Bis[dichlorido(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')gold(III)] tetrachloridoaurate(III) dichloridooaurate(I)
Karaca, Selvi; Akkurt, Mehmet; Safari, Nasser; Amani, Vahid; Büyükgüngör, Orhan; Abedi, Anita; Acta Crystallographica Section E 65 (2009) m335–m336; doi:10.1107/S1600536809006436

data_2221075
_publ_section_title
;Bis[dichlorido(5,5'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')gold(III)]
 tetrachloridoaurate(III) dichloridooaurate(I)
;
_journal_coeditor_code           HB2902
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m335
_journal_page_last               m336
_journal_paper_doi               10.1107/S1600536809006436
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au Cl2 (C12 H12 N2)]2 [Au Cl4] [Au Cl2]'
_chemical_formula_moiety         '2(C12 H12 Au Cl2 N2 +), Au Cl4 -, Au Cl2 -'
_chemical_formula_sum            'C24 H24 Au4 Cl10 N4'
_chemical_formula_weight         1510.86
_chemical_name_systematic
;Bis[dichlorido(5,5'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')gold(III)]
tetrachloridoaurate(III)
 dichloridooaurate(I)
;
_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
_cell_angle_alpha                91.155(4)
_cell_angle_beta                 108.148(4)
_cell_angle_gamma                111.344(3)
_cell_formula_units_Z            1
_cell_length_a                   9.0698(4)
_cell_length_b                   10.0886(4)
_cell_length_c                   11.1678(5)
_cell_measurement_reflns_used    16778
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      1.94
_cell_volume                     894.09(7)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS-2'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9898
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    17.129
_exptl_absorpt_correction_T_max  0.341
_exptl_absorpt_correction_T_min  0.054
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.806
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             682
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.277
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.637
_refine_diff_density_min         -1.909
_refine_ls_extinction_coef       0.0042(5)
_refine_ls_extinction_expression Fc^*^=KFc[1+0.001XFc^2^\L^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+0.309P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1119
_reflns_number_gt                3193
_reflns_number_total             3651
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2902.cif
_cod_data_source_block           I
_cod_database_code               2221075
_cod_database_fobs_code          2221075