Di-μ-chlorido-bis{[2-(benzyliminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>']chloridomercury(II)} dichloridomercury(II)
Kim, Young-Inn; Song, Young-Kwang; Yun, Seong-Jae; Kim, In-Chan; Kang, Sung Kwon; Acta Crystallographica Section E 67 (2011) m52–m53; doi:10.1107/S1600536810050725

data_2228783
_publ_section_title
;
 Di-\m-chlorido-bis{[2-(benzyliminomethyl)pyridine-\k^2^<i>N</i>,<i>N</i>']chloridomercury(II)}
 dichloridomercury(II)
;
_journal_coeditor_code           JH2236
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m52
_journal_page_last               m53
_journal_paper_doi               10.1107/S1600536810050725
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Hg2 Cl4 (C13 H12 N2)2], [Hg Cl2]'
_chemical_formula_moiety         'C26 H24 Cl4 Hg2 N4, Cl2 Hg'
_chemical_formula_sum            'C26 H24 Cl6 Hg3 N4'
_chemical_formula_weight         1206.96
_chemical_name_systematic
;
Di-\m-chlorido-bis{[2-(benzyliminomethyl)pyridine-
\k^2^<i>N</i>,<i>N</i>']chloridomercury(II)} dichloridomercury(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 92.9390(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.1329(2)
_cell_length_b                   8.11410(10)
_cell_length_c                   19.0591(2)
_cell_measurement_reflns_used    5840
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.23
_cell_volume                     1564.97(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16269
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    15.216
_exptl_absorpt_correction_T_max  0.158
_exptl_absorpt_correction_T_min  0.104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.213
_refine_diff_density_min         -1.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         3892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0250P)^2^+1.1429P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                3279
_reflns_number_total             3892
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2236.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2228783
_cod_database_fobs_code          2228783