 Bi1 Bi2 O101 105.66(14) 3_235 . . . ? O101 Bi1 Bi2 O101 -120.0 3_235 . . 2_365 ? O101 Bi1 Bi2 O101 120.0 . . . 2_365 ? O102 Bi1 Bi2 O101 37.29(14) 2_365 . . 2_365 ? O102 Bi1 Bi2 O101 157.29(14) . . . 2_365 ? O102 Bi1 Bi2 O101 -82.71(14) 3_235 . . 2_365 ? O201 Bi1 Bi2 O101 105.66(14) . . . 2_365 ? O201 Bi1 Bi2 O101 -14.34(14) 2_365 . . 2_365 ? O201 Bi1 Bi2 O101 -134.34(14) 3_235 . . 2_365 ? O101 Bi1 Bi2 O101 120.0 2_365 . . 3_235 ? O101 Bi1 Bi2 O101 -120.0 . . . 3_235 ? O102 Bi1 Bi2 O101 157.29(14) 2_365 . . 3_235 ? O102 Bi1 Bi2 O101 -82.71(14) . . . 3_235 ? O102 Bi1 Bi2 O101 37.29(14) 3_235 . . 3_235 ? O201 Bi1 Bi2 O101 -134.34(14) . . . 3_235 ? O201 Bi1 Bi2 O101 105.66(14) 2_365 . . 3_235 ? O201 Bi1 Bi2 O101 -14.34(14) 3_235 . . 3_235 ? O101 Bi1 Bi2 N102 -54.03(15) 2_365 . . 2_365 ? O101 Bi1 Bi2 N102 -174.03(15) 3_235 . . 2_365 ? O101 Bi1 Bi2 N102 65.97(15) . . . 2_365 ? O102 Bi1 Bi2 N102 -16.74(11) 2_365 . . 2_365 ? O102 Bi1 Bi2 N102 103.26(11) . . . 2_365 ? O102 Bi1 Bi2 N102 -136.74(11) 3_235 . . 2_365 ? O201 Bi1 Bi2 N102 51.63(11) . . . 2_365 ? O201 Bi1 Bi2 N102 -68.37(11) 2_365 . . 2_365 ? O201 Bi1 Bi2 N102 171.63(11) 3_235 . . 2_365 ? O101 Bi1 Bi2 N102 65.97(15) 2_365 . . 3_235 ? O101 Bi1 Bi2 N102 -54.03(15) 3_235 . . 3_235 ? O101 Bi1 Bi2 N102 -174.03(15) . . . 3_235 ? O102 Bi1 Bi2 N102 103.26(11) 2_365 . . 3_235 ? O102 Bi1 Bi2 N102 -136.74(11) . . . 3_235 ? O102 Bi1 Bi2 N102 -16.74(11) 3_235 . . 3_235 ? O201 Bi1 Bi2 N102 171.63(11) . . . 3_235 ? O201 Bi1 Bi2 N102 51.63(11) 2_365 . . 3_235 ? O201 Bi1 Bi2 N102 -68.37(11) 3_235 . . 3_235 ? O101 Bi1 Bi2 N102 -174.03(15) 2_365 . . . ? O101 Bi1 Bi2 N102 65.97(15) 3_235 . . . ? O101 Bi1 Bi2 N102 -54.03(15) . . . . ? O102 Bi1 Bi2 N102 -136.74(11) 2_365 . . . ? O102 Bi1 Bi2 N102 -16.74(11) . . . . ? O102 Bi1 Bi2 N102 103.26(11) 3_235 . . . ? O201 Bi1 Bi2 N102 -68.37(11) . . . . ? O201 Bi1 Bi2 N102 171.63(11) 2_365 . . . ? O201 Bi1 Bi2 N102 51.63(11) 3_235 . . . ? O101 Bi2 O101 C106 -151.1(4) 2_365 . . . ? O101 Bi2 O101 C106 -75.3(4) 3_235 . . . ? N102 Bi2 O101 C106 138.1(4) 2_365 . . . ? N102 Bi2 O101 C106 -105.1(4) 3_235 . . . ? N102 Bi2 O101 C106 5.4(3) . . . . ? Bi1 Bi2 O101 C106 -113.2(4) . . . . ? O101 Bi2 O101 Bi1 -37.94(4) 2_365 . . . ? O101 Bi2 O101 Bi1 37.94(4) 3_235 . . . ? N102 Bi2 O101 Bi1 -108.65(14) 2_365 . . . ? N102 Bi2 O101 Bi1 8.1(2) 3_235 . . . ? N102 Bi2 O101 Bi1 118.62(15) . . . . ? O101 Bi1 O101 C106 168.6(3) 2_365 . . . ? O101 Bi1 O101 C106 95.4(3) 3_235 . . . ? O102 Bi1 O101 C106 -136.4(3) 2_365 . . . ? O102 Bi1 O101 C106 -0.1(2) . . . . ? O102 Bi1 O101 C106 106.0(3) 3_235 . . . ? O201 Bi1 O101 C106 -61.0(3) . . . . ? O201 Bi1 O101 C106 -155.8(2) 2_365 . . . ? O201 Bi1 O101 C106 35.9(3) 3_235 . . . ? Bi2 Bi1 O101 C106 132.0(3) . . . . ? O101 Bi1 O101 Bi2 36.59(3) 2_365 . . . ? O101 Bi1 O101 Bi2 -36.59(3) 3_235 . . . ? O102 Bi1 O101 Bi2 91.56(12) 2_365 . . . ? O102 Bi1 O101 Bi2 -132.08(16) . . . . ? O102 Bi1 O101 Bi2 -26.07(16) 3_235 . . . ? O201 Bi1 O101 Bi2 166.93(13) . . . . ? O201 Bi1 O101 Bi2 72.13(18) 2_365 . . . ? O201 Bi1 O101 Bi2 -96.11(13) 3_235 . . . ? O202 Bi3 O102 C106 -156.0(4) 3_235 . . . ? O201 Bi3 O102 C106 -71.0(3) . . . . ? N202 Bi3 O102 C106 133.6(4) 3_235 . . . ? N201 Bi3 O102 C106 -91.9(4) . . . . ? N101 Bi3 O102 C106 13.2(3) . . . . ? O202 Bi3 O102 Bi1 -46.93(13) 3_235 . . . ? O201 Bi3 O102 Bi1 38.06(12) . . . . ? N202 Bi3 O102 Bi1 -117.33(14) 3_235 . . . ? N201 Bi3 O102 Bi1 17.2(2) . . . . ? N101 Bi3 O102 Bi1 122.30(15) . . . . ? O101 Bi1 O102 C106 -11.8(3) 2_365 . . . ? O101 Bi1 O102 C106 -67.2(3) 3_235 . . . ? O101 Bi1 O102 C106 0.1(2) . . . . ? O102 Bi1 O102 C106 50.9(3) 2_365 . . . ? O102 Bi1 O102 C106 -106.8(2) 3_235 . . . ? O201 Bi1 O102 C106 97.8(3) . . . . ? O201 Bi1 O102 C106 131.2(3) 2_365 . . . ? O201 Bi1 O102 C106 -147.9(3) 3_235 . . . ? Bi2 Bi1 O102 C106 -27.9(2) . . . . ? O101 Bi1 O102 Bi3 -142.67(12) 2_365 . . . ? O101 Bi1 O102 Bi3 161.96(14) 3_235 . . . ? O101 Bi1 O102 Bi3 -130.81(17) . . . . ? O102 Bi1 O102 Bi3 -79.9(2) 2_365 . . . ? O102 Bi1 O102 Bi3 122.29(14) 3_235 . . . ? O201 Bi1 O102 Bi3 -33.02(11) . . . . ? O201 Bi1 O102 Bi3 0.4(3) 2_365 . . . ? O201 Bi1 O102 Bi3 81.19(13) 3_235 . . . ? Bi2 Bi1 O102 Bi3 -158.81(11) . . . . ? O202 Bi3 O201 C206 -77.8(4) 3_235 . . . ? O102 Bi3 O201 C206 -161.0(4) . . . . ? N202 Bi3 O201 C206 -122.9(4) 3_235 . . . ? N201 Bi3 O201 C206 4.7(4) . . . . ? N101 Bi3 O201 C206 130.0(4) . . . . ? O202 Bi3 O201 Bi1 49.15(13) 3_235 . . . ? O102 Bi3 O201 Bi1 -34.06(12) . . . . ? N202 Bi3 O201 Bi1 4.0(3) 3_235 . . . ? N201 Bi3 O201 Bi1 131.60(15) . . . . ? N101 Bi3 O201 Bi1 -103.11(14) . . . . ? O101 Bi1 O201 C206 -81.1(3) 2_365 . . . ? O101 Bi1 O201 C206 -167.3(3) 3_235 . . . ? O101 Bi1 O201 C206 -134.5(3) . . . . ? O102 Bi1 O201 C206 -51.4(3) 2_365 . . . ? O102 Bi1 O201 C206 170.4(3) . . . . ? O102 Bi1 O201 C206 77.9(4) 3_235 . . . ? O201 Bi1 O201 C206 2.3(3) 2_365 . . . ? O201 Bi1 O201 C206 106.9(3) 3_235 . . . ? Bi2 Bi1 O201 C206 -125.4(3) . . . . ? O101 Bi1 O201 Bi3 141.11(12) 2_365 . . . ? O101 Bi1 O201 Bi3 54.9(2) 3_235 . . . ? O101 Bi1 O201 