# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_Bi_DO3A
_database_code_depnum_ccdc_archive 'CCDC 1845679'
_audit_update_record             
;
2018-07-24 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H30 Bi N4 O9.50'
_chemical_formula_weight         615.40

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'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   7.9658(4)
_cell_length_b                   9.4955(5)
_cell_length_c                   26.0125(14)
_cell_angle_alpha                90
_cell_angle_beta                 95.157(2)
_cell_angle_gamma                90
_cell_volume                     1959.60(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      28.38

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.086
_exptl_crystal_F_000             1204
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.214
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.079
_exptl_absorpt_coefficient_mu    9.056
_shelx_estimated_absorpt_T_min   0.247
_shelx_estimated_absorpt_T_max   0.535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3729
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS-2016/2 (Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec high brillance I\muS microsource'
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31052
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.284
_diffrn_reflns_theta_max         28.379
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4913
_reflns_number_gt                4584
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'WebLab viewer Pro 4.0'
_computing_publication_material  'WinGX publication routines (Farrugia, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0043P)²+20.5974P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4913
_refine_ls_number_parameters     256
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0687
_refine_ls_wR_factor_gt          0.0680
_refine_ls_goodness_of_fit_ref   1.223
_refine_ls_restrained_S_all      1.223
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.56202(2) 0.20780(2) 0.33150(2) 0.00712(5) Uani 1 1 d . . . . .
C1 C 0.7979(6) -0.0700(5) 0.30430(19) 0.0106(9) Uani 1 1 d . . . . .
H1A H 0.9056 -0.1098 0.2947 0.013 Uiso 1 1 calc R U . . .
H1B H 0.7045 -0.1210 0.2847 0.013 Uiso 1 1 calc R U . . .
C2 C 0.7858(6) -0.0894(5) 0.36168(19) 0.0106(9) Uani 1 1 d . . . . .
H2A H 0.7910 -0.1910 0.3702 0.013 Uiso 1 1 calc R U . . .
H2B H 0.8828 -0.0425 0.3811 0.013 Uiso 1 1 calc R U . . .
C3 C 0.6365(6) -0.0085(5) 0.43436(19) 0.0117(9) Uani 1 1 d . . . . .
H3A H 0.6891 -0.0922 0.4519 0.014 Uiso 1 1 calc R U . . .
H3B H 0.5212 0.0013 0.4452 0.014 Uiso 1 1 calc R U . . .
C4 C 0.7387(7) 0.1218(5) 0.45061(19) 0.0135(9) Uani 1 1 d . . . . .
H4A H 0.7439 0.1321 0.4886 0.016 Uiso 1 1 calc R U . . .
H4B H 0.8554 0.1103 0.4410 0.016 Uiso 1 1 calc R U . . .
C5 C 0.7896(7) 0.3684(5) 0.43007(19) 0.0156(10) Uani 1 1 d . . . . .
H5A H 0.8537 0.3651 0.4645 0.019 Uiso 1 1 calc R U . . .
H5B H 0.7290 0.4594 0.4270 0.019 Uiso 1 1 calc R U . . .
C6 C 0.9111(7) 0.3600(5) 0.38885(19) 0.0151(10) Uani 1 1 d . . . . .
H6A H 0.9900 0.4406 0.3926 0.018 Uiso 1 1 calc R U . . .
H6B H 0.9780 0.2723 0.3935 0.018 Uiso 1 1 calc R U . . .
C7 C 0.9339(6) 0.3119(5) 0.2976(2) 0.0120(9) Uani 1 1 d . . . . .
H7A H 1.0455 0.3577 0.3041 0.014 Uiso 1 1 calc R U . . .
H7B H 0.8856 0.3390 0.2626 0.014 Uiso 1 1 calc R U . . .
C8 C 0.9553(6) 0.1521(5) 0.3003(2) 0.0123(9) Uani 1 1 d . . . . .
H8A H 1.0300 0.1209 0.2741 0.015 Uiso 1 1 calc R U . . .
H8B H 1.0084 0.1250 0.3348 0.015 Uiso 1 1 calc R U . . .
C9 C 0.4825(6) -0.1229(5) 0.36211(19) 0.0112(9) Uani 1 1 d . . . . .
H9A H 0.4853 -0.2044 0.3859 0.013 Uiso 1 1 calc R U . . .
H9B H 0.4938 -0.1594 0.3269 0.013 Uiso 1 1 calc R U . . .
C10 C 0.3127(6) -0.0482(5) 0.36272(19) 0.0131(9) Uani 1 1 d . . . . .
C11 C 0.5147(7) 0.2944(6) 0.45184(19) 0.0167(10) Uani 1 1 d . . . . .
H11A H 0.5523 0.3343 0.4861 0.020 Uiso 1 1 calc R U . . .
H11B H 0.4447 0.2105 0.4573 0.020 Uiso 1 1 calc R U . . .
C12 C 0.4069(7) 0.4042(5) 0.42058(19) 0.0134(9) Uani 1 1 d . . . . .
C13 C 0.7638(6) 0.5072(5) 0.32225(19) 0.0113(9) Uani 1 1 d . . . . .
H13A H 0.8620 0.5652 0.3148 0.014 Uiso 1 1 calc R U . . .
H13B H 0.7129 0.5504 0.3518 0.014 Uiso 1 1 calc R U . . .
C14 C 0.6345(6) 0.5065(5) 0.27502(19) 0.0107(9) Uani 1 1 d . . . . .
N1 N 0.7889(5) 0.0825(4) 0.29094(16) 0.0091(8) Uani 1 1 d . . . . .
H1 H 0.7584 0.0874 0.2528 0.011 Uiso 1 1 calc R U . . .
N2 N 0.6271(5) -0.0295(4) 0.37746(16) 0.0090(7) Uani 1 1 d . . . . .
N3 N 0.6642(5) 0.2507(4) 0.42592(16) 0.0115(8) Uani 1 1 d . . . . .
N4 N 0.8216(5) 0.3617(4) 0.33630(15) 0.0097(8) Uani 1 1 d . . . . .
O1 O 0.3127(4) 0.0845(4) 0.36842(15) 0.0141(7) Uani 1 1 d . . . . .
O2 O 0.1838(4) -0.1233(4) 0.35705(15) 0.0170(7) Uani 1 1 d . . . . .
O3 O 0.4287(5) 0.4183(4) 0.37333(14) 0.0144(7) Uani 1 1 d . . . . .
O4 O 0.3026(5) 0.4697(4) 0.44446(15) 0.0199(8) Uani 1 1 d . . . . .
O5 O 0.5576(4) 0.3932(4) 0.26415(13) 0.0132(7) Uani 1 1 d . . . . .
O6 O 0.6116(5) 0.6200(4) 0.25148(14) 0.0170(7) Uani 1 1 d . . . . .
O1W O 0.2059(4) 0.6017(4) 0.31757(10) 0.0155(7) Uani 1 1 d G . . . .
H1WA H 0.1910 0.6871 0.3284 0.023 Uiso 1 1 d G U . . .
H1WB H 0.2781 0.5649 0.3409 0.023 Uiso 1 1 d G U . . .
O2W O 0.1053(3) 0.7035(3) 0.43925(10) 0.0254(9) Uani 1 1 d G . . . .
H2WA H 0.1680 0.6299 0.4355 0.038 Uiso 1 1 d G U . . .
H2WB H 0.1292 0.7448 0.4120 0.038 Uiso 1 1 d G U . . .
O3W O -0.2112(4) 0.6927(4) 0.47218(15) 0.0443(14) Uani 1 1 d G . . . .
H3WA H -0.1067 0.6964 0.4650 0.066 Uiso 1 1 d G U . . .
H3WB H -0.2066 0.6555 0.5028 0.066 Uiso 1 1 d G U . . .
O4W O 1.1314(9) 0.0766(11) 0.4507(3) 0.055(3) Uani 0.5 1 d G . P . .


