The layered compound poly[μ~2~-4,4'-bipyridyl-di-μ~2~-chlorido-mercury(II)]
Yi-Ming Xie; Ji-Huai Wu; Acta Crystallographica Section C 63 (2007) m220–m221; doi:10.1107/S0108270107016800

data_2015960
_publ_section_title
;
 The layered compound
 poly[\m~2~-4,4'-bipyridyl-di-\m~2~-chlorido-mercury(II)]
;
_journal_coeditor_code           LN3048
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m220
_journal_page_last               m221
_journal_paper_doi               10.1107/S0108270107016800
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Hg Cl2 (C10 H8 N2)]'
_chemical_formula_moiety         'C10 H8 Cl2 Hg N2'
_chemical_formula_sum            'C10 H8 Cl2 Hg N2'
_chemical_formula_weight         427.67
_chemical_name_common            '[HgCl~2~(4,4'-Bipy)]~n~'
_chemical_name_systematic
;
poly[\m~2~-4,4'-bipyridyl-di-\m~2~-chloro-mercury(II)]
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.6289(17)
_cell_length_b                   12.179(2)
_cell_length_c                   3.8538(7)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      60.94502
_cell_measurement_theta_min      4.842847
_cell_volume                     545.81(16)
_computing_cell_refinement       WinAFC
_computing_data_collection       'WinAFC (Rigaku Corporation, 2002)'
_computing_data_reduction        'CrystalStructure (Rigaku Corporation, 2002)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Siemens, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            338
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.35
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 5
_diffrn_standards_interval_time  10
_diffrn_standards_number         30
_exptl_absorpt_coefficient_mu    14.553
_exptl_absorpt_correction_T_max  0.9997
_exptl_absorpt_correction_T_min  0.5710
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(Psi in WinAFC; Rigaku Corporation, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             392
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.898
_refine_diff_density_min         -1.110
_refine_ls_extinction_coef       0.0066(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXTL
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     35
_refine_ls_number_reflns         323
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0188
_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^)+(0.0286P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0451
_refine_ls_wR_factor_ref         0.0451
_reflns_number_gt                323
_reflns_number_total             323
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ln3048.cif
_cod_data_source_block           I
_cod_database_code               2015960
_cod_database_fobs_code          2015960