Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]cobalt(II)
Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir; Acta Crystallographica Section C 62 (2006) m398–m400; doi:10.1107/S0108270106026916

data_2015585
_publ_section_title
;Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone
 bis(<i>O</i>-methyloxime)-\k^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]cobalt(II)
;
_journal_coeditor_code           SQ3032
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m398
_journal_page_last               m400
_journal_paper_doi               10.1107/S0108270106026916
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Co Cl2 (C11 H15 N3 O2)]'
_chemical_formula_moiety         'C11 H15 Cl2 Co N3 O2'
_chemical_formula_sum            'C11 H15 Cl2 Co N3 O2'
_chemical_formula_weight         351.09
_chemical_name_systematic
;
Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone
bis(O-methyl oxime)-\k^3^N^1^,N^2^,N^6^]cobalt(II)
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                   18.0255(11)
_cell_length_b                   7.6426(5)
_cell_length_c                   10.7325(8)
_cell_measurement_reflns_used    8301
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      1.90
_cell_volume                     1478.53(17)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe IPDS-2'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9341
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.21
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.522
_exptl_absorpt_correction_T_max  0.9255
_exptl_absorpt_correction_T_min  0.5639
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.202
_refine_diff_density_min         -0.338
_refine_ls_extinction_coef       0.0037(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     117
_refine_ls_number_reflns         1406
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0242
_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^)+(0.0402P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0607
_reflns_number_gt                1161
_reflns_number_total             1406
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3032.cif
_cod_data_source_block           I
_cod_database_code               2015585
_cod_database_fobs_code          2015585