# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H16 Bi2 Cd N4 O18, H2 O'
_chemical_formula_sum            'C28 H18 Bi2 Cd N4 O19'
_chemical_formula_weight         1244.82

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'
Cd Cd -0.8075 1.2024 '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           Orthorhombic
_symmetry_space_group_name_H-M   Pbca
_symmetry_space_group_name_Hall  '-P 2ac 2ab'


loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   14.4058(13)
_cell_length_b                   20.5848(18)
_cell_length_c                   21.7051(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6436.4(10)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9983
_cell_measurement_theta_min      1.88
_cell_measurement_theta_max      27.60

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4640
_exptl_absorpt_coefficient_mu    11.660
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.12
_exptl_absorpt_correction_T_max  0.20
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II area-detector diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            52156
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         27.60
_reflns_number_total             7430
_reflns_number_gt                5458
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'APEXII (Bruker, 2006)'
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2002)'
_computing_publication_material  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^)+(0.0207P)^2^+1.4414P] 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         7430
_refine_ls_number_parameters     493
_refine_ls_number_restraints     3
_refine_ls_R_factor_ref          0.0543
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0649
_refine_ls_wR_factor_gt          0.0583
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_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 0.752029(14) -0.028318(8) 0.390385(9) 0.02319(6) Uani 1 1 d . . .
Bi2 Bi 0.530066(14) 0.105181(8) 0.500881(9) 0.02068(6) Uani 1 1 d . . .
Cd Cd 0.72691(3) 0.202386(19) 0.32946(2) 0.03587(11) Uani 1 1 d . . .
C1 C 0.9679(4) -0.0237(3) 0.3820(3) 0.0361(15) Uani 1 1 d . . .
C2 C 0.7364(4) 0.0925(2) 0.4929(2) 0.0249(12) Uani 1 1 d . . .
C3 C 0.9517(4) 0.0312(3) 0.4257(3) 0.0285(13) Uani 1 1 d . . .
C4 C 1.0208(4) 0.0708(3) 0.4499(3) 0.0366(15) Uani 1 1 d . . .
H4A H 1.0826 0.0640 0.4394 0.044 Uiso 1 1 calc R . .
C5 C 0.9973(5) 0.1195(3) 0.4889(3) 0.0423(16) Uani 1 1 d . . .
H5A H 1.0432 0.1460 0.5056 0.051 Uiso 1 1 calc R . .
C6 C 0.9052(4) 0.1299(3) 0.5039(3) 0.0372(14) Uani 1 1 d . . .
H6A H 0.8883 0.1638 0.5299 0.045 Uiso 1 1 calc R . .
C7 C 0.8389(4) 0.0889(2) 0.4796(2) 0.0271(12) Uani 1 1 d . . .
C8 C 0.7452(4) -0.1534(2) 0.2919(3) 0.0284(13) Uani 1 1 d . . .
C9 C 0.7316(4) 0.0773(2) 0.2780(3) 0.0260(12) Uani 1 1 d . . .
C10 C 0.7371(4) 0.0151(2) 0.2422(2) 0.0263(12) Uani 1 1 d . . .
C11 C 0.7422(4) 0.0137(3) 0.1780(2) 0.0320(13) Uani 1 1 d . . .
H11A H 0.7418 0.0519 0.1551 0.038 Uiso 1 1 calc R . .
C12 C 0.7479(4) -0.0456(3) 0.1501(3) 0.0400(16) Uani 1 1 d . . .
H12A H 0.7521 -0.0484 0.1074 0.048 Uiso 1 1 calc R . .
C13 C 0.7473(4) -0.1016(3) 0.1858(3) 0.0321(14) Uani 1 1 d . . .
H13A H 0.7497 -0.1422 0.1670 0.038 Uiso 1 1 calc R . .
C14 C 0.7434(4) -0.0970(2) 0.2487(2) 0.0250(12) Uani 1 1 d . . .
C15 C 0.5419(4) 0.1945(2) 0.3724(3) 0.0293(13) Uani 1 1 d . . .
C16 C 0.3036(4) 0.1129(2) 0.5037(2) 0.0257(12) Uani 1 1 d . . .
C17 C 0.3223(4) 0.1524(2) 0.4469(2) 0.0211(11) Uani 1 1 d . . .
C18 C 0.2543(4) 0.1798(2) 0.4110(2) 0.0305(13) Uani 1 1 d . . .
H18A H 0.1919 0.1751 0.4211 0.037 Uiso 1 1 calc R . .
C19 C 0.2812(4) 0.2148(2) 0.3592(2) 0.0304(13) Uani 1 1 d . . .
H19A H 0.2368 0.2340 0.3340 0.036 Uiso 1 1 calc R . .
C20 C 0.3739(4) 0.2208(2) 0.3455(3) 0.0348(14) Uani 1 1 d . . .
H20A H 0.3926 0.2439 0.3109 0.042 Uiso 1 1 calc R . .
C21 C 0.4391(4) 0.1923(2) 0.3836(2) 0.0243(12) Uani 1 1 d . . .
C22 C 0.5142(4) -0.0043(2) 0.6211(3) 0.0302(13) Uani 1 1 d . . .
C23 C 0.5329(4) 0.2265(2) 0.5910(3) 0.0284(13) Uani 1 1 d . . .
C24 C 0.5162(4) 0.0615(2) 0.6529(2) 0.0244(12) Uani 1 1 d . . .
C25 C 0.5094(4) 0.0691(3) 0.7151(3) 0.0324(14) Uani 1 1 d . . .
H25A H 0.5019 0.0332 0.7406 0.039 Uiso 1 1 calc R . .
C26 C 0.5137(4) 0.1308(3) 0.7397(3) 0.0381(15) Uani 1 1 d . . .
H26A H 0.5099 0.1369 0.7821 0.046 Uiso 1 1 calc R . .
C27 C 0.5238(4) 0.1835(3) 0.7008(3) 0.0329(14) Uani 1 1 d . . .
H27A H 0.5272 0.2254 0.7166 0.039 Uiso 1 1 calc R . .
C28 C 0.5288(4) 0.1726(2) 0.6381(2) 0.0239(12) Uani 1 1 d . . .
N1 N 0.8637(3) 0.04071(18) 0.44097(19) 0.0233(10) Uani 1 1 d . . .
N2 N 0.7392(3) -0.03860(17) 0.2761(2) 0.0216(10) Uani 1 1 d . . .