_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 N1 2.478(4) . ?
Bi1 O5 2.482(3) . ?
Bi1 N4 2.526(4) . ?
Bi1 N3 2.550(4) . ?
Bi1 O3 2.552(4) . ?
Bi1 O1 2.565(4) . ?
Bi1 N2 2.581(4) . ?
Bi1 O6 2.594(4) 2_645 ?
C1 N1 1.490(6) . ?
C1 C2 1.516(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 N2 1.478(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 N2 1.488(6) . ?
C3 C4 1.520(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 N3 1.481(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 N3 1.496(6) . ?
C5 C6 1.510(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N4 1.484(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 N4 1.482(6) . ?
C7 C8 1.528(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 N1 1.481(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 N2 1.480(6) . ?
C9 C10 1.529(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O2 1.248(6) . ?
C10 O1 1.269(6) . ?
C11 N3 1.480(7) . ?
C11 C12 1.536(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 O4 1.248(6) . ?
C12 O3 1.264(6) . ?
C13 N4 1.491(6) . ?
C13 C14 1.531(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 O6 1.245(6) . ?
C14 O5 1.257(6) . ?
N1 H1 1.0000 . ?
O6 Bi1 2.594(4) 2_655 ?
O1W H1WA 0.8700 . ?
O1W H1WB 0.8704 . ?
O2W H2WA 0.8702 . ?
O2W H2WB 0.8460 . ?
O3W H3WA 0.8698 . ?
O3W H3WB 0.8702 . ?

