(Acetato-κ^2^<i>O</i>,<i>O</i>')(acetato-κ<i>O</i>)bis(2-amino-3-methylpyridine-κ<i>N</i>^1^)cobalt(II)
Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz; Acta Crystallographica Section E 68 (2012) m1260–m1261; doi:10.1107/S1600536812038664

data_2236731
_publ_section_title
;
 (Acetato-\k^2^<i>O</i>,<i>O</i>')(acetato-\k<i>O</i>)bis(2-amino-3-methylpyridine-\k<i>N</i>^1^)cobalt(II)
;
_journal_coeditor_code           XU5616
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1260
_journal_page_last               m1261
_journal_paper_doi               10.1107/S1600536812038664
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co (C2 H3 O2)2 (C6 H8 N2)2]'
_chemical_formula_moiety         'C16 H22 Co N4 O4'
_chemical_formula_sum            'C16 H22 Co N4 O4'
_chemical_formula_weight         393.31
_chemical_name_systematic
;
(Acetato-\k^2^<i>O</i>,<i>O</i>')(acetato-\k<i>O</i>)bis(2-amino-3-
methylpyridine-\k<i>N</i>^1^)cobalt(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                69.58(3)
_cell_angle_beta                 79.94(3)
_cell_angle_gamma                72.42(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1685(16)
_cell_length_b                   10.452(2)
_cell_length_c                   12.231(2)
_cell_measurement_reflns_used    4996
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.24
_cell_measurement_theta_min      2.15
_cell_volume                     930.1(4)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       'rotation method'
_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  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0880
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11215
_diffrn_reflns_theta_full        29.24
_diffrn_reflns_theta_max         29.24
_diffrn_reflns_theta_min         2.15
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.950
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.785
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE and X-RED32; Stoe & Cie, 2005)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             410
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.346
_refine_diff_density_min         -0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         4996
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.919
_refine_ls_R_factor_all          0.1130
_refine_ls_R_factor_gt           0.0510
_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^)+(0.0361P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0955
_reflns_number_gt                2756
_reflns_number_total             4996
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5616.cif
_cod_data_source_block           I
_cod_database_code               2236731
_cod_database_fobs_code          2236731