# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2007


data_global

_journal_coden_Cambridge         182

loop_
_publ_author_name
'Hongzhe Sun'
'Bo-Jian Zheng'
'Jian-Dong Huang'
'Julian A. Tanner'
'Zai Wang'
'Nan Yang'

_publ_contact_author_name        'Hongzhe Sun'
_publ_contact_author_address     
;
Department of Chemistry
University of Hong Kong
Pokfulam Road
Hong Kong
N/A
CHINA
;

_publ_contact_author_email       HSUN@HKUCC.HKU.HK

_publ_requested_journal          'Chemical Communications'

_publ_section_title              
;
Inhibition of SARS coronavirus helicase by bismuth
complexes
;

data_mar1177a
_database_code_depnum_ccdc_archive 'CCDC 654367'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C56 H56 Bi N5 O17'
_chemical_formula_sum            'C56 H56 Bi N5 O17'
_chemical_formula_weight         1280.04

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'
Bi Bi -4.1077 10.2566 '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'

_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                   7.7150(15)
_cell_length_b                   13.208(3)
_cell_length_c                   14.116(3)
_cell_angle_alpha                92.43(3)
_cell_angle_beta                 100.95(3)
_cell_angle_gamma                92.84(3)
_cell_volume                     1408.5(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0

_exptl_crystal_description       prism
_exptl_crystal_colour            'dark green'
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             646
_exptl_absorpt_coefficient_mu    3.204
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      253(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3791
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_sigmaI/netI    0.1548
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.47
_diffrn_reflns_theta_max         24.65
_reflns_number_total             2648
_reflns_number_gt                1629
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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^)+(0.1420P)^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         2648
_refine_ls_number_parameters     332
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.0765
_refine_ls_wR_factor_ref         0.2509
_refine_ls_wR_factor_gt          0.2175
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.079
_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 -0.101(2) 0.9998(11) 0.7787(10) 0.029(4) Uani 1 1 d . . .
C2 C -0.079(2) 1.0605(11) 0.7002(11) 0.036(5) Uani 1 1 d . . .
H2 H -0.1166 1.0421 0.6349 0.043 Uiso 1 1 calc R . .
C3 C 0.007(2) 1.1495(11) 0.7371(10) 0.034(4) Uani 1 1 d . . .
H3 H 0.0417 1.2021 0.7016 0.040 Uiso 1 1 calc R . .
C4 C 0.036(2) 1.1486(10) 0.8386(11) 0.038(5) Uani 1 1 d . . .
C5 C 0.123(2) 1.2259(10) 0.9046(10) 0.030(4) Uani 1 1 d . . .
C6 C 0.158(2) 1.2200(11) 1.0079(11) 0.033(4) Uani 1 1 d . . .
C7 C 0.239(2) 1.3007(10) 1.0731(10) 0.039(5) Uani 1 1 d . . .
H7 H 0.2739 1.3654 1.0578 0.046 Uiso 1 1 calc R . .
C8 C 0.255(2) 1.2645(10) 1.1622(11) 0.035(5) Uani 1 1 d . . .
H8 H 0.3038 1.3009 1.2196 0.042 Uiso 1 1 calc R . .
C9 C 0.184(2) 1.1616(11) 1.1549(10) 0.032(4) Uani 1 1 d . . .
C10 C 0.171(2) 1.0977(10) 1.2294(9) 0.025(4) Uani 1 1 d . . .
