4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<i>N</i>]cobaltate(II)
Guenifa, Fatiha; Hadjadj, Nasreddine; Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Acta Crystallographica Section E 69 (2013) m379–m380; doi:10.1107/S1600536813015602

data_2238273
_publ_section_title
;
 4-(Dimethylamino)pyridinium
 trichlorido[4-(dimethylamino)pyridine-\k<i>N</i>]cobaltate(II)
;
_journal_coeditor_code           VM2195
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m379
_journal_page_last               m380
_journal_paper_doi               10.1107/S1600536813015602
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C7 H11 N2) [Co Cl3 (C7 H10 N2)]'
_chemical_formula_moiety         'C7 H11 N2 +, C7 H10 Cl3 Co N2 -'
_chemical_formula_structural     'C14 H21 Cl3 Co N4'
_chemical_formula_sum            'C14 H21 Cl3 Co N4'
_chemical_formula_weight         410.63
_chemical_name_systematic
;
4-(Dimethylamino)pyridinium
trichlorido[4-(dimethylamino)pyridine-\k<i>N</i>]cobaltate(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'
_cell_angle_alpha                79.732(2)
_cell_angle_beta                 89.983(2)
_cell_angle_gamma                67.889(2)
_cell_formula_units_Z            2
_cell_length_a                   7.7468(2)
_cell_length_b                   8.4036(2)
_cell_length_c                   15.4765(4)
_cell_measurement_reflns_used    3230
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      2.67
_cell_volume                     916.02(4)
_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
<i>POVRay</i>
(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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.012
_diffrn_reflns_av_sigmaI/netI    0.0145
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7932
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    1.375
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' Blue'
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       ' prism'
_exptl_crystal_F_000             422
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.312
_refine_diff_density_min         -0.239
_refine_ls_extinction_method     ' none'
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3230
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0266P)^2^+0.4298P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0526
_refine_ls_wR_factor_ref         0.0541
_reflns_number_gt                2982
_reflns_number_total             3230
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2195.cif
_cod_data_source_block           I
_cod_database_code               2238273
_cod_database_fobs_code          2238273