Bi3 87.69(13) . . . . ? O102 Bi1 O201 Bi3 170.84(15) 2_365 . . . ? O102 Bi1 O201 Bi3 32.62(12) . . . . ? O102 Bi1 O201 Bi3 -59.9(3) 3_235 . . . ? O201 Bi1 O201 Bi3 -135.50(4) 2_365 . . . ? O201 Bi1 O201 Bi3 -30.85(18) 3_235 . . . ? Bi2 Bi1 O201 Bi3 96.83(11) . . . . ? O202 Bi3 N101 C105 -0.5(5) 3_235 . . . ? O201 Bi3 N101 C105 57.3(3) . . . . ? O102 Bi3 N101 C105 -20.2(3) . . . . ? N202 Bi3 N101 C105 -81.7(4) 3_235 . . . ? N201 Bi3 N101 C105 115.4(4) . . . . ? O202 Bi3 N101 C101 -150.7(4) 3_235 . . . ? O201 Bi3 N101 C101 -92.9(5) . . . . ? O102 Bi3 N101 C101 -170.4(5) . . . . ? N202 Bi3 N101 C101 128.1(4) 3_235 . . . ? N201 Bi3 N101 C101 -34.7(5) . . . . ? O101 Bi2 N102 C107 -5.4(3) . . . . ? O101 Bi2 N102 C107 25.3(4) 2_365 . . . ? O101 Bi2 N102 C107 70.3(3) 3_235 . . . ? N102 Bi2 N102 C107 -60.3(4) 2_365 . . . ? N102 Bi2 N102 C107 121.7(3) 3_235 . . . ? Bi1 Bi2 N102 C107 30.7(3) . . . . ? O101 Bi2 N102 C111 -175.0(5) . . . . ? O101 Bi2 N102 C111 -144.3(4) 2_365 . . . ? O101 Bi2 N102 C111 -99.3(4) 3_235 . . . ? N102 Bi2 N102 C111 130.1(4) 2_365 . . . ? N102 Bi2 N102 C111 -47.9(5) 3_235 . . . ? Bi1 Bi2 N102 C111 -138.9(4) . . . . ? O202 Bi3 N201 C205 87.4(4) 3_235 . . . ? O201 Bi3 N201 C205 1.2(3) . . . . ? O102 Bi3 N201 C205 22.9(4) . . . . ? N202 Bi3 N201 C205 138.7(3) 3_235 . . . ? N101 Bi3 N201 C205 -62.7(4) . . . . ? O202 Bi3 N201 C201 -90.3(4) 3_235 . . . ? O201 Bi3 N201 C201 -176.5(5) . . . . ? O102 Bi3 N201 C201 -154.8(4) . . . . ? N202 Bi3 N201 C201 -39.0(5) 3_235 . . . ? N101 Bi3 N201 C201 119.6(4) . . . . ? C105 N101 C101 C102 -1.0(9) . . . . ? Bi3 N101 C101 C102 146.6(5) . . . . ? N101 C101 C102 C103 1.2(9) . . . . ? C101 C102 C103 C104 -0.9(9) . . . . ? C102 C103 C104 C105 0.3(9) . . . . ? C101 N101 C105 C104 0.3(8) . . . . ? Bi3 N101 C105 C104 -152.5(4) . . . . ? C101 N101 C105 C106 178.2(5) . . . . ? Bi3 N101 C105 C106 25.4(5) . . . . ? C103 C104 C105 N101 0.0(9) . . . . ? C103 C104 C105 C106 -177.8(5) . . . . ? Bi3 O102 C106 O101 113.6(3) . . . . ? Bi1 O102 C106 O101 -0.1(4) . . . . ? Bi3 O102 C106 C107 -125.7(3) . . . . ? Bi1 O102 C106 C107 120.6(3) . . . . ? Bi3 O102 C106 C105 -5.3(6) . . . . ? Bi1 O102 C106 C105 -119.0(4) . . . . ? Bi2 O101 C106 O102 111.7(4) . . . . ? Bi1 O101 C106 O102 0.1(4) . . . . ? Bi2 O101 C106 C107 -4.6(6) . . . . ? Bi1 O101 C106 C107 -116.2(3) . . . . ? Bi2 O101 C106 C105 -125.2(4) . . . . ? Bi1 O101 C106 C105 123.2(3) . . . . ? N101 C105 C106 O102 -17.2(6) . . . . ? C104 C105 C106 O102 160.8(5) . . . . ? N101 C105 C106 O101 -136.7(5) . . . . ? C104 