C11 C 0.1990(16) 1.3179(6) 0.8660(7) 0.036(5) Uani 1 1 d G . .
C12 C 0.0868(12) 1.3762(8) 0.8044(7) 0.035(5) Uani 1 1 d G . .
H12 H -0.0345 1.3604 0.7917 0.042 Uiso 1 1 calc R . .
C13 C 0.1559(15) 1.4579(7) 0.7618(6) 0.039(5) Uani 1 1 d G . .
C14 C 0.3372(16) 1.4815(6) 0.7808(7) 0.042(5) Uani 1 1 d G . .
C15 C 0.4494(12) 1.4233(8) 0.8424(8) 0.035(4) Uani 1 1 d G . .
C16 C 0.3803(15) 1.3415(7) 0.8850(6) 0.034(5) Uani 1 1 d G . .
H16 H 0.4553 1.3026 0.9262 0.041 Uiso 1 1 calc R . .
C17 C -0.126(3) 1.5127(13) 0.6927(13) 0.062(6) Uani 1 1 d . . .
H17A H -0.1795 1.5605 0.6483 0.094 Uiso 1 1 calc R . .
H17B H -0.1555 1.5265 0.7549 0.094 Uiso 1 1 calc R . .
H17C H -0.1693 1.4451 0.6693 0.094 Uiso 1 1 calc R . .
C18 C 0.412(2) 1.5414(13) 0.6395(12) 0.059(6) Uani 1 1 d . . .
H18A H 0.4650 1.5997 0.6153 0.088 Uiso 1 1 calc R . .
H18B H 0.2920 1.5293 0.6050 0.088 Uiso 1 1 calc R . .
H18C H 0.4774 1.4832 0.6305 0.088 Uiso 1 1 calc R . .
C19 C 0.727(3) 1.4149(15) 0.9386(15) 0.072(7) Uani 1 1 d . . .
H19A H 0.8473 1.4408 0.9440 0.108 Uiso 1 1 calc R . .
H19B H 0.7220 1.3421 0.9320 0.108 Uiso 1 1 calc R . .
H19C H 0.6844 1.4357 0.9955 0.108 Uiso 1 1 calc R . .
C20 C 0.2669(14) 1.1380(7) 1.3288(5) 0.034(5) Uani 1 1 d G . .
C21 C 0.1878(11) 1.2044(7) 1.3843(7) 0.031(4) Uani 1 1 d G . .
H21 H 0.0719 1.2213 1.3624 0.037 Uiso 1 1 calc R . .
C22 C 0.2819(15) 1.2456(6) 1.4724(6) 0.030(4) Uani 1 1 d G . .
C23 C 0.4550(15) 1.2204(7) 1.5051(5) 0.032(4) Uani 1 1 d G . .
C24 C 0.5342(11) 1.1540(7) 1.4496(7) 0.028(4) Uani 1 1 d G . .
C25 C 0.4401(14) 1.1128(6) 1.3615(6) 0.034(5) Uani 1 1 d G . .
H25 H 0.4931 1.0684 1.3243 0.040 Uiso 1 1 calc R . .
C26 C 0.042(3) 1.3279(12) 1.5109(12) 0.056(6) Uani 1 1 d . . .
H26A H 0.0155 1.3758 1.5585 0.084 Uiso 1 1 calc R . .
H26B H -0.0255 1.2652 1.5122 0.084 Uiso 1 1 calc R . .
H26C H 0.0124 1.3546 1.4481 0.084 Uiso 1 1 calc R . .
C27 C 0.522(3) 1.2208(14) 1.6719(11) 0.071(7) Uani 1 1 d . . .
H27A H 0.5946 1.2567 1.7270 0.106 Uiso 1 1 calc R . .
H27B H 0.5510 1.1510 1.6704 0.106 Uiso 1 1 calc R . .
H27C H 0.3997 1.2246 1.6761 0.106 Uiso 1 1 calc R . .
C28 C 0.777(2) 1.0633(15) 1.4315(14) 0.068(6) Uani 1 1 d . . .
H28A H 0.8961 1.0542 1.4636 0.103 Uiso 1 1 calc R . .
H28B H 0.7778 1.0875 1.3684 0.103 Uiso 1 1 calc R . .
H28C H 0.7091 0.9997 1.4256 0.103 Uiso 1 1 calc R . .
Bi1 Bi 0.1600(2) 0.97079(10) 0.99074(10) 0.0489(7) Uani 0.50 1 d P . .
N1 N -0.0296(18) 1.0564(9) 0.8613(8) 0.039(4) Uani 1 1 d . . .
N2 N 0.1212(19) 1.1392(8) 1.0580(8) 0.044(4) Uani 1 1 d . . .
O1 O 0.0545(18) 1.5213(8) 0.7007(8) 0.041(3) Uani 1 1 d . . .
O2 O 0.4120(16) 1.5594(8) 0.7389(8) 0.052(3) Uani 1 1 d . . .
O3 O 0.6239(16) 1.4521(8) 0.8589(8) 0.047(3) Uani 1 1 d . . .
O4 O 0.2166(18) 1.3113(9) 1.5308(8) 0.049(3) Uani 1 1 d . . .
O5 O 0.5522(15) 1.2653(8) 1.5862(8) 0.049(3) Uani 1 1 d . . .
O6 O 0.7014(17) 1.1341(8) 1.4853(8) 0.048(3) Uani 1 1 d . . .
O7 O 0.5177(16) 0.9577(10) 1.1192(8) 0.062(4) Uani 1 1 d . . .
N3 N 0.246(4) 0.782(2) 0.815(2) 0.177(10) Uiso 0.50 1 d PD . .
O8 O 0.221(6) 0.754(3) 0.736(2) 0.177(10) Uiso 0.50 1 d PD . .
O9 O 0.259(6) 0.869(2) 0.833(3) 0.177(10) Uiso 0.50 1 d PD . .
O10 O 0.253(6) 0.730(3) 0.875(2) 0.177(10) Uiso 0.50 1 d PD . .

