Bis[4-(dimethylamino)pyridinium] tetrachloridocuprate(II)
Bouacida, Sofiane; Bouchene, Rafika; Khadri, Amina; Belhouas, Ratiba; Merazig, Hocine; Acta Crystallographica Section E 69 (2013) m610–m611; doi:10.1107/S1600536813028006

data_2238699
_publ_section_title
;
 Bis[4-(dimethylamino)pyridinium] tetrachloridocuprate(II)
;
_journal_coeditor_code           BQ2389
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m610
_journal_page_last               m611
_journal_paper_doi               10.1107/S1600536813028006
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C7 H11 N2)2 [Cu Cl4]'
_chemical_formula_moiety         '2(C7 H11 N2 +), Cl4 Cu 2-'
_chemical_formula_sum            'C14 H22 Cl4 Cu N4'
_chemical_formula_weight         451.71
_chemical_name_systematic
;
Bis[4-(dimethylamino)pyridinium] tetrachloridocuprate(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 115.0230(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3750(8)
_cell_length_b                   12.1901(8)
_cell_length_c                   14.1713(9)
_cell_measurement_reflns_used    6282
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      34.73
_cell_measurement_theta_min      2.47
_cell_volume                     1937.1(2)
_computing_cell_refinement       'SAINT (Bruker, 2011)'
_computing_data_collection       'APEX2 (Bruker, 2011)'
_computing_data_reduction        'SAINT (Bruker, 2011)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg & Berndt, 2001)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0168
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12787
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         34.73
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    1.682
_exptl_absorpt_correction_T_max  0.7468
_exptl_absorpt_correction_T_min  0.6753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2002)
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         3895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0213
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0283P)^2^+0.9756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0565
_refine_ls_wR_factor_ref         0.0594
_reflns_number_gt                3389
_reflns_number_total             3895
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            bq2389.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2238699