N3 N 0.4131(3) 0.15882(17) 0.43398(18) 0.0208(9) Uani 1 1 d . . .
N4 N 0.5262(3) 0.11259(18) 0.61459(19) 0.0219(10) Uani 1 1 d . . .
O1 O 0.8941(3) -0.05369(18) 0.36240(18) 0.0390(10) Uani 1 1 d . . .
OW1 O 0.8809(3) 0.1814(2) 0.3268(2) 0.0681(15) Uani 1 1 d . . .
HW1A H 0.9093 0.2082 0.3499 0.102 Uiso 1 1 d R . .
H1WB H 0.9012 0.1513 0.3029 0.102 Uiso 1 1 d R . .
OW2 O 0.7585(3) 0.24861(19) 0.4233(2) 0.0539(13) Uani 1 1 d . . .
HW2A H 0.7467 0.2314 0.4581 0.081 Uiso 1 1 d R . .
HW2B H 0.7838 0.2854 0.4288 0.081 Uiso 1 1 d R . .
O2 O 1.0459(3) -0.0390(2) 0.3683(2) 0.0611(14) Uani 1 1 d . . .
O3 O 0.7057(3) 0.13836(18) 0.52521(18) 0.0393(10) Uani 1 1 d . . .
OW3 O 0.9922(4) 0.0956(3) 0.2718(2) 0.0724(16) Uani 1 1 d D . .
HW3A H 1.044(3) 0.115(4) 0.270(3) 0.109 Uiso 1 1 d D . .
HW3B H 0.979(5) 0.084(4) 0.2354(16) 0.109 Uiso 1 1 d D . .
O4 O 0.6869(3) 0.04772(17) 0.47178(17) 0.0316(9) Uani 1 1 d . . .
O5 O 0.7383(3) -0.14167(16) 0.34877(18) 0.0393(11) Uani 1 1 d . . .
O6 O 0.7527(3) -0.20861(15) 0.2688(2) 0.0414(11) Uani 1 1 d . . .
O7 O 0.7425(3) 0.07446(15) 0.33570(16) 0.0302(9) Uani 1 1 d . . .
O8 O 0.7151(3) 0.12884(16) 0.25052(18) 0.0387(10) Uani 1 1 d . . .
O9 O 0.5949(3) 0.16884(16) 0.41121(16) 0.0311(9) Uani 1 1 d . . .
O10 O 0.5705(3) 0.22202(19) 0.32497(18) 0.0455(11) Uani 1 1 d . . .
O11 O 0.3727(2) 0.09480(15) 0.53579(16) 0.0270(9) Uani 1 1 d . . .
O12 O 0.2213(3) 0.09855(18) 0.51712(18) 0.0339(10) Uani 1 1 d . . .
O13 O 0.5274(3) -0.00450(15) 0.56340(17) 0.0304(9) Uani 1 1 d . . .
O14 O 0.4999(4) -0.05227(19) 0.6523(2) 0.0682(16) Uani 1 1 d . . .
O15 O 0.5276(3) 0.21065(16) 0.53432(17) 0.0313(9) Uani 1 1 d . . .
O16 O 0.5393(3) 0.28249(16) 0.61036(18) 0.0395(11) 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
Bi1 0.02191(12) 0.02335(9) 0.02432(11) 0.00282(8) 0.00329(10) -0.00122(9)
Bi2 0.01917(12) 0.01972(9) 0.02315(10) 0.00241(8) 0.00117(9) 0.00115(8)
Cd 0.0340(3) 0.0319(2) 0.0417(3) -0.00468(19) -0.0012(2) -0.00223(19)
C1 0.023(4) 0.052(4) 0.033(3) 0.006(3) 0.008(3) 0.004(3)
C2 0.020(3) 0.032(3) 0.022(3) 0.011(2) 0.000(3) 0.002(2)
C3 0.019(3) 0.037(3) 0.030(3) 0.013(2) 0.006(3) 0.003(3)
C4 0.014(3) 0.054(4) 0.041(4) 0.012(3) -0.002(3) -0.004(3)
C5 0.032(4) 0.043(3) 0.052(4) 0.002(3) -0.008(3) -0.008(3)
C6 0.032(4) 0.039(3) 0.041(4) -0.001(3) -0.004(3) -0.007(3)
C7 0.022(3) 0.033(3) 0.026(3) 0.001(2) -0.003(3) 0.001(3)
C8 0.021(3) 0.021(2) 0.043(4) -0.001(2) -0.007(3) -0.003(2)
C9 0.025(3) 0.023(2) 0.031(3) -0.001(2) 0.003(3) -0.004(2)
C10 0.026(3) 0.023(2) 0.029(3) 0.001(2) -0.004(3) 0.001(2)
C11 0.035(4) 0.034(3) 0.027(3) 0.000(2) -0.007(3) -0.001(3)
C12 0.049(4) 0.047(3) 0.025(3) -0.001(3) -0.005(3) -0.001(3)
C13 0.026(3) 0.033(3) 0.036(3) -0.013(2) -0.001(3) 0.004(3)
C14 0.023(3) 0.021(2) 0.031(3) -0.005(2) -0.007(3) 0.001(2)
C15 0.033(4) 0.025(3) 0.030(3) -0.002(2) 0.003(3) 0.000(3)
C16 0.022(3) 0.027(2) 0.028(3) 0.000(2) 0.002(3) 0.004(2)
C17 0.021(3) 0.018(2) 0.024(3) -0.001(2) 0.001(3) 0.001(2)
C18 0.028(3) 0.032(3) 0.032(3) 0.002(2) 0.000(3) 0.005(3)
C19 0.028(3) 0.037(3) 0.025(3) 0.009(2) -0.006(3) 0.005(3)
C20 0.042(4) 0.032(3) 0.031(3) 0.012(2) 0.001(3) 0.002(3)
C21 0.026(3) 0.022(2) 0.025(3) 0.003(2) 0.009(3) 0.001(2)
C22 0.032(4) 0.027(3) 0.031(3) 0.000(3) -0.006(3) -0.001(3)
C23 0.017(3) 0.027(3) 0.040(3) 0.000(2) 0.001(3) -0.001(2)