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
N1 Bi1 O5 90.27(13) . . ?
N1 Bi1 N4 70.95(13) . . ?
O5 Bi1 N4 65.42(12) . . ?
N1 Bi1 N3 107.75(14) . . ?
O5 Bi1 N3 123.34(12) . . ?
N4 Bi1 N3 70.78(13) . . ?
N1 Bi1 O3 154.82(13) . . ?
O5 Bi1 O3 76.42(12) . . ?
N4 Bi1 O3 84.02(13) . . ?
N3 Bi1 O3 64.73(12) . . ?
N1 Bi1 O1 124.02(12) . . ?
O5 Bi1 O1 128.73(11) . . ?
N4 Bi1 O1 154.60(13) . . ?
N3 Bi1 O1 84.44(13) . . ?
O3 Bi1 O1 80.32(12) . . ?
N1 Bi1 N2 69.78(13) . . ?
O5 Bi1 N2 159.35(12) . . ?
N4 Bi1 N2 110.65(12) . . ?
N3 Bi1 N2 70.11(13) . . ?
O3 Bi1 N2 124.05(12) . . ?
O1 Bi1 N2 63.79(12) . . ?
N1 Bi1 O6 81.15(12) . 2_645 ?
O5 Bi1 O6 70.62(12) . 2_645 ?
N4 Bi1 O6 126.86(13) . 2_645 ?
N3 Bi1 O6 162.35(13) . 2_645 ?
O3 Bi1 O6 113.29(12) . 2_645 ?
O1 Bi1 O6 78.00(12) . 2_645 ?
N2 Bi1 O6 100.06(12) . 2_645 ?
N1 C1 C2 110.0(4) . . ?
N1 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
N1 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
N2 C2 C1 111.0(4) . . ?
N2 C2 H2A 109.4 . . ?
C1 C2 H2A 109.4 . . ?
N2 C2 H2B 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
N2 C3 C4 111.3(4) . . ?
N2 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
N2 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
N3 C4 C3 111.6(4) . . ?
N3 C4 H4A 109.3 . . ?
C3 C4 H4A 109.3 . . ?
N3 C4 H4B 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 108.0 . . ?
N3 C5 C6 112.1(4) . . ?
N3 C5 H5A 109.2 . . ?
C6 C5 H5A 109.2 . . ?
N3 C5 H5B 109.2 . . ?
C6 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
N4 C6 C5 111.6(4) . . ?
N4 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
N4 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
N4 C7 C8 110.9(4) . . ?
N4 C7 H7A 109.5 . . ?
C8 C7 H7A 109.5 . . ?
N4 C7 H7B 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 108.0 . . ?
N1 C8 C7 109.9(4) . . ?
N1 C8 H8A 109.7 . . ?
C7 C8 H8A 109.7 . . ?
N1 C8 H8B 109.7 . . ?
C7 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
N2 C9 C10 112.8(4) . . ?
N2 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
N2 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
O2 C10 O1 125.0(5) . . ?
O2 C10 C9 116.9(5) . . ?
O1 C10 C9 118.1(4) . . ?
N3 C11 C12 112.5(4) . . ?
N3 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N3 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
O4 C12 O3 125.9(5) . . ?
O4 C12 C11 116.1(4) . . ?
O3 C12 C11 117.9(4) . . ?
N4 C13 C14 111.3(4) . . ?
N4 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
N4 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
O6 C14 O5 125.7(5) . . ?
O6 C14 C13 116.7(4) . . ?
O5 C14 C13 117.6(4) . . ?
C8 N1 C1 111.8(4) . . ?
C8 N1 Bi1 113.1(3) . . ?
C1 N1 Bi1 112.9(3) . . ?
C8 N1 H1 106.1 . . ?
C1 N1 H1 106.1 . . ?
Bi1 N1 H1 106.1 . . ?
C2 N2 C9 111.0(4) . . ?
C2 N2 C3 111.1(4) . . ?
C9 N2 C3 108.5(4) . . ?
C2 N2 Bi1 110.4(3) . . ?
C9 N2 Bi1 106.2(3) . . ?
C3 N2 Bi1 109.5(3) . . ?
C11 N3 C4 110.0(4) . . ?
C11 N3 C5 108.5(4) . . ?
C4 N3 C5 110.3(4) . . ?
C11 N3 Bi1 106.5(3) . . ?
C4 N3 Bi1 111.5(3) . . ?
C5 N3 Bi1 110.0(3) . . ?
C7 N4 C6 110.6(4) . . ?
C7 N4 C13 108.7(4) . . ?
C6 N4 C13 110.4(4) . . ?
C7 N4 Bi1 108.8(3) . . ?
C6 N4 Bi1 111.3(3) . . ?
C13 N4 Bi1 106.9(3) . . ?
C10 O1 Bi1 113.7(3) . . ?
C12 O3 Bi1 115.5(3) . . ?
C14 O5 Bi1 118.2(3) . . ?
C14 O6 Bi1 137.0(3) . 2_655 ?
H1WA O1W H1WB 104.5 . . ?
H2WA O2W H2WB 95.9 . . ?
H3WA O3W H3WB 104.5 . . ?

