<i>catena</i>-Poly[[diiodidomercury(II)]-μ-<i>N</i>,<i>N</i>'-<i>p</i>-phenylenebis(pyridine-3-carboxamide)-κ^2^<i>N</i>:<i>N</i>']
Zhu, Ying-Gui; Gao, Feng; Acta Crystallographica Section E 63 (2007) m778–m779; doi:10.1107/S160053680700709X

data_2212668
_publ_section_title
<i>catena</i>-Poly[[diiodidomercury(II)]-\m-<i>N</i>,<i>N</i>'-<i>p</i>-phenylenebis(pyridine-3-carboxamide)-\k^2^<i>N</i>:<i>N</i>']
_journal_coeditor_code           PV2003
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m778
_journal_page_last               m779
_journal_paper_doi               10.1107/S160053680700709X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Hg I2 (C18 H14 N4 O2)]'
_chemical_formula_moiety         'C18 H14 Hg I2 N4 O2'
_chemical_formula_sum            'C18 H14 Hg I2 N4 O2'
_chemical_formula_weight         772.72
_chemical_name_systematic
;
catena-Poly[[diiodidomercury(II)]-\m-N,N'-p-phenylene-bis(pyridine-3-
carboxamide)-k^2^N:N']
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 95.558(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.035(4)
_cell_length_b                   5.0473(14)
_cell_length_c                   25.060(7)
_cell_measurement_reflns_used    979
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      2.55
_cell_volume                     2018.7(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0746
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            4801
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.704
_exptl_absorpt_correction_T_max  0.342
_exptl_absorpt_correction_T_min  0.092
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.200
_refine_diff_density_min         -1.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         1964
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0829
_reflns_number_gt                1806
_reflns_number_total             1964
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2003.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2212668
_cod_database_fobs_code          2212668