Bis(2,4-dichlorophenoxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong; Acta Crystallographica Section E 67 (2011) m493–; doi:10.1107/S1600536811010579

data_2229702
_publ_section_title
;
 Bis(2,4-dichlorophenoxyacetato-\k^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cobalt(II)
;
_journal_coeditor_code           HY2417
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m493
_journal_paper_doi               10.1107/S1600536811010579
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (C8 H5 Cl2 O3) (C12 H12 N2)]'
_chemical_formula_moiety         'C28 H22 Cl4 Co N2 O6'
_chemical_formula_sum            'C28 H22 Cl4 Co N2 O6'
_chemical_formula_weight         683.21
_chemical_name_systematic
;
Bis(2,4-dichlorophenoxyacetato-\k^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'-
dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cobalt(II)
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 112.570(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.397(2)
_cell_length_b                   8.4152(14)
_cell_length_c                   13.752(2)
_cell_measurement_reflns_used    5837
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      2.82
_cell_volume                     1431.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10343
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    1.019
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             694
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.282
_refine_diff_density_min         -0.369
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2567
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0340
_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^)+(0.0443P)^2^+1.0781P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                2229
_reflns_number_total             2567
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2417.cif
_cod_data_source_block           I
_cod_original_cell_volume        1431.7(4)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2229702
_cod_database_fobs_code          2229702