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
N1 C1 C2 N2 58.7(5) . . . . ?
N2 C3 C4 N3 59.7(5) . . . . ?
N3 C5 C6 N4 57.8(5) . . . . ?
N4 C7 C8 N1 59.0(5) . . . . ?
N2 C9 C10 O2 -170.7(4) . . . . ?
N2 C9 C10 O1 9.9(6) . . . . ?
N3 C11 C12 O4 -164.1(5) . . . . ?
N3 C11 C12 O3 17.3(7) . . . . ?
N4 C13 C14 O6 -161.2(4) . . . . ?
N4 C13 C14 O5 20.7(6) . . . . ?
C7 C8 N1 C1 -167.6(4) . . . . ?
C7 C8 N1 Bi1 -38.9(5) . . . . ?
C2 C1 N1 C8 83.4(5) . . . . ?
C2 C1 N1 Bi1 -45.4(4) . . . . ?
C1 C2 N2 C9 76.4(5) . . . . ?
C1 C2 N2 C3 -162.8(4) . . . . ?
C1 C2 N2 Bi1 -41.1(4) . . . . ?
C10 C9 N2 C2 -162.9(4) . . . . ?
C10 C9 N2 C3 74.8(5) . . . . ?
C10 C9 N2 Bi1 -42.8(4) . . . . ?
C4 C3 N2 C2 77.4(5) . . . . ?
C4 C3 N2 C9 -160.4(4) . . . . ?
C4 C3 N2 Bi1 -44.9(4) . . . . ?
C12 C11 N3 C4 -166.0(4) . . . . ?
C12 C11 N3 C5 73.3(5) . . . . ?
C12 C11 N3 Bi1 -45.1(5) . . . . ?
C3 C4 N3 C11 76.5(5) . . . . ?
C3 C4 N3 C5 -163.9(4) . . . . ?
C3 C4 N3 Bi1 -41.3(5) . . . . ?
C6 C5 N3 C11 -157.7(4) . . . . ?
C6 C5 N3 C4 81.8(5) . . . . ?
C6 C5 N3 Bi1 -41.6(5) . . . . ?
C8 C7 N4 C6 75.3(5) . . . . ?
C8 C7 N4 C13 -163.4(4) . . . . ?
C8 C7 N4 Bi1 -47.2(4) . . . . ?
C5 C6 N4 C7 -163.3(4) . . . . ?
C5 C6 N4 C13 76.3(5) . . . . ?
C5 C6 N4 Bi1 -42.2(5) . . . . ?
C14 C13 N4 C7 73.0(5) . . . . ?
C14 C13 N4 C6 -165.6(4) . . . . ?
C14 C13 N4 Bi1 -44.4(4) . . . . ?
O2 C10 O1 Bi1 -148.9(4) . . . . ?
C9 C10 O1 Bi1 30.4(5) . . . . ?
O4 C12 O3 Bi1 -156.8(4) . . . . ?
C11 C12 O3 Bi1 21.7(6) . . . . ?
O6 C14 O5 Bi1 -161.3(4) . . . . ?
C13 C14 O5 Bi1 16.7(6) . . . . ?
O5 C14 O6 Bi1 -6.3(8) . . . 2_655 ?
C13 C14 O6 Bi1 175.8(3) . . . 2_655 ?

_refine_diff_density_max         3.441
_refine_diff_density_min         -2.381
_refine_diff_density_rms         0.181


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: water'