C24 0.022(3) 0.021(2) 0.031(3) 0.000(2) -0.002(3) -0.002(2)
C25 0.036(4) 0.034(3) 0.027(3) 0.003(2) -0.002(3) 0.005(3)
C26 0.044(4) 0.045(3) 0.026(3) -0.005(3) 0.005(3) 0.003(3)
C27 0.032(4) 0.029(3) 0.037(3) -0.009(2) -0.003(3) 0.008(3)
C28 0.016(3) 0.027(3) 0.029(3) 0.001(2) -0.001(3) 0.002(2)
N1 0.015(2) 0.030(2) 0.025(2) 0.0055(18) -0.001(2) 0.0013(19)
N2 0.021(3) 0.0186(18) 0.026(2) -0.0004(17) -0.001(2) -0.0015(18)
N3 0.018(3) 0.022(2) 0.023(2) 0.0009(17) 0.002(2) -0.0004(19)
N4 0.020(3) 0.022(2) 0.024(2) -0.0023(17) 0.001(2) 0.0001(19)
O1 0.023(2) 0.047(2) 0.047(3) -0.0095(19) 0.006(2) 0.0043(19)
OW1 0.033(3) 0.059(3) 0.112(4) -0.039(3) -0.009(3) 0.000(2)
OW2 0.082(4) 0.031(2) 0.049(3) 0.0025(19) -0.014(3) -0.018(2)
O2 0.024(3) 0.088(4) 0.071(4) -0.018(3) 0.016(3) 0.014(2)
O3 0.036(3) 0.042(2) 0.040(2) -0.0113(19) 0.006(2) 0.005(2)
OW3 0.072(4) 0.083(4) 0.063(4) -0.026(3) 0.007(3) 0.009(3)
O4 0.020(2) 0.034(2) 0.041(2) -0.0065(17) 0.005(2) 0.0010(17)
O5 0.059(3) 0.0254(18) 0.033(2) 0.0007(16) 0.008(2) -0.0020(19)
O6 0.055(3) 0.0169(16) 0.053(3) -0.0077(16) -0.013(2) 0.006(2)
O7 0.045(3) 0.0202(16) 0.025(2) -0.0038(15) 0.003(2) 0.0024(17)
O8 0.056(3) 0.0190(17) 0.041(2) 0.0050(16) -0.008(2) 0.0022(19)
O9 0.021(2) 0.035(2) 0.037(2) 0.0109(17) 0.0052(19) 0.0001(18)
O10 0.040(3) 0.058(3) 0.038(2) 0.020(2) 0.012(2) -0.005(2)
O11 0.014(2) 0.035(2) 0.032(2) 0.0137(16) 0.0019(18) -0.0008(16)
O12 0.014(2) 0.048(2) 0.039(2) 0.0172(18) 0.0022(19) -0.0022(18)
O13 0.044(3) 0.0223(17) 0.025(2) -0.0030(15) -0.0056(19) 0.0002(18)
O14 0.135(5) 0.027(2) 0.042(3) 0.006(2) 0.012(3) -0.019(3)
O15 0.037(3) 0.0255(18) 0.031(2) 0.0016(16) -0.0001(19) 0.0001(17)
O16 0.045(3) 0.0232(19) 0.050(3) -0.0085(17) 0.007(2) -0.0026(18)

_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 O1 2.198(4) . ?
Bi1 N1 2.411(4) . ?
Bi1 O7 2.430(3) . ?
Bi1 N2 2.495(4) . ?
Bi1 O12 2.504(4) 5_656 ?
Bi1 O5 2.510(3) . ?
Bi1 O4 2.540(4) . ?
Bi2 O15 2.289(3) . ?
Bi2 O11 2.400(3) . ?
Bi2 N4 2.473(4) . ?
Bi2 N3 2.483(4) . ?
Bi2 O9 2.525(3) . ?
Bi2 O4 2.627(4) . ?
Bi2 O13 2.632(3) 5_656 ?
Bi2 O13 2.634(3) . ?
Bi2 O3 2.674(4) . ?
Cd OW1 2.260(4) . ?
Cd O6 2.275(4) 8_765 ?
Cd O10 2.291(4) . ?
Cd O8 2.293(4) . ?
Cd OW2 2.294(4) . ?
Cd O7 2.646(3) . ?
C1 O2 1.204(7) . ?
C1 O1 1.301(7) . ?
C1 C3 1.494(8) . ?
C2 O4 1.253(6) . ?
C2 O3 1.256(6) . ?
C2 C7 1.506(8) . ?
C3 N1 1.325(6) . ?
C3 C4 1.389(8) . ?
C4 C5 1.355(8) . ?
C4 H4A 0.9300 . ?
C5 C6 1.383(9) . ?
C5 H5A 0.9300 . ?
C6 C7 1.380(8) . ?
C6 H6A 0.9300 . ?
C7 N1 1.346(6) . ?
C8 O6 1.247(6) . ?
C8 O5 1.262(6) . ?
C8 C14 1.493(7) . ?
C9 O8 1.241(6) . ?
C9 O7 1.263(6) . ?
C9 C10 1.500(7) . ?
C10 N2 1.328(6) . ?
C10 C11 1.396(7) . ?
C11 C12 1.365(7) . ?
C11 H11A 0.9300 . ?
C12 C13 1.389(8) . ?
C12 H12A 0.9300 . ?
C13 C14 1.370(7) . ?
C13 H13A 0.9300 . ?
C14 N2 1.342(6) . ?
C15 O10 1.245(6) . ?
C15 O9 1.254(6) . ?
C15 C21 1.501(8) . ?
C16 O12 1.256(7) . ?
C16 O11 1.271(6) . ?
C16 C17 1.502(7) . ?
C17 N3 1.344(6) . ?
C17 C18 1.373(7) . ?
C18 C19 1.390(7) . ?
C18 H18A 0.9300 . ?
C19 C20 1.373(8) . ?
C19 H19A 0.9300 . ?
C20 C21 1.382(7) . ?
C20 H20A 0.9300 . ?
C21 N3 1.347(6) . ?
C22 O14 1.215(6) . ?
C22 O13 1.267(6) . ?
C22 C24 1.520(7) . ?
C23 O16 1.231(6) . ?
C23 O15 1.274(6) . ?
C23 C28 1.510(7) . ?
C24 N4 1.348(6) . ?
C24 C25 1.364(7) . ?
C25 C26 1.379(8) . ?
C25 H25A 0.9300 . ?
C26 C27 1.382(8) . ?
