Crystal structure of an Hg^II^ coordination polymer with an unsymmetrical dipyridyl ligand: <i>catena</i>-poly[[[dichloridomercury(II)]-μ-<i>N</i>-(pyridin-4-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>'] chloroform hemisolvate]
Moon, Suk-Hee; Kang, Donghyun; Park, Ki-Min; Acta Crystallographica Section E 72 (2016) 1513–1516; doi:10.1107/S2056989016015310

data_2020595
_publ_section_title
;
 Crystal structure of an Hg^II^ coordination polymer with an unsymmetrical
 dipyridyl ligand:
 <i>catena</i>-poly[[[dichloridomercury(II)]-\m-<i>N</i>-(pyridin-4-ylmethyl)pyridin-3-amine-\k^2^<i>N</i>:<i>N</i>']
 chloroform hemisolvate]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1513
_journal_page_last               1516
_journal_paper_doi               10.1107/S2056989016015310
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Hg Cl2 (C11 H11 N3)], 0.5C H Cl3'
_chemical_formula_moiety         'C11 H11 Cl2 Hg N3, 0.5 (C H Cl3)'
_chemical_formula_sum            'C11.5 H11.5 Cl3.5 Hg N3'
_chemical_formula_weight         516.40
_chemical_name_systematic
;<i>catena</i>-Poly[[[dichloridomercury(II)]-\m-<i>N</i>-
(pyridin-4-ylmethyl)pyridin-3-amine-\k^2^<i>N</i>:<i>N</i>']
chloroform hemisolvate]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 95.501(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.6906(14)
_cell_length_b                   9.1942(8)
_cell_length_c                   21.0159(17)
_cell_measurement_reflns_used    3870
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      1.95
_cell_volume                     3210.2(5)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2010)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8852
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.452
_exptl_absorpt_coefficient_mu    10.160
_exptl_absorpt_correction_T_max  0.928069
_exptl_absorpt_correction_T_min  0.520798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_description       block
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.829
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3151
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0328
_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^)+(0.0340P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0735
_reflns_number_gt                2189
_reflns_number_total             3151
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sj5509sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2020595.cif.'
_cod_original_formula_sum        'C11.50 H11.50 Cl3.50 Hg N3'
_cod_database_code               2020595
_cod_database_fobs_code          2020595
_shelx_hkl_checksum              50789
_shelx_res_checksum              43047