Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride
Zeghouan, Ouahida; Guenifa, Fatiha; Hadjadj, Nasreddine; Bendjeddou, Lamia; Merazig, Hocine; Acta Crystallographica Section E 69 (2013) m439–m440; doi:10.1107/S1600536813018321

data_2238452
_publ_section_title
;
 Diaquabis[2-(2-hydroxyethyl)pyridine-\k^2^<i>N</i>,<i>O</i>]cobalt(II)
 dichloride
;
_journal_coeditor_code           XU5717
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m439
_journal_page_last               m440
_journal_paper_doi               10.1107/S1600536813018321
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Co (C7 H9 N O)2 (H2 O)2] Cl2'
_chemical_formula_moiety         'C14 H22 Co N2 O4 2+, 2(Cl -)'
_chemical_formula_structural     'C14 H22 Cl2 Co N2 O4'
_chemical_formula_sum            'C14 H22 Cl2 Co N2 O4'
_chemical_formula_weight         412.17
_chemical_name_systematic
;
Diaquabis[2-(2-hydroxyethyl)pyridine-\k^2^<i>N</i>,<i>O</i>]cobalt(II)
dichloride
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8911(3)
_cell_length_b                   8.0049(2)
_cell_length_c                   16.8757(4)
_cell_measurement_reflns_used    1536
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      3.23
_cell_volume                     1741.44(7)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material
;
WinGX (Farrugia, 2012), Mercury (Macrae <i>et al.</i>, 2006) and
POV-RAY (Persistence of Vision Team, 2004)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'Bruker APEXII'
_diffrn_measurement_method       \f
_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  0.0152
_diffrn_reflns_av_sigmaI/netI    0.0113
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9407
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         3.85
_exptl_absorpt_coefficient_mu    1.312
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' pink'
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       ' prism'
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.213
_refine_diff_density_min         -0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.224
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0198
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0293P)^2^+0.7255P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0562
_reflns_number_gt                1419
_reflns_number_total             1535
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5717.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C14 H22 Cl2 Co N2 O4 '
_cod_database_code               2238452
_cod_database_fobs_code          2238452