C26 H26A 0.9300 . ?
C27 C28 1.381(7) . ?
C27 H27A 0.9300 . ?
C28 N4 1.338(6) . ?
OW1 HW1A 0.8496 . ?
OW1 H1WB 0.8593 . ?
OW2 HW2A 0.8511 . ?
OW2 HW2B 0.8496 . ?
OW3 HW3A 0.84(2) . ?
OW3 HW3B 0.85(2) . ?
O6 Cd 2.275(4) 8_755 ?
O12 Bi1 2.504(4) 5_656 ?
O13 Bi2 2.632(3) 5_656 ?

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
O1 Bi1 N1 69.19(14) . . ?
O1 Bi1 O7 97.16(13) . . ?
N1 Bi1 O7 75.35(12) . . ?
O1 Bi1 N2 76.95(14) . . ?
N1 Bi1 N2 123.51(13) . . ?
O7 Bi1 N2 65.43(11) . . ?
O1 Bi1 O12 86.66(14) . 5_656 ?
N1 Bi1 O12 82.70(13) . 5_656 ?
O7 Bi1 O12 154.58(12) . 5_656 ?
N2 Bi1 O12 139.39(12) . 5_656 ?
O1 Bi1 O5 75.69(13) . . ?
N1 Bi1 O5 139.86(13) . . ?
O7 Bi1 O5 128.99(12) . . ?
N2 Bi1 O5 63.75(12) . . ?
O12 Bi1 O5 76.34(12) 5_656 . ?
O1 Bi1 O4 133.07(13) . . ?
N1 Bi1 O4 64.32(13) . . ?
O7 Bi1 O4 77.43(11) . . ?
N2 Bi1 O4 135.72(12) . . ?
O12 Bi1 O4 81.65(12) 5_656 . ?
O5 Bi1 O4 142.57(12) . . ?
O15 Bi2 O11 88.25(12) . . ?
O15 Bi2 N4 67.97(13) . . ?
O11 Bi2 N4 70.67(13) . . ?
O15 Bi2 N3 75.70(13) . . ?
O11 Bi2 N3 65.37(12) . . ?
N4 Bi2 N3 122.73(13) . . ?
O15 Bi2 O9 76.00(12) . . ?
O11 Bi2 O9 129.70(12) . . ?
N4 Bi2 O9 138.20(12) . . ?
N3 Bi2 O9 64.49(12) . . ?
O15 Bi2 O4 121.12(12) . . ?
O11 Bi2 O4 148.01(11) . . ?
N4 Bi2 O4 106.69(13) . . ?
N3 Bi2 O4 130.02(12) . . ?
O9 Bi2 O4 74.36(11) . . ?
O15 Bi2 O13 155.48(12) . 5_656 ?
O11 Bi2 O13 78.46(12) . 5_656 ?
N4 Bi2 O13 124.78(12) . 5_656 ?
N3 Bi2 O13 80.02(11) . 5_656 ?
O9 Bi2 O13 96.68(11) . 5_656 ?
O4 Bi2 O13 77.79(11) . 5_656 ?
O15 Bi2 O13 130.48(12) . . ?
O11 Bi2 O13 75.36(11) . . ?
N4 Bi2 O13 62.52(11) . . ?
N3 Bi2 O13 132.25(12) . . ?
O9 Bi2 O13 147.90(11) . . ?
O4 Bi2 O13 75.55(12) . . ?
O13 Bi2 O13 66.02(13) 5_656 . ?
O15 Bi2 O3 73.15(12) . . ?
O11 Bi2 O3 148.70(12) . . ?
N4 Bi2 O3 78.97(13) . . ?
N3 Bi2 O3 130.10(12) . . ?
O9 Bi2 O3 70.72(12) . . ?
O4 Bi2 O3 49.36(11) . . ?
O13 Bi2 O3 127.13(11) 5_656 . ?
O13 Bi2 O3 97.52(12) . . ?
OW1 Cd O6 90.68(15) . 8_765 ?
OW1 Cd O10 176.00(16) . . ?
O6 Cd O10 87.74(14) 8_765 . ?
OW1 Cd O8 85.84(15) . . ?
O6 Cd O8 96.25(13) 8_765 . ?
O10 Cd O8 90.68(15) . . ?
OW1 Cd OW2 84.70(16) . . ?
O6 Cd OW2 98.87(14) 8_765 . ?
O10 Cd OW2 99.17(15) . . ?
O8 Cd OW2 162.23(14) . . ?
OW1 Cd O7 74.23(13) . . ?
O6 Cd O7 145.08(12) 8_765 . ?
O10 Cd O7 105.13(12) . . ?
O8 Cd O7 52.23(12) . . ?
OW2 Cd O7 110.53(12) . . ?
O2 C1 O1 123.8(6) . . ?
O2 C1 C3 120.0(6) . . ?
O1 C1 C3 116.1(5) . . ?
O4 C2 O3 123.8(5) . . ?
O4 C2 C7 116.8(5) . . ?
O3 C2 C7 119.3(5) . . ?
N1 C3 C4 120.2(5) . . ?
N1 C3 C1 114.8(5) . . ?
C4 C3 C1 124.9(5) . . ?
C5 C4 C3 119.5(6) . . ?
C5 C4 H4A 120.3 . . ?
C3 C4 H4A 120.3 . . ?
C4 C5 C6 120.0(6) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C7 C6 C5 118.7(6) . . ?
C7 C6 H6A 120.7 . . ?
C5 C6 H6A 120.7 . . ?
N1 C7 C6 120.3(5) . . ?
N1 C7 C2 114.6(5) . . ?
C6 C7 C2 125.0(5) . . ?
O6 C8 O5 125.1(5) . . ?
O6 C8 C14 117.3(5) . . ?
O5 C8 C14 117.7(4) . . ?
O8 C9 O7 122.7(5) . . ?
O8 C9 C10 119.4(5) . . ?
O7 C9 C10 117.9(4) . . ?
N2 C10 C11 122.4(5) . . ?
N2 C10 C9 115.1(5) . . ?
C11 C10 C9 122.5(5) . . ?
C12 C11 C10 117.7(5) . . ?
C12 C11 H11A 121.2 . . ?
C10 C11 H11A 121.2 . . ?
C11 C12 C13 119.7(5) . . ?
C11 C12 H12A 120.2 . . ?
C13 C12 H12A 120.2 . . ?
C14 C13 C12 119.8(5) . . ?
C14 C13 H13A 120.1 . . ?
C12 C13 H13A 120.1 . . ?
N2 C14 C13 120.5(5) . . ?
N2 C14 C8 114.7(4) . . ?
C13 C14 C8 124.8(5) . . ?
O10 C15 O9 123.1(5) . . ?
O10 C15 C21 118.3(5) . . ?
O9 C15 C21 118.6(5) . . ?
O12 C16 O11 122.9(5) . . ?
O12 C16 C17 119.2(5) . . ?
O11 C16 C17 118.0(5) . . ?
N3 C17 C18 122.5(5) . . ?
N3 C17 C16 113.5(5) . . ?
C18 C17 C16 124.0(5) . . ?
C17 C18 C19 118.1(5) . . ?
C17 C18 H18A 120.9 . . ?
C19 C18 H18A 120.9 . . ?
C20 C19 C18 119.6(5) . . ?
C20 C19 H19A 120.2 . . ?
C18 C19 H19A 120.2 . . ?
C19 C20 C21 119.6(5) . . ?
C19 C20 H20A 120.2 . . ?
C21 C20 H20A 120.2 . . ?
N3 C21 C20 120.9(5) . . ?
N3 C21 C15 114.9(5) . . ?
C20 C21 C15 124.2(5) . . ?
O14 C22 O13 125.0(5) . . ?
O14 C22 C24 118.3(5) . . ?
O13 C22 C24 116.6(5) . . ?
O16 C23 O15 125.0(5) . . ?
O16 C23 C28 117.3(5) . . ?
O15 C23 C28 117.7(4) . . ?
N4 C24 C25 121.9(5) . . ?
N4 C24 C22 114.7(5) . . ?
C25 C24 C22 123.4(5) . . ?
C24 C25 C26 119.1(5) . . ?
C24 C25 H25A 120.5 . . ?
C26 C25 H25A 120.5 . . ?
C25 C26 C27 119.4(5) . . ?
C25 C26 H26A 120.3 . . ?
C27 C26 H26A 120.3 . . ?
C28 C27 C26 118.7(5) . . ?
C28 C27 H27A 120.6 . . ?
C26 C27 H27A 120.6 . . ?
N4 C28 C27 121.6(5) . . ?
N4 C28 C23 114.8(4) . . ?
C27 C28 C23 123.5(5) . . ?
C3 N1 C7 121.2(5) . . ?
C3 N1 Bi1 115.9(3) . . ?
C7 N1 Bi1 122.7(4) . . ?
C10 N2 C14 120.0(4) . . ?
C10 N2 Bi1 118.8(3) . . ?
C14 N2 Bi1 120.9(3) . . ?
C17 N3 C21 119.4(4) . . ?
C17 N3 Bi2 119.7(3) . . ?
C21 N3 Bi2 120.9(3) . . ?
C28 N4 C24 119.3(4) . . ?
C28 N4 Bi2 115.9(3) . . ?
C24 N4 Bi2 124.7(3) . . ?
C1 O1 Bi1 123.9(4) . . ?
Cd OW1 HW1A 109.5 . . ?
Cd OW1 H1WB 119.2 . . ?
HW1A OW1 H1WB 131.3 . . ?
Cd OW2 HW2A 125.2 . . ?
Cd OW2 HW2B 125.4 . . ?
HW2A OW2 HW2B 109.4 . . ?
C2 O3 Bi2 91.8(3) . . ?
HW3A OW3 HW3B 106(3) . . ?
C2 O4 Bi1 119.8(3) . . ?
C2 O4 Bi2 94.0(3) . . ?
Bi1 O4 Bi2 139.68(16) . . ?
C8 O5 Bi1 121.6(3) . . ?
C8 O6 Cd 120.8(4) . 8_755 ?
C9 O7 Bi1 122.1(3) . . ?
C9 O7 Cd 83.9(3) . . ?
Bi1 O7 Cd 153.67(15) . . ?
C9 O8 Cd 101.0(3) . . ?
C15 O9 Bi2 120.8(3) . . ?
C15 O10 Cd 102.1(4) . . ?
C16 O11 Bi2 122.7(3) . . ?
C16 O12 Bi1 100.2(3) . 5_656 ?
C22 O13 Bi2 118.6(3) . 5_656 ?
C22 O13 Bi2 120.6(3) . . ?
Bi2 O13 Bi2 113.98(13) 5_656 . ?
C23 O15 Bi2 123.2(3) . . ?

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
O2 C1 C3 N1 -175.4(5) . . . . ?
O1 C1 C3 N1 2.6(7) . . . . ?
O2 C1 C3 C4 4.7(9) . . . . ?
O1 C1 C3 C4 -177.3(5) . . . . ?
N1 C3 C4 C5 -0.4(8) . . . . ?
C1 C3 C4 C5 179.5(5) . . . . ?
C3 C4 C5 C6 -0.6(9) . . . . ?
C4 C5 C6 C7 1.4(9) . . . . ?
C5 C6 C7 N1 -1.3(8) . . . . ?
C5 C6 C7 C2 178.1(5) . . . . ?
O4 C2 C7 N1 6.3(7) . . . . ?
O3 C2 C7 N1 -175.4(4) . . . . ?
O4 C2 C7 C6 -173.2(5) . . . . ?
O3 C2 C7 C6 5.1(8) . . . . ?
O8 C9 C10 N2 -169.1(5) . . . . ?
O7 C9 C10 N2 9.7(7) . . . . ?
O8 C9 C10 C11 12.7(8) . . . . ?
O7 C9 C10 C11 -168.6(5) . . . . ?
N2 C10 C11 C12 1.2(9) . . . . ?
C9 C10 C11 C12 179.3(5) . . . . ?
C10 C11 C12 C13 0.7(9) . . . . ?
C11 C12 C13 C14 -1.6(9) . . . . ?
C12 C13 C14 N2 0.6(9) . . . . ?
C12 C13 C14 C8 -178.1(5) . . . . ?
O6 C8 C14 N2 -177.4(5) . . . . ?
O5 C8 C14 N2 3.3(8) . . . . ?
O6 C8 C14 C13 1.4(8) . . . . ?
O5 C8 C14 C13 -177.9(6) . . . . ?
O12 C16 C17 N3 -173.4(4) . . . . ?
O11 C16 C17 N3 5.7(6) . . . . ?
