Bis(2-methylbenzimidazole-κ<i>N</i>^1^)copper(I) dichlorocuprate(I)
Goreshnik, Evgeny; Schollmeyer, Dieter; Mys'kiv, Marian; Acta Crystallographica Section E 60 (2004) m279–m281; doi:10.1107/S1600536804002466

data_2203263
_publ_section_title
;
 Bis(2-methylbenzimidazole-\k<i>N</i>^1^)copper(I) dichlorocuprate(I)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m279
_journal_page_last               m281
_journal_paper_doi               10.1107/S1600536804002466
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu (C8 H8 N2)2] [Cu Cl2]'
_chemical_formula_moiety         'C16 H16 Cu N4 1+, Cl2 Cu 1-'
_chemical_formula_sum            'C16 H16 Cl2 Cu2 N4'
_chemical_formula_weight         462.31
_chemical_name_systematic        ?
_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                112.628(10)
_cell_angle_beta                 98.786(11)
_cell_angle_gamma                103.832(11)
_cell_formula_units_Z            1
_cell_length_a                   7.2510(10)
_cell_length_b                   7.4873(10)
_cell_length_c                   9.7058(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      73
_cell_measurement_theta_min      65
_cell_volume                     454.32(12)
_computing_cell_refinement       'CAD4- Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'CORINC (Dr\"ager & Gattow, 1971)'
_computing_molecular_graphics    'DIAMIND (Bergerhoff, 1996)'
_computing_publication_material  'enCIFer (CCDC, 2002)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \q/2\w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1986
_diffrn_reflns_theta_full        73.95
_diffrn_reflns_theta_max         73.95
_diffrn_reflns_theta_min         5.13
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.626
_exptl_absorpt_correction_T_max  0.3991
_exptl_absorpt_correction_T_min  0.2118
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(de Meulanear & Tompa, 1965)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_meas      1.7
_exptl_crystal_density_method    'flotation in chloroform--bromoform'
_exptl_crystal_description       block
_exptl_crystal_F_000             232
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.481
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1835
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0440
_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^)+(0.0731P)^2^+0.1751P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1217
_refine_ls_wR_factor_ref         0.1245
_reflns_number_gt                1676
_reflns_number_total             1835
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6405.cif
_cod_data_source_block           I
_cod_original_cell_volume        454.32(11)
_cod_database_code               2203263
_cod_database_fobs_code          2203263