Poly[mercury(II)-μ-4,4'-bipyridine-di-μ-bromo]
Pan, Long; Zheng, Nengwu; Wu, Yonggang; Yu, Shichun; Huang, Xiaoying; Acta Crystallographica Section C 55 (1999) 343–345; doi:10.1107/S0108270198006325

data_2008205
_publ_section_title
;
 Poly[mercury(II)-\m-4,4'-bipyridine-di-\m-bromo]
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              343
_journal_page_last               345
_journal_paper_doi               10.1107/S0108270198006325
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Hg Br2 (C10 H8 N2)]'
_chemical_formula_moiety         'C10 H8 Br2 Hg1 N2 '
_chemical_formula_sum            'C10 H8 Br2 Hg N2'
_chemical_formula_weight         516.58
_chemical_name_systematic
;
\m-4,4'-bipyridylium di-\m-bromide-mercury(II)
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_Hall           '-C 2 2'
_space_group_name_H-M_alt        'C m m m'
_atom_type_scat_source
'International Tables for X-ray Crystallography(1974,Vol.IV)'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   11.688(2)
_cell_length_b                   12.561(4)
_cell_length_c                   3.9450(10)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      16.37
_cell_measurement_theta_min      11.59
_cell_volume                     579.2(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1989)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1994)'
_computing_publication_material  'local programs'
_computing_structure_refinement  'TEXSAN LS'
_computing_structure_solution    TEXSAN
_diffrn_measurement_device_type  'Enraf Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            358
_diffrn_reflns_theta_max         25.9
_diffrn_standards_decay_%        'intensity variation: 1.9'
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    20.087
_exptl_absorpt_correction_T_max  0.434
_exptl_absorpt_correction_T_min  0.292
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(Molecular Structure Corporation, 1989)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.962
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.25
_refine_diff_density_min         -1.40
_refine_ls_extinction_coef       1.43E-6
_refine_ls_extinction_method
'Zachariasen (1967) type 2 Guassian isotropic'
_refine_ls_goodness_of_fit_ref   1.25
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     29
_refine_ls_number_reflns         340
_refine_ls_R_factor_gt           0.031
_refine_ls_shift/su_max          .0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.038
_reflns_number_gt                340
_reflns_number_total             358
_reflns_threshold_expression     I>4\s(I)
_cod_data_source_file            bm1222.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Changing the space group from '-P 2 2' to '-C 2 2' after consulting the
 original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-06
;
_cod_original_cell_volume        579.1(3)
_cod_original_formula_sum        'C10 H8 Br2 Hg1 N2 '
_cod_database_code               2008205