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 0.030(12) 0.029(9) 0.023(9) 0.002(7) -0.007(8) -0.003(8)
C2 0.049(14) 0.037(10) 0.020(9) -0.005(8) 0.005(8) 0.003(9)
C3 0.051(13) 0.028(9) 0.022(10) 0.006(7) 0.005(8) 0.006(9)
C4 0.059(14) 0.017(9) 0.036(11) 0.001(7) 0.005(9) -0.004(8)
C5 0.034(12) 0.025(9) 0.031(10) -0.005(7) 0.007(8) -0.003(8)
C6 0.039(13) 0.028(9) 0.028(10) -0.008(8) 0.004(8) -0.004(8)
C7 0.077(15) 0.018(8) 0.019(10) -0.007(7) 0.013(9) -0.016(8)
C8 0.053(14) 0.024(9) 0.028(10) -0.017(7) 0.013(9) -0.013(8)
C9 0.042(12) 0.038(10) 0.010(9) -0.008(7) -0.001(8) -0.004(8)
C10 0.033(12) 0.032(9) 0.005(8) -0.004(7) -0.010(7) -0.005(8)
C11 0.078(17) 0.014(8) 0.015(9) 0.005(7) 0.008(9) 0.000(10)
C12 0.038(13) 0.032(10) 0.037(10) -0.005(8) 0.019(9) -0.019(9)
C13 0.056(16) 0.024(10) 0.034(11) -0.014(8) 0.006(10) -0.006(10)
C14 0.080(18) 0.022(9) 0.025(10) -0.003(8) 0.014(11) -0.002(11)
C15 0.035(14) 0.042(11) 0.028(10) -0.004(8) 0.004(9) 0.007(10)
C16 0.039(15) 0.027(9) 0.036(10) -0.001(8) 0.008(9) -0.008(9)
C17 0.08(2) 0.056(13) 0.065(14) 0.029(10) 0.030(13) 0.041(12)
C18 0.064(16) 0.067(13) 0.050(13) 0.028(10) 0.022(11) -0.016(11)
C19 0.073(18) 0.068(14) 0.076(16) -0.022(12) 0.028(14) -0.015(13)
C20 0.062(15) 0.018(8) 0.020(9) -0.002(7) 0.010(10) -0.009(9)
C21 0.033(12) 0.031(9) 0.030(10) 0.000(8) 0.004(9) 0.002(8)
C22 0.051(14) 0.023(9) 0.017(9) -0.005(7) 0.007(9) 0.005(9)
C23 0.051(15) 0.026(9) 0.014(9) -0.007(7) -0.002(9) -0.003(9)
C24 0.014(13) 0.032(9) 0.032(11) 0.007(8) -0.011(9) -0.001(8)
C25 0.053(15) 0.031(9) 0.014(9) -0.006(7) -0.002(9) 0.011(9)
C26 0.09(2) 0.042(11) 0.044(12) -0.005(9) 0.023(12) 0.011(11)
C27 0.096(19) 0.092(15) 0.013(10) -0.026(10) -0.012(11) 0.008(13)
C28 0.035(15) 0.102(17) 0.061(14) 0.010(13) -0.009(11) 0.005(12)
Bi1 0.0746(15) 0.0353(8) 0.0339(9) -0.0028(6) 0.0069(7) -0.0059(7)
N1 0.068(12) 0.029(8) 0.012(7) 0.004(6) -0.009(7) -0.016(7)
N2 0.084(13) 0.018(7) 0.023(8) 0.005(6) 0.000(7) -0.023(7)
O1 0.036(10) 0.037(7) 0.051(8) 0.014(6) 0.013(7) 0.006(6)
O2 0.072(10) 0.036(7) 0.048(8) 0.007(6) 0.017(7) -0.017(6)
O3 0.037(10) 0.065(8) 0.035(7) 0.007(6) -0.003(6) -0.008(7)
O4 0.037(10) 0.062(8) 0.040(8) -0.019(6) -0.009(6) 0.020(7)
O5 0.055(9) 0.054(7) 0.029(7) -0.007(6) -0.011(6) 0.003(6)
O6 0.046(10) 0.065(8) 0.032(7) -0.019(6) 0.004(7) 0.019(7)
O7 0.052(10) 0.097(10) 0.053(8) 0.034(7) 0.033(7) 0.039(8)

