Bis(μ-2-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]
Yong-Jing Wang; Jun Zhao; Zhen-Hua Dang; Li Xu; Acta Crystallographica Section E 63 (2007) m1770–m1771; doi:10.1107/S160053680701642X

data_2213684
_publ_section_title
Bis(\m-2-hydroxybenzoato-\k^2^<i>O</i>:<i>O</i>')bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato-\k^2^<i>O</i>,<i>O</i>')bismuth(III)]
_journal_coeditor_code           BT2330
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1770
_journal_page_last               m1771
_journal_paper_doi               10.1107/S160053680701642X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Bi2 (C7 H5 O3)6 (C10 H8 N2)2]'
_chemical_formula_moiety         'C62 H46 Bi2 N4 O18'
_chemical_formula_sum            'C62 H46 Bi2 N4 O18'
_chemical_formula_weight         1552.98
_chemical_name_systematic
;
Bis(\m-2-hydroxybenzoato-\k^2^O:O')bis[(2,2'-bipyridine-\k^2^N,N')bis(2-
hydroxybenzoato-\k^2^O,O')bismuth(III)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 117.4720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.4583(3)
_cell_length_b                   13.6698(2)
_cell_length_c                   21.60970(10)
_cell_measurement_reflns_used    14948
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.64
_cell_measurement_theta_min      1.83
_cell_volume                     5624.00(13)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14948
_diffrn_reflns_theta_full        25.64
_diffrn_reflns_theta_max         25.64
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    6.330
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.486062
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.813
_refine_diff_density_min         -1.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5322
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0258P)^2^+23.4426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0632
_reflns_number_gt                4590
_reflns_number_total             5322
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2330.cif
_cod_data_source_block           I
_cod_original_cell_volume        5624.00(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2213684
_cod_database_fobs_code          2213684