C105 C106 O101 41.3(6) . . . . ? N101 C105 C106 C107 101.0(5) . . . . ? C104 C105 C106 C107 -81.1(6) . . . . ? C111 N102 C107 C108 -2.3(7) . . . . ? Bi2 N102 C107 C108 -172.8(4) . . . . ? C111 N102 C107 C106 175.9(4) . . . . ? Bi2 N102 C107 C106 5.4(5) . . . . ? O102 C106 C107 N102 -119.3(5) . . . . ? O101 C106 C107 N102 -1.5(6) . . . . ? C105 C106 C107 N102 117.6(5) . . . . ? O102 C106 C107 C108 58.9(6) . . . . ? O101 C106 C107 C108 176.7(4) . . . . ? C105 C106 C107 C108 -64.2(6) . . . . ? N102 C107 C108 C109 4.1(8) . . . . ? C106 C107 C108 C109 -174.1(5) . . . . ? C107 C108 C109 C110 -2.8(8) . . . . ? C108 C109 C110 C111 0.0(9) . . . . ? C107 N102 C111 C110 -0.7(8) . . . . ? Bi2 N102 C111 C110 168.4(4) . . . . ? C109 C110 C111 N102 1.9(9) . . . . ? C205 N201 C201 C202 0.5(8) . . . . ? Bi3 N201 C201 C202 178.0(4) . . . . ? N201 C201 C202 C203 1.8(9) . . . . ? C201 C202 C203 C204 -3.0(9) . . . . ? C202 C203 C204 C205 2.0(9) . . . . ? C201 N201 C205 C204 -1.5(8) . . . . ? Bi3 N201 C205 C204 -179.5(4) . . . . ? C201 N201 C205 C206 172.1(5) . . . . ? Bi3 N201 C205 C206 -5.9(6) . . . . ? C203 C204 C205 N201 0.2(9) . . . . ? C203 C204 C205 C206 -173.2(5) . . . . ? Bi3 O201 C206 O202 106.5(4) . . . . ? Bi1 O201 C206 O202 -15.9(5) . . . . ? Bi3 O201 C206 C207 -129.1(4) . . . . ? Bi1 O201 C206 C207 108.5(3) . . . . ? Bi3 O201 C206 C205 -9.1(6) . . . . ? Bi1 O201 C206 C205 -131.4(4) . . . . ? Bi3 O202 C206 O201 103.1(4) 2_365 . . . ? Bi3 O202 C206 C207 -18.0(6) 2_365 . . . ? Bi3 O202 C206 C205 -135.8(4) 2_365 . . . ? N201 C205 C206 O201 9.3(7) . . . . ? C204 C205 C206 O201 -177.1(5) . . . . ? N201 C205 C206 O202 -110.1(5) . . . . ? C204 C205 C206 O202 63.5(6) . . . . ? N201 C205 C206 C207 128.9(5) . . . . ? C204 C205 C206 C207 -57.5(6) . . . . ? C211 N202 C207 C208 -0.9(8) . . . . ? Bi3 N202 C207 C208 -164.2(4) 2_365 . . . ? C211 N202 C207 C206 178.0(5) . . . . ? Bi3 N202 C207 C206 14.7(6) 2_365 . . . ? O201 C206 C207 N202 -124.3(5) . . . . ? O202 C206 C207 N202 -1.7(7) . . . . ? C205 C206 C207 N202 113.1(5) . . . . ? O201 C206 C207 C208 54.6(6) . . . . ? O202 C206 C207 C208 177.2(5) . . . . ? C205 C206 C207 C208 -67.9(6) . . . . ? N202 C207 C208 C209 -0.1(9) . . . . ? C206 C207 C208 C209 -179.0(5) . . . . ? C207 C208 C209 C210 1.3(9) . . . . ? C208 C209 C210 C211 -1.6(10) . . . . ? C207 N202 C211 C210 0.7(9) . . . . ? Bi3 N202 C211 C210 159.9(5) 2_365 . . . ? C209 C210 C211 N202 0.5(10) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.688 _refine_diff_density_min -1.073 _refine_diff_density_rms 0.119