_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 C10 1.364(18) 2_577 ?
C1 N1 1.365(17) . ?
C1 C2 1.427(19) . ?
C2 C3 1.354(19) . ?
C3 C4 1.41(2) . ?
C4 N1 1.368(17) . ?
C4 C5 1.407(19) . ?
C5 C6 1.44(2) . ?
C5 C11 1.491(15) . ?
C6 N2 1.353(18) . ?
C6 C7 1.416(19) . ?
C7 C8 1.350(19) . ?
C8 C9 1.431(19) . ?
C9 N2 1.377(17) . ?
C9 C10 1.390(19) . ?
C10 C1 1.364(18) 2_577 ?
C10 C20 1.516(14) . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C12 C13 1.3900 . ?
C13 O1 1.388(13) . ?
C13 C14 1.3900 . ?
C14 O2 1.365(12) . ?
C14 C15 1.3900 . ?
C15 O3 1.355(14) . ?
C15 C16 1.3900 . ?
C17 O1 1.37(2) . ?
C18 O2 1.413(18) . ?
C19 O3 1.37(2) . ?
C20 C21 1.3900 . ?
C20 C25 1.3900 . ?
C21 C22 1.3900 . ?
C22 O4 1.351(13) . ?
C22 C23 1.3900 . ?
C23 O5 1.340(11) . ?
C23 C24 1.3900 . ?
C24 O6 1.336(14) . ?
C24 C25 1.3900 . ?
C26 O4 1.35(2) . ?
C27 O5 1.421(19) . ?
C28 O6 1.40(2) . ?
Bi1 N2 2.435(12) . ?
Bi1 N1 2.466(12) . ?
Bi1 N2 2.515(13) 2_577 ?
Bi1 N1 2.516(12) 2_577 ?
Bi1 Bi1 2.678(3) 2_577 ?
N1 Bi1 2.516(12) 2_577 ?
N2 Bi1 2.515(13) 2_577 ?
N3 O10 1.11(2) . ?
N3 O8 1.14(2) . ?
N3 O9 1.15(2) . ?

