<i>catena</i>-Poly[cobalt(II)-bis(μ-3,7-dichloroquinoline-8-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')]
Zequan Li; Fengjing Wu; Yun Gong; Yunhuai Zhang; Chenguang Bai; Acta Crystallographica Section E 64 (2008) m227–m227; doi:10.1107/S1600536807066755

data_2217318
_publ_section_title
<i>catena</i>-Poly[cobalt(II)-bis(\m-3,7-dichloroquinoline-8-carboxylato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>')]
_journal_coeditor_code           SJ2456
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m227
_journal_page_last               m227
_journal_paper_doi               10.1107/S1600536807066755
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Co (C10 H4 Cl2 N O2)2]'
_chemical_formula_moiety         'C20 H8 Cl4 Co N2 O4'
_chemical_formula_sum            'C20 H8 Cl4 Co N2 O4'
_chemical_formula_weight         541.01
_chemical_name_systematic
;
catena-Poly[cobalt(II)-bis(\m-3,7-dichloroquinoline-8-carboxylato-
\k^3^<i>N</i>,<i>O</i>:<i>O</i>')] ?
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5109(14)
_cell_length_b                   15.964(2)
_cell_length_c                   9.2157(16)
_cell_measurement_reflns_used    9558
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.97
_cell_volume                     1987.7(5)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens SMART 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  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9558
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.97
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.434
_exptl_absorpt_correction_T_max  0.64
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_meas      1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.756
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         1752
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0337
_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^)+(0.0291P)^2^+3.6236P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                1404
_reflns_number_total             1752
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2456.cif
_cod_data_source_block           I
_cod_database_code               2217318
_cod_database_fobs_code          2217318