Diaquadichloridobis(pyridine-κ<i>N</i>)cobalt(II)
Kannan, P.S.; Ganeshraja, A. S.; Anbalagan, K.; Govindan, E.; SubbiahPandi, A.; Acta Crystallographica Section E 69 (2013) m508–m509; doi:10.1107/S1600536813022484

data_2238478
_publ_section_title
;
 Diaquadichloridobis(pyridine-\k<i>N</i>)cobalt(II)
;
_journal_coeditor_code           FB2288
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m508
_journal_page_last               m509
_journal_paper_doi               10.1107/S1600536813022484
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Co Cl2 (C5 H5 N)2 (H2 O)2]'
_chemical_formula_moiety         'C10 H14 Cl2 Co N2 O2'
_chemical_formula_sum            'C10 H14 Cl2 Co N2 O2'
_chemical_formula_weight         324.06
_chemical_name_systematic
;
Diaquadichloridobis(pyridine-\k<i>N</i>)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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.734(2)
_cell_angle_beta                 102.621(3)
_cell_angle_gamma                97.031(2)
_cell_formula_units_Z            1
_cell_length_a                   6.2028(2)
_cell_length_b                   6.59710(10)
_cell_length_c                   8.5963(2)
_cell_measurement_reflns_used    2211
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      2.6
_cell_volume                     315.649(15)
_computing_cell_refinement
'<i>CrysAlis RED</i> (Oxford Diffraction, 2009)'
_computing_data_collection
'<i>CrysAlis CCD</i> (Oxford Diffraction, 2009)'
_computing_data_reduction
'<i>CrysAlis RED</i> (Oxford Diffraction, 2009)'
_computing_molecular_graphics    '<i>ORTEP-3 for Windows</i> (Farrugia, 2012)'
_computing_publication_material
;
<i>SHELXL97</i> (Sheldrick, 2008) and <i>PLATON</i> (Spek, 2009)
and
<i>TwinRotMat</i> (Bolte (2004)
;
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2211
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.7
_diffrn_reflns_theta_min         2.6
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.77
_exptl_absorpt_correction_T_max  0.618
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>CrysAlis PRO</i>; Oxford Diffraction, 2009)
;
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             165
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.991
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    22
_refine_ls_number_parameters     88
_refine_ls_number_reflns         2211
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0474
_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^)+(0.0878P)^2^+0.6139P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                1926
_reflns_number_total             2211
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fb2288.cif
_cod_data_source_block           I
_cod_original_cell_volume        315.650(10)
_cod_database_code               2238478
_cod_database_fobs_code          2238478