O12 C16 C17 C18 6.7(7) . . . . ?
O11 C16 C17 C18 -174.2(5) . . . . ?
N3 C17 C18 C19 0.7(7) . . . . ?
C16 C17 C18 C19 -179.4(5) . . . . ?
C17 C18 C19 C20 0.1(8) . . . . ?
C18 C19 C20 C21 -0.3(8) . . . . ?
C19 C20 C21 N3 -0.1(8) . . . . ?
C19 C20 C21 C15 178.6(5) . . . . ?
O10 C15 C21 N3 176.7(4) . . . . ?
O9 C15 C21 N3 -3.7(7) . . . . ?
O10 C15 C21 C20 -2.1(8) . . . . ?
O9 C15 C21 C20 177.5(5) . . . . ?
O14 C22 C24 N4 -175.7(6) . . . . ?
O13 C22 C24 N4 4.1(7) . . . . ?
O14 C22 C24 C25 4.8(9) . . . . ?
O13 C22 C24 C25 -175.5(5) . . . . ?
N4 C24 C25 C26 -0.7(9) . . . . ?
C22 C24 C25 C26 178.8(5) . . . . ?
C24 C25 C26 C27 0.7(9) . . . . ?
C25 C26 C27 C28 0.3(9) . . . . ?
C26 C27 C28 N4 -1.5(9) . . . . ?
C26 C27 C28 C23 175.4(5) . . . . ?
O16 C23 C28 N4 -177.1(5) . . . . ?
O15 C23 C28 N4 4.3(7) . . . . ?
O16 C23 C28 C27 5.9(8) . . . . ?
O15 C23 C28 C27 -172.8(5) . . . . ?
C4 C3 N1 C7 0.5(8) . . . . ?
C1 C3 N1 C7 -179.4(5) . . . . ?
C4 C3 N1 Bi1 176.6(4) . . . . ?
C1 C3 N1 Bi1 -3.3(6) . . . . ?
C6 C7 N1 C3 0.4(8) . . . . ?
C2 C7 N1 C3 -179.1(4) . . . . ?
C6 C7 N1 Bi1 -175.4(4) . . . . ?
C2 C7 N1 Bi1 5.0(6) . . . . ?
O1 Bi1 N1 C3 2.3(3) . . . . ?
O7 Bi1 N1 C3 -101.4(4) . . . . ?
N2 Bi1 N1 C3 -54.9(4) . . . . ?
O12 Bi1 N1 C3 91.5(4) 5_656 . . . ?
O5 Bi1 N1 C3 32.9(4) . . . . ?
O4 Bi1 N1 C3 175.7(4) . . . . ?
O1 Bi1 N1 C7 178.4(4) . . . . ?
O7 Bi1 N1 C7 74.6(4) . . . . ?
N2 Bi1 N1 C7 121.1(4) . . . . ?
O12 Bi1 N1 C7 -92.4(4) 5_656 . . . ?
O5 Bi1 N1 C7 -151.0(3) . . . . ?
O4 Bi1 N1 C7 -8.2(4) . . . . ?
C11 C10 N2 C14 -2.2(8) . . . . ?
C9 C10 N2 C14 179.5(4) . . . . ?
C11 C10 N2 Bi1 171.4(4) . . . . ?
C9 C10 N2 Bi1 -6.9(6) . . . . ?
C13 C14 N2 C10 1.3(8) . . . . ?
C8 C14 N2 C10 -179.9(5) . . . . ?
C13 C14 N2 Bi1 -172.2(4) . . . . ?
C8 C14 N2 Bi1 6.6(6) . . . . ?
O1 Bi1 N2 C10 -101.8(4) . . . . ?
N1 Bi1 N2 C10 -48.0(4) . . . . ?
O7 Bi1 N2 C10 2.5(4) . . . . ?
O12 Bi1 N2 C10 -170.6(3) 5_656 . . . ?
O5 Bi1 N2 C10 177.9(4) . . . . ?
O4 Bi1 N2 C10 38.2(5) . . . . ?
O1 Bi1 N2 C14 71.8(4) . . . . ?
N1 Bi1 N2 C14 125.5(4) . . . . ?
O7 Bi1 N2 C14 176.0(4) . . . . ?
O12 Bi1 N2 C14 3.0(5) 5_656 . . . ?
O5 Bi1 N2 C14 -8.5(4) . . . . ?
O4 Bi1 N2 C14 -148.2(4) . . . . ?
C18 C17 N3 C21 -1.2(7) . . . . ?
C16 C17 N3 C21 178.9(4) . . . . ?
C18 C17 N3 Bi2 -178.7(4) . . . . ?
C16 C17 N3 Bi2 1.3(5) . . . . ?
C20 C21 N3 C17 0.9(7) . . . . ?
C15 C21 N3 C17 -178.0(4) . . . . ?
C20 C21 N3 Bi2 178.4(4) . . . . ?
C15 C21 N3 Bi2 -0.5(5) . . . . ?
O15 Bi2 N3 C17 -99.1(3) . . . . ?
O11 Bi2 N3 C17 -4.4(3) . . . . ?
N4 Bi2 N3 C17 -47.7(4) . . . . ?
O9 Bi2 N3 C17 179.8(4) . . . . ?
O4 Bi2 N3 C17 142.0(3) . . . . ?
O13 Bi2 N3 C17 77.4(3) 5_656 . . . ?
O13 Bi2 N3 C17 33.2(4) . . . . ?
O3 Bi2 N3 C17 -151.9(3) . . . . ?
O15 Bi2 N3 C21 83.3(4) . . . . ?
O11 Bi2 N3 C21 178.1(4) . . . . ?
N4 Bi2 N3 C21 134.7(3) . . . . ?
O9 Bi2 N3 C21 2.3(3) . . . . ?
O4 Bi2 N3 C21 -35.5(4) . . . . ?
O13 Bi2 N3 C21 -100.1(3) 5_656 . . . ?
O13 Bi2 N3 C21 -144.3(3) . . . . ?
O3 Bi2 N3 C21 30.6(4) . . . . ?
C27 C28 N4 C24 1.5(8) . . . . ?
C23 C28 N4 C24 -175.6(4) . . . . ?
C27 C28 N4 Bi2 177.7(4) . . . . ?
C23 C28 N4 Bi2 0.6(6) . . . . ?