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
C10 C1 N1 127.8(13) 2_577 . ?
C10 C1 C2 125.6(13) 2_577 . ?
N1 C1 C2 106.4(12) . . ?
C3 C2 C1 108.2(13) . . ?
C2 C3 C4 108.1(13) . . ?
N1 C4 C5 126.2(14) . . ?
N1 C4 C3 107.4(12) . . ?
C5 C4 C3 126.4(14) . . ?
C4 C5 C6 124.8(13) . . ?
C4 C5 C11 118.4(12) . . ?
C6 C5 C11 116.6(11) . . ?
N2 C6 C7 109.5(13) . . ?
N2 C6 C5 126.7(12) . . ?
C7 C6 C5 123.8(14) . . ?
C8 C7 C6 105.9(13) . . ?
C7 C8 C9 109.8(13) . . ?
N2 C9 C10 126.1(13) . . ?
N2 C9 C8 105.7(12) . . ?
C10 C9 C8 128.1(13) . . ?
C1 C10 C9 127.3(12) 2_577 . ?
C1 C10 C20 117.2(11) 2_577 . ?
C9 C10 C20 115.0(11) . . ?
C12 C11 C16 120.0 . . ?
C12 C11 C5 118.9(10) . . ?
C16 C11 C5 120.9(10) . . ?
C11 C12 C13 120.0 . . ?
O1 C13 C14 115.8(10) . . ?
O1 C13 C12 124.2(9) . . ?
C14 C13 C12 120.0 . . ?
O2 C14 C13 122.3(10) . . ?
O2 C14 C15 117.7(10) . . ?
C13 C14 C15 120.0 . . ?
O3 C15 C16 123.4(9) . . ?
O3 C15 C14 116.6(9) . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C11 120.0 . . ?
C21 C20 C25 120.0 . . ?
C21 C20 C10 120.9(9) . . ?
C25 C20 C10 119.0(9) . . ?
C20 C21 C22 120.0 . . ?
O4 C22 C23 115.8(10) . . ?
O4 C22 C21 124.2(10) . . ?
C23 C22 C21 120.0 . . ?
O5 C23 C22 120.8(9) . . ?
O5 C23 C24 119.0(9) . . ?
C22 C23 C24 120.0 . . ?
O6 C24 C25 123.4(8) . . ?
O6 C24 C23 116.6(8) . . ?
C25 C24 C23 120.0 . . ?
C24 C25 C20 120.0 . . ?
N2 Bi1 N1 73.7(4) . . ?
N2 Bi1 N2 114.5(3) . 2_577 ?
N1 Bi1 N2 73.3(4) . 2_577 ?
N2 Bi1 N1 73.8(4) . 2_577 ?
N1 Bi1 N1 115.0(3) . 2_577 ?
N2 Bi1 N1 71.5(4) 2_577 2_577 ?
N2 Bi1 Bi1 58.7(3) . 2_577 ?
N1 Bi1 Bi1 58.4(3) . 2_577 ?
N2 Bi1 Bi1 55.8(3) 2_577 2_577 ?
N1 Bi1 Bi1 56.6(3) 2_577 2_577 ?
C1 N1 C4 109.9(11) . . ?
C1 N1 Bi1 117.4(9) . . ?
C4 N1 Bi1 116.0(10) . . ?
C1 N1 Bi1 118.0(10) . 2_577 ?
C4 N1 Bi1 123.9(9) . 2_577 ?
Bi1 N1 Bi1 65.0(3) . 2_577 ?
C6 N2 C9 109.0(12) . . ?
C6 N2 Bi1 117.8(10) . . ?
C9 N2 Bi1 118.8(10) . . ?
C6 N2 Bi1 122.1(10) . 2_577 ?
C9 N2 Bi1 118.2(10) . 2_577 ?
Bi1 N2 Bi1 65.5(3) . 2_577 ?
C17 O1 C13 118.2(12) . . ?
C14 O2 C18 114.5(11) . . ?
C15 O3 C19 116.5(13) . . ?
C22 O4 C26 119.1(12) . . ?
C23 O5 C27 113.7(12) . . ?
C24 O6 C28 116.2(12) . . ?
O10 N3 O8 122(2) . . ?
O10 N3 O9 119.6(19) . . ?
O8 N3 O9 118.3(19) . . ?

_diffrn_measured_fraction_theta_max 0.556
_diffrn_reflns_theta_full        24.65
_diffrn_measured_fraction_theta_full 0.556
_refine_diff_density_max         0.922
_refine_diff_density_min         -0.980
_refine_diff_density_rms         0.192