(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyrrolidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')bismuth(III)
Feng Li; Han-Dong Yin; Da-Qi Wang; Acta Crystallographica Section E 63 (2007) m1577–m1577; doi:10.1107/S1600536807021137

data_2213747
_publ_section_title
(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')(nitrato-\k^2^<i>O</i>,<i>O</i>')bis(pyrrolidine-1-dithiocarboxylato-\k^2^<i>S</i>,<i>S</i>')bismuth(III)
_journal_coeditor_code           DN2168
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1577
_journal_page_last               m1577
_journal_paper_doi               10.1107/S1600536807021137
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Bi (C4 H8 N S2)2 (N O3) (C10 H8 N2)]'
_chemical_formula_moiety         'C20 H24 Bi N5 O3 S4'
_chemical_formula_sum            'C20 H24 Bi N5 O3 S4'
_chemical_formula_weight         719.66
_chemical_name_systematic
;
(2,2'-Bipyridine-\k^2^N,N')(nitrato-\k^2^O,O')bis(pyrrolidine-1-
dithiocarboxylato-\k^2^<i>S</i>,<i>S</i>')bismuth(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                73.634(4)
_cell_angle_beta                 76.032(4)
_cell_angle_gamma                70.916(4)
_cell_formula_units_Z            2
_cell_length_a                   9.565(4)
_cell_length_b                   10.171(4)
_cell_length_c                   14.555(5)
_cell_measurement_reflns_used    3168
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.323
_cell_measurement_theta_min      2.173
_cell_volume                     1266.4(8)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_sigmaI/netI    0.1000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6375
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    7.323
_exptl_absorpt_correction_T_max  0.212
_exptl_absorpt_correction_T_min  0.149
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.343
_refine_diff_density_min         -5.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4305
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0971P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1632
_reflns_number_gt                3408
_reflns_number_total             4305
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2168.cif
_cod_data_source_block           I
_cod_original_cell_volume        1266.5(8)
_cod_database_code               2213747
_cod_database_fobs_code          2213747