Bis(acetato-<i>O</i>)bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>]cobalt(II)
Tahir, Asif A.; Hamid, Mazhar; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.; Acta Crystallographica Section E 62 (2006) m1974–m1976; doi:10.1107/S1600536806028649

data_2209858
_publ_section_title
Bis(acetato-<i>O</i>)bis[2-(dimethylamino)ethanol-\k^2^<i>N</i>,<i>O</i>]cobalt(II)
_journal_coeditor_code           HG2056
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1974
_journal_page_last               m1976
_journal_paper_doi               10.1107/S1600536806028649
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Co (C2 H3 O2)2 (C4 H11 N O)2]'
_chemical_formula_moiety         'C12 H28 Co N2 O6'
_chemical_formula_sum            'C12 H28 Co N2 O6'
_chemical_formula_weight         355.29
_chemical_name_systematic
;
Bis(acetato-O)bis[2-(dimethylamino)ethanol-\k^2^N,O]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                95.555(5)
_cell_angle_beta                 96.244(4)
_cell_angle_gamma                109.664(4)
_cell_formula_units_Z            2
_cell_length_a                   8.3661(15)
_cell_length_b                   8.5562(16)
_cell_length_c                   12.837(2)
_cell_measurement_reflns_used    5282
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.620
_cell_measurement_theta_min      2.554
_cell_volume                     851.4(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       \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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0168
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6513
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.61
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  0.661
_exptl_absorpt_correction_T_min  0.465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(TWINABS in SAINT-Plus; Bruker, 2003)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             378
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.784
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         6513
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0304P)^2^+0.7996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.0933
_reflns_number_gt                6105
_reflns_number_total             6513
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2056.cif
_cod_data_source_block           I
_cod_database_code               2209858
_cod_database_fobs_code          2209858