<i>catena</i>-Poly[1,10-phenanthroline-1,10-diium [[dichloridobismuthate(III)]-di-μ-chlorido]]
Feng Li; Handong Yin; Simpson, Jim; Acta Crystallographica Section E 63 (2007) m1746–m1746; doi:10.1107/S1600536807023318

data_2213654
_publ_section_title
;
 <i>catena</i>-Poly[1,10-phenanthroline-1,10-diium
 [[dichloridobismuthate(III)]-di-\m-chlorido]]
;
_journal_coeditor_code           AT2292
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1746
_journal_page_last               m1746
_journal_paper_doi               10.1107/S1600536807023318
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C12 H10 N2 )[Bi Cl4 ]'
_chemical_formula_moiety         'C12 H10 N2, Bi Cl4'
_chemical_formula_sum            'C12 H10 Bi Cl4 N2'
_chemical_formula_weight         533.00
_chemical_name_systematic
;
<i>catena</i>-Poly[1,10-phenanthroline-1,10-diium
[[dichloridobismuth(III)]-di-\m-chlorido]]
;
_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           SHELXL-97
_cell_angle_alpha                77.944(3)
_cell_angle_beta                 75.044(2)
_cell_angle_gamma                69.313(2)
_cell_formula_units_Z            2
_cell_length_a                   7.2569(14)
_cell_length_b                   10.1924(19)
_cell_length_c                   12.139(2)
_cell_measurement_reflns_used    2619
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.586
_cell_measurement_theta_min      2.154
_cell_volume                     804.6(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0397
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4232
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.75
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.607
_exptl_absorpt_correction_T_max  0.098
_exptl_absorpt_correction_T_min  0.088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             494
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.696
_refine_diff_density_min         -1.530
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2804
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0769P)^2^+0.0334P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1046
_reflns_number_gt                2469
_reflns_number_total             2804
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2292.cif
_cod_data_source_block           I
_cod_database_code               2213654
_cod_database_fobs_code          2213654