<i>catena</i>-Poly[[[dichloridomercury(II)]-μ-1,4-bis(3-pyridylaminomethyl)benzene-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
Gao, Shan; Ng, Seik Weng; Acta Crystallographica Section E 67 (2011) m1051–; doi:10.1107/S1600536811026043

data_2231359
_publ_section_title
;
 <i>catena</i>-Poly[[[dichloridomercury(II)]-\m-1,4-bis(3-pyridylaminomethyl)benzene-\k^2^<i>N</i>:<i>N</i>']
 <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
;
_journal_coeditor_code           XU5257
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1051
_journal_paper_doi               10.1107/S1600536811026043
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Hg Cl2 (C18 H18 N4)], C3 H7 N O'
_chemical_formula_moiety         'C18 H18 Cl2 Hg N4, C3 H7 N O'
_chemical_formula_sum            'C21 H25 Cl2 Hg N5 O'
_chemical_formula_weight         634.95
_chemical_name_systematic
;
<i>catena</i>-Poly[[[dichloridomercury(II)]-\m-1,4-bis(3-
pyridylaminomethyl)benzene-\k^2^<i>N</i>:<i>N</i>']
<i>N</i>,<i>N</i>-dimethylformamide monosolvate]
;
_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                 103.826(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4851(9)
_cell_length_b                   15.1215(14)
_cell_length_c                   19.490(2)
_cell_measurement_reflns_used    10259
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.17
_cell_volume                     2428.3(4)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       '\w scan'
_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  0.0888
_diffrn_reflns_av_sigmaI/netI    0.0786
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22980
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.580
_exptl_absorpt_correction_T_max  0.5314
_exptl_absorpt_correction_T_min  0.4386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.264
_refine_diff_density_min         -1.305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5479
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.1194
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1673
_reflns_number_gt                2593
_reflns_number_total             5479
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5257.cif
_cod_data_source_block           I
_cod_original_cell_volume        2428.2(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2231359
_cod_database_fobs_code          2231359