Crystal structure of di-μ-chlorido-bis(chlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(pyridin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II))
Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.; Acta Crystallographica Section E 71 (2015) m175–m176; doi:10.1107/S2056989015015790

data_2241062
_publ_section_title
;
 Crystal structure of
 di-\m-chlorido-bis(chlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(pyridin-2-yl-\k<i>N</i>)methylidene]benzene-1,4-diamine-\k<i>N</i>^4^}mercury(II))
;
_journal_coeditor_code           SU5192
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m175
_journal_page_last               m176
_journal_paper_doi               10.1107/S2056989015015790
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Hg2 Cl4 (C18 H15 N3)2]'
_chemical_formula_moiety         'C36 H30 Cl4 Hg2 N6'
_chemical_formula_sum            'C36 H30 Cl4 Hg2 N6'
_chemical_formula_weight         1089.64
_chemical_name_systematic
Di-\m-chlorido-bis(chlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(pyridin-2-yl-\k<i>N</i>)methylidene]benzene-1,4-diamine-\k<i>N</i>^4^}mercury(II))
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 90.194(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.7507(14)
_cell_length_b                   8.9026(11)
_cell_length_c                   17.050(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1783.6(4)
_computing_cell_refinement
;
SAINT (Bruker, 2003)
;
_computing_data_collection
;
SMART (Bruker, 2003)
;
_computing_data_reduction
;
SAINT (Bruker, 2003)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR97 (Altomare <i>et al.</i>, 1999)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       /w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0977
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19428
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.469
_diffrn_reflns_theta_min         2.389
_exptl_absorpt_coefficient_mu    8.933
_exptl_absorpt_correction_T_max  0.4137
_exptl_absorpt_correction_T_min  0.2962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2004)
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.029
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.778
_refine_diff_density_min         -1.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         4451
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.1084
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0446P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1235
_reflns_number_gt                2451
_reflns_number_total             4451
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su5192sup1.cf
_cod_data_source_block           I
_cod_database_code               2241062
_shelx_estimated_absorpt_t_min   0.296
_shelx_estimated_absorpt_t_max   0.414
_shelx_hkl_checksum              56068
_shelx_res_checksum              27213
_shelxl_version_number           2014/6
_cod_database_fobs_code 2241062