<i>catena</i>-Poly[[dichloridomercury(II)]-μ-{<i>N</i>-[(<i>E</i>)-pyridin-2-ylmethylidene-κ<i>N</i>]pyridin-3-amine-κ^2^<i>N</i>^1^:<i>N</i>^3^}]
Mahmoudi, Ali; Dehghanpour, Saeed; Najafi, Leila; Khalafbeigi, Mohammad; Acta Crystallographica Section E 68 (2012) m1244–; doi:10.1107/S1600536812035775

data_2236154
_publ_section_title
;
 <i>catena</i>-Poly[[dichloridomercury(II)]-\m-{<i>N</i>-[(<i>E</i>)-pyridin-2-ylmethylidene-\k<i>N</i>]pyridin-3-amine-\k^2^<i>N</i>^1^:<i>N</i>^3^}]
;
_journal_coeditor_code           CV5327
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1244
_journal_paper_doi               10.1107/S1600536812035775
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Hg Cl2 (C11 H9 N3)]'
_chemical_formula_moiety         'C11 H9 Cl2 Hg N3'
_chemical_formula_sum            'C11 H9 Cl2 Hg N3'
_chemical_formula_weight         454.70
_chemical_name_systematic
;
<i>catena</i>-Poly[[dichloridomercury(II)]-\m-{<i>N</i>-[(<i>E</i>)-pyridin-2-
ylmethylidene-\k<i>N</i>]pyridin-3-amine-\k^2^<i>N</i>^1^:<i>N</i>^3^}]
;
_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'
_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                 96.077(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5645(5)
_cell_length_b                   13.1057(9)
_cell_length_c                   12.7017(5)
_cell_measurement_reflns_used    8560
_cell_measurement_temperature    150.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1252.15(13)
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2002)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      150.0(10)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offsets'
_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  0.0587
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8560
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.697
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SORTAV; Blessing, 1995)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.453
_refine_diff_density_min         -3.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0415
_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^)+(0.0613P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                2164
_reflns_number_total             2837
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv5327.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2236154
_cod_database_fobs_code          2236154