[Benzyl(2-pyridylmethylidene)amine]dichloridomercury(II)
Kim, Young-Inn; Kang, Sung Kwon; Acta Crystallographica Section E 66 (2010) m1251–; doi:10.1107/S1600536810035889

data_2227350
_publ_section_title
;
 [Benzyl(2-pyridylmethylidene)amine]dichloridomercury(II)
;
_journal_coeditor_code           CV2760
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1251
_journal_paper_doi               10.1107/S1600536810035889
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Hg Cl2 (C13 H12 N2)]'
_chemical_formula_moiety         'C13 H12 Cl2 Hg N2'
_chemical_formula_sum            'C13 H12 Cl2 Hg N2'
_chemical_formula_weight         467.74
_chemical_name_systematic
;
[Benzyl(2-pyridylmethylidene)amine]dichloridomercury(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 94.3430(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.27360(10)
_cell_length_b                   11.8828(2)
_cell_length_c                   14.1191(2)
_cell_measurement_reflns_used    5055
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.72
_cell_measurement_theta_min      2.24
_cell_volume                     1384.11(3)
_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) and DIAMOND (Brandenburg, 2010)'
_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 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    11.488
_exptl_absorpt_correction_T_max  0.118
_exptl_absorpt_correction_T_min  0.094
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
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_refine_diff_density_max         1.029
_refine_diff_density_min         -1.612
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0212P)^2^+1.9423P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0564
_reflns_number_gt                2797
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_reflns_threshold_expression     I>2\s(I)
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_cod_database_fobs_code          2227350