μ-Bis(diphenylarsino)methane-κ^2^<i>As</i>:<i>As</i>'-bis[chloridogold(I)]
Monkowius, Uwe; Zabel, Manfred; Yersin, Hartmut; Acta Crystallographica Section E 65 (2009) m281–; doi:10.1107/S1600536809004802

data_2221146
_publ_section_title
;
 \m-Bis(diphenylarsino)methane-\k^2^<i>As</i>:<i>As</i>'-bis[chloridogold(I)]
;
_journal_coeditor_code           NC2133
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m281
_journal_paper_doi               10.1107/S1600536809004802
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au2 Cl2 (C25 H22 As2)]'
_chemical_formula_moiety         'C25 H22 As2 Au2 Cl2'
_chemical_formula_sum            'C25 H22 As2 Au2 Cl2'
_chemical_formula_weight         937.11
_chemical_name_systematic
;
\m-Bis(diphenylarsino)methane-\k^2^<i>As</i>:<i>As</i>'-bis[chloridogold(I)]
;
_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
_cell_angle_alpha                90
_cell_angle_beta                 120.342(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.7171(18)
_cell_length_b                   7.3151(6)
_cell_length_c                   18.2047(15)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.85
_cell_measurement_theta_min      2.08
_cell_volume                     2610.8(4)
_computing_cell_refinement       'IPDS Software (Stoe & Cie, 1998)'
_computing_data_collection       'IPDS Software (Stoe & Cie, 1998)'
_computing_data_reduction        'IPDS Software (Stoe & Cie, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      173.0(10)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       rotation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12353
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        26.85
_diffrn_reflns_theta_max         26.85
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.957
_exptl_absorpt_correction_T_max  0.083
_exptl_absorpt_correction_T_min  0.051
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
[from crystal shape; <i>X-SHