(μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κ<i>N</i>,<i>O</i>:<i>O</i>)-dichlorido(ethanol-κ<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine-κ^2^<i>N</i>,<i>N</i>']dicobalt(II)
Chen, Lei; Acta Crystallographica Section E 68 (2012) m1365–m1366; doi:10.1107/S1600536812041736

data_2236703
_publ_section_title
;
 (\m~2~-Chlorido)-(\m~2~-pyridine-2-carboxylato-1:2\k<i>N</i>,<i>O</i>:<i>O</i>)-dichlorido(ethanol-\k<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine-\k^2^<i>N</i>,<i>N</i>']dicobalt(II)
;
_journal_coeditor_code           WM2687
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1365
_journal_page_last               m1366
_journal_paper_doi               10.1107/S1600536812041736
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Co2 Cl3 (C6 H4 N O2) (C6 H6 N2 O)2 (C2 H6 O)]'
_chemical_formula_moiety         'C20 H22 Cl3 Co2 N5 O5'
_chemical_formula_sum            'C20 H22 Cl3 Co2 N5 O5'
_chemical_formula_weight         636.64
_chemical_name_systematic
;
(\m~2~-Chlorido)-(\m~2~-pyridine-2-carboxylato-1:2\k<i>N</i>,<i>O</i>:<i>O</i>)
-dichlorido(ethanol-\k<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine-
\k^2^<i>N</i>,<i>N</i>']dicobalt(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 99.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7443(17)
_cell_length_b                   18.144(4)
_cell_length_c                   16.643(3)
_cell_measurement_reflns_used    3510
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.30
_cell_measurement_theta_min      2.64
_cell_volume                     2606.3(9)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker 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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17261
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    1.620
_exptl_absorpt_correction_T_max  0.7272
_exptl_absorpt_correction_T_min  0.6421
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.086
_refine_diff_density_min         -1.309
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4520
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1652
_reflns_number_gt                3778
_reflns_number_total             4520
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm2687.cif
_cod_data_source_block           I
_cod_original_cell_volume        2606.4(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236703
_cod_database_fobs_code          2236703