C25 C24 N4 C28 -0.4(8) . . . . ?
C22 C24 N4 C28 -180.0(4) . . . . ?
C25 C24 N4 Bi2 -176.2(4) . . . . ?
C22 C24 N4 Bi2 4.2(6) . . . . ?
O15 Bi2 N4 C28 -2.9(3) . . . . ?
O11 Bi2 N4 C28 -99.0(4) . . . . ?
N3 Bi2 N4 C28 -57.7(4) . . . . ?
O9 Bi2 N4 C28 29.5(4) . . . . ?
O4 Bi2 N4 C28 114.5(4) . . . . ?
O13 Bi2 N4 C28 -158.9(3) 5_656 . . . ?
O13 Bi2 N4 C28 177.8(4) . . . . ?
O3 Bi2 N4 C28 73.2(4) . . . . ?
O15 Bi2 N4 C24 173.0(4) . . . . ?
O11 Bi2 N4 C24 76.9(4) . . . . ?
N3 Bi2 N4 C24 118.3(4) . . . . ?
O9 Bi2 N4 C24 -154.6(4) . . . . ?
O4 Bi2 N4 C24 -69.5(4) . . . . ?
O13 Bi2 N4 C24 17.0(5) 5_656 . . . ?
O13 Bi2 N4 C24 -6.3(4) . . . . ?
O3 Bi2 N4 C24 -110.8(4) . . . . ?
O2 C1 O1 Bi1 177.4(5) . . . . ?
C3 C1 O1 Bi1 -0.5(7) . . . . ?
N1 Bi1 O1 C1 -0.9(4) . . . . ?
O7 Bi1 O1 C1 70.4(4) . . . . ?
N2 Bi1 O1 C1 133.1(4) . . . . ?
O12 Bi1 O1 C1 -84.3(4) 5_656 . . . ?
O5 Bi1 O1 C1 -161.1(5) . . . . ?
O4 Bi1 O1 C1 -9.0(5) . . . . ?
O4 C2 O3 Bi2 -10.4(5) . . . . ?
C7 C2 O3 Bi2 171.4(4) . . . . ?
O15 Bi2 O3 C2 -160.9(3) . . . . ?
O11 Bi2 O3 C2 143.1(3) . . . . ?
N4 Bi2 O3 C2 129.0(3) . . . . ?
N3 Bi2 O3 C2 -107.2(3) . . . . ?
O9 Bi2 O3 C2 -80.2(3) . . . . ?
O4 Bi2 O3 C2 5.4(3) . . . . ?
O13 Bi2 O3 C2 3.5(4) 5_656 . . . ?
O13 Bi2 O3 C2 69.0(3) . . . . ?
O3 C2 O4 Bi1 167.8(4) . . . . ?
C7 C2 O4 Bi1 -14.0(6) . . . . ?
O3 C2 O4 Bi2 10.6(5) . . . . ?
C7 C2 O4 Bi2 -171.2(4) . . . . ?
O1 Bi1 O4 C2 20.4(4) . . . . ?
N1 Bi1 O4 C2 11.9(3) . . . . ?
O7 Bi1 O4 C2 -67.7(4) . . . . ?
N2 Bi1 O4 C2 -100.7(4) . . . . ?
O12 Bi1 O4 C2 97.8(4) 5_656 . . . ?
O5 Bi1 O4 C2 152.0(3) . . . . ?
O1 Bi1 O4 Bi2 163.6(2) . . . . ?
N1 Bi1 O4 Bi2 155.2(3) . . . . ?
O7 Bi1 O4 Bi2 75.6(2) . . . . ?
N2 Bi1 O4 Bi2 42.6(3) . . . . ?
O12 Bi1 O4 Bi2 -118.9(2) 5_656 . . . ?
O5 Bi1 O4 Bi2 -64.7(3) . . . . ?
O15 Bi2 O4 C2 9.9(3) . . . . ?
O11 Bi2 O4 C2 -144.2(3) . . . . ?
N4 Bi2 O4 C2 -64.1(3) . . . . ?
N3 Bi2 O4 C2 107.4(3) . . . . ?
O9 Bi2 O4 C2 72.3(3) . . . . ?
O13 Bi2 O4 C2 173.0(3) 5_656 . . . ?
O13 Bi2 O4 C2 -119.0(3) . . . . ?
O3 Bi2 O4 C2 -5.4(3) . . . . ?
O15 Bi2 O4 Bi1 -138.8(2) . . . . ?
O11 Bi2 O4 Bi1 67.2(3) . . . . ?
N4 Bi2 O4 Bi1 147.3(2) . . . . ?
N3 Bi2 O4 Bi1 -41.3(3) . . . . ?
O9 Bi2 O4 Bi1 -76.3(2) . . . . ?
O13 Bi2 O4 Bi1 24.3(2) 5_656 . . . ?
O13 Bi2 O4 Bi1 92.4(2) . . . . ?
O3 Bi2 O4 Bi1 -154.1(3) . . . . ?
O6 C8 O5 Bi1 169.0(4) . . . . ?
C14 C8 O5 Bi1 -11.7(7) . . . . ?
O1 Bi1 O5 C8 -71.6(4) . . . . ?
N1 Bi1 O5 C8 -101.0(4) . . . . ?
O7 Bi1 O5 C8 16.0(5) . . . . ?
N2 Bi1 O5 C8 10.7(4) . . . . ?
O12 Bi1 O5 C8 -161.6(4) 5_656 . . . ?
O4 Bi1 O5 C8 142.7(4) . . . . ?
O5 C8 O6 Cd -7.8(8) . . . 8_755 ?
C14 C8 O6 Cd 172.9(3) . . . 8_755 ?
O8 C9 O7 Bi1 170.8(4) . . . . ?
C10 C9 O7 Bi1 -7.9(7) . . . . ?
O8 C9 O7 Cd -4.4(5) . . . . ?
C10 C9 O7 Cd 176.9(5) . . . . ?
O1 Bi1 O7 C9 75.3(4) . . . . ?
N1 Bi1 O7 C9 141.5(4) . . . . ?
N2 Bi1 O7 C9 3.2(4) . . . . ?
O12 Bi1 O7 C9 172.6(4) 5_656 . . . ?
O5 Bi1 O7 C9 -2.1(5) . . . . ?
O4 Bi1 O7 C9 -152.1(4) . . . . ?
O1 Bi1 O7 Cd -115.5(4) . . . . ?
N1 Bi1 O7 Cd -49.3(4) . . . . ?
N2 Bi1 O7 Cd 172.4(4) . . . . ?
O12 Bi1 O7 Cd -18.2(6) 5_656 . . . ?
O5 Bi1 O7 Cd 167.1(3) . . . . ?
O4 Bi1 O7 Cd 17.1(3) . . . . ?
OW1 Cd O7 C9 -94.5(3) . . . . ?
O6 Cd O7 C9 -27.1(4) 8_765 . . . ?
O10 Cd O7 C9 81.4(3) . . . . ?
O8 Cd O7 C9 2.5(3) . . . . ?
OW2 Cd O7 C9 -172.5(3) . . . . ?
OW1 Cd O7 Bi1 94.6(4) . . . . ?
O6 Cd O7 Bi1 162.1(3) 8_765 . . . ?
O10 Cd O7 Bi1 -89.5(4) . . . . ?
O8 Cd O7 Bi1 -168.3(4) . . . . ?
OW2 Cd O7 Bi1 16.6(4) . . . . ?
O7 C9 O8 Cd 5.2(6) . . . . ?
C10 C9 O8 Cd -176.2(4) . . . . ?
OW1 Cd O8 C9 70.6(4) . . . . ?
O6 Cd O8 C9 160.9(3) 8_765 . . . ?
O10 Cd O8 C9 -111.3(3) . . . . ?
OW2 Cd O8 C9 12.7(7) . . . . ?
O7 Cd O8 C9 -2.6(3) . . . . ?
O10 C15 O9 Bi2 -174.4(4) . . . . ?
C21 C15 O9 Bi2 6.0(6) . . . . ?
O15 Bi2 O9 C15 -85.1(4) . . . . ?
O11 Bi2 O9 C15 -9.4(4) . . . . ?
N4 Bi2 O9 C15 -115.9(4) . . . . ?
N3 Bi2 O9 C15 -4.5(4) . . . . ?
O4 Bi2 O9 C15 146.4(4) . . . . ?
O13 Bi2 O9 C15 71.1(4) 5_656 . . . ?
O13 Bi2 O9 C15 125.4(4) . . . . ?
O3 Bi2 O9 C15 -161.8(4) . . . . ?
O9 C15 O10 Cd 4.9(6) . . . . ?
C21 C15 O10 Cd -175.5(4) . . . . ?
OW1 Cd O10 C15 137(2) . . . . ?
O6 Cd O10 C15 -156.5(3) 8_765 . . . ?
O8 Cd O10 C15 107.2(3) . . . . ?
OW2 Cd O10 C15 -57.9(3) . . . . ?
O7 Cd O10 C15 56.4(3) . . . . ?
O12 C16 O11 Bi2 168.5(4) . . . . ?
C17 C16 O11 Bi2 -10.6(6) . . . . ?
O15 Bi2 O11 C16 83.1(4) . . . . ?
N4 Bi2 O11 C16 150.4(4) . . . . ?
N3 Bi2 O11 C16 8.1(3) . . . . ?
O9 Bi2 O11 C16 13.0(4) . . . . ?
O4 Bi2 O11 C16 -118.9(4) . . . . ?
O13 Bi2 O11 C16 -76.1(4) 5_656 . . . ?
O13 Bi2 O11 C16 -144.1(4) . . . . ?
O3 Bi2 O11 C16 135.6(4) . . . . ?
O11 C16 O12 Bi1 -3.0(5) . . . 5_656 ?
C17 C16 O12 Bi1 176.1(4) . . . 5_656 ?
O14 C22 O13 Bi2 20.5(8) . . . 5_656 ?
C24 C22 O13 Bi2 -159.2(3) . . . 5_656 ?
O14 C22 O13 Bi2 169.9(5) . . . . ?
C24 C22 O13 Bi2 -9.8(6) . . . . ?
O15 Bi2 O13 C22 7.7(5) . . . . ?
O11 Bi2 O13 C22 -67.0(4) . . . . ?
N4 Bi2 O13 C22 8.5(4) . . . . ?
N3 Bi2 O13 C22 -102.0(4) . . . . ?
O9 Bi2 O13 C22 147.3(4) . . . . ?
O4 Bi2 O13 C22 126.5(4) . . . . ?
O13 Bi2 O13 C22 -150.7(5) 5_656 . . . ?
O3 Bi2 O13 C22 81.9(4) . . . . ?
O15 Bi2 O13 Bi2 158.35(14) . . . 5_656 ?
O11 Bi2 O13 Bi2 83.68(16) . . . 5_656 ?
N4 Bi2 O13 Bi2 159.2(2) . . . 5_656 ?
N3 Bi2 O13 Bi2 48.7(2) . . . 5_656 ?
O9 Bi2 O13 Bi2 -62.0(3) . . . 5_656 ?
O4 Bi2 O13 Bi2 -82.85(15) . . . 5_656 ?
O13 Bi2 O13 Bi2 0.0 5_656 . . 5_656 ?
O3 Bi2 O13 Bi2 -127.42(15) . . . 5_656 ?
O16 C23 O15 Bi2 173.8(4) . . . . ?
C28 C23 O15 Bi2 -7.6(7) . . . . ?
O11 Bi2 O15 C23 75.6(4) . . . . ?
N4 Bi2 O15 C23 5.7(4) . . . . ?
N3 Bi2 O15 C23 140.6(4) . . . . ?
O9 Bi2 O15 C23 -152.7(4) . . . . ?
O4 Bi2 O15 C23 -91.0(4) . . . . ?
O13 Bi2 O15 C23 132.3(4) 5_656 . . . ?
O13 Bi2 O15 C23 6.6(5) . . . . ?
O3 Bi2 O15 C23 -78.9(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
OW1 HW1A O16 0.85 2.07 2.761(6) 137.8 4_556
OW1 H1WB OW3 0.86 1.87 2.669(7) 154.1 .
OW2 HW2A O3 0.85 2.48 3.259(6) 152.9 .
OW2 HW2B O5 0.85 2.32 2.779(5) 114.5 8_765
OW3 HW3B O14 0.85(2) 1.94(4) 2.745(7) 158(7) 2_654

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.60
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.907
_refine_diff_density_min         -1.071
_refine_diff_density_rms         0.176

_database_code_depnum_ccdc_archive 'CCDC 903756'