<i>catena</i>-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')mercury(II)]-μ-chlorido-[dichloridomercury(II)]-μ-chlorido]
Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Hosseini-Yazdi, Seyed Abolfazl; Mahmoudi, Ghodrat; Acta Crystallographica Section E 68 (2012) m903–m904; doi:10.1107/S1600536812025718

data_2235445
_publ_section_title
;
 <i>catena</i>-Poly[[(benzil
 bis{[(pyridin-2-yl)methylidene]hydrazone}-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')mercury(II)]-\m-chlorido-[dichloridomercury(II)]-\m-chlorido]
;
_journal_coeditor_code           HB6787
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m903
_journal_page_last               m904
_journal_paper_doi               10.1107/S1600536812025718
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Hg Cl4 (C26 H20 N6)]'
_chemical_formula_moiety         'C26 H20 Cl4 Hg2 N6'
_chemical_formula_sum            'C26 H20 Cl4 Hg2 N6'
_chemical_formula_weight         959.46
_chemical_name_systematic
;
<i>catena</i>-Poly[[(benzil
bis{[(pyridin-2-yl)methylidene]hydrazone}-
\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')mercury(II)]-\m-chlorido-
[dichloridomercury(II)]-\m-chlorido]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 96.7020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8560(2)
_cell_length_b                   13.8093(4)
_cell_length_c                   23.6960(7)
_cell_measurement_reflns_used    700
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      3.5
_cell_volume                     2878.10(14)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       \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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            26994
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    11.055
_exptl_absorpt_correction_T_max  0.171
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.214
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.849
_refine_diff_density_min         -0.853
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         7066
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0162P)^2^+0.1878P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0442
_refine_ls_wR_factor_ref         0.0489
_reflns_number_gt                5295
_reflns_number_total             7066
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6787.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2235445
_cod_database_fobs_code          2235445