Poly[[μ~2~-1,1'-(butane-1,4-diyl)bis(imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dichlorocobalt(II)]
Guo-Chen Dong; Rong-Chang Zhang; Acta Crystallographica Section E 62 (2006) m1847–m1849; doi:10.1107/S1600536806026985

data_2209766
_publ_section_title
Poly[[\m~2~-1,1'-(butane-1,4-diyl)bis(imidazole)-\k^2^<i>N</i>^3^:<i>N</i>^3'^]dichlorocobalt(II)]
_journal_coeditor_code           BT2135
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1847
_journal_page_last               m1849
_journal_paper_doi               10.1107/S1600536806026985
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Co Cl2 (C10 H14 N4)2]'
_chemical_formula_moiety         'C20 H28 Cl2 Co N8'
_chemical_formula_sum            'C20 H28 Cl2 Co N8'
_chemical_formula_weight         510.33
_chemical_name_systematic
;
poly[[\m~2~-1,1'-(1,4-butanediyl)bis(imidazole)-
\k^2^N^3^:N^3'^]dichlorocobalt(II)]
;
_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                 112.36(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.5731(15)
_cell_length_b                   18.615(4)
_cell_length_c                   8.6622(17)
_cell_measurement_reflns_used    7259
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.02
_cell_volume                     1129.3(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotor target'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0557
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10911
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_T_max  0.791
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.587
_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     142
_refine_ls_number_reflns         2566
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0646P)^2^+1.1873P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1390
_reflns_number_gt                1920
_reflns_number_total             2566
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2135.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -p2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209766
_cod_database_fobs_code          2209766