<i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)]-μ-2,3,5,6-tetrachloroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
Zheng, Chang-Ge; Zhang, Peng; Li, Ping; Zhang, Pei-Pei; Acta Crystallographica Section E 68 (2012) m368–; doi:10.1107/S1600536812005429

data_2234372
_publ_section_title
;
 <i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-\k<i>N</i>^3^)cobalt(II)]-\m-2,3,5,6-tetrachloroterephthalato-\k^2^<i>O</i>^1^:<i>O</i>^4^]
;
_journal_coeditor_code           RK2332
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m368
_journal_paper_doi               10.1107/S1600536812005429
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co (C8 Cl4 O4) (C3 H4 N2)2 (H2 O)2]'
_chemical_formula_moiety         'C14 H12 Cl4 Co N4 O6'
_chemical_formula_sum            'C14 H12 Cl4 Co N4 O6'
_chemical_formula_weight         533.01
_chemical_name_systematic
;
<i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-\k<i>N</i>^3^)cobalt(II)]-
\m-2,3,5,6-tetrachloroterephthalato-\k^2^<i>O</i>^1^:<i>O</i>^4^]
;
_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                 120.76(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.646(4)
_cell_length_b                   12.068(2)
_cell_length_c                   10.741(2)
_cell_measurement_temperature    295(2)
_cell_volume                     2076.9(9)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2005)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2005)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2005)'
_computing_molecular_graphics    '<i>PLATON</i> (Spek, 2009)'
_computing_publication_material  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6189
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.38
_exptl_absorpt_coefficient_mu    1.380
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.6773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.272
_refine_diff_density_min         -0.288
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         2342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0321
_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^)+(0.0410P)^2^+0.2172P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                1959
_reflns_number_total             2342
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            rk2332.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2234372
_cod_database_fobs_code          2234372