Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')gold(III) tetrachloridoaurate(III) acetonitrile solvate
Yıldırım, Sema Öztürk; Akkurt, Mehmet; Safari, Nasser; Amani, Vahid; McKee, Vickie; Abedi, Anita; Khavasi, Hamid Reza; Acta Crystallographica Section E 64 (2008) m1189–m1190; doi:10.1107/S1600536808025646

data_2219349
_publ_section_title
;Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')gold(III)
 tetrachloridoaurate(III) acetonitrile solvate
;
_journal_coeditor_code           HB2776
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1189
_journal_page_last               m1190
_journal_paper_doi               10.1107/S1600536808025646
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Au Cl2 (C9 H12 N1)2] [Au Cl4], C2 H3 N'
_chemical_formula_moiety         'C18 H24 Au Cl2 N2 +, Au Cl4 -, C2 H3 N'
_chemical_formula_sum            'C20 H27 Au2 Cl6 N3'
_chemical_formula_weight         916.09
_chemical_name_systematic
;
Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')gold(III) tetrachloroaurate(III) acetonitrile
solvate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 97.151(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7880(9)
_cell_length_b                   14.2270(19)
_cell_length_c                   14.1330(19)
_cell_measurement_reflns_used    2450
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.80
_cell_measurement_theta_min      2.86
_cell_volume                     1354.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1993)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_sigmaI/netI    0.0573
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14949
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        29.45
_diffrn_reflns_theta_max         29.45
_diffrn_reflns_theta_min         2.04
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.426
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.247
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.595
_refine_diff_density_min         -1.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         3888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0357
_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^)+(0.0318P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                2860
_reflns_number_total             3888
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2776.cif
_cod_data_source_block           I
_cod_original_cell_volume        1354.3(3)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2219349
_cod_database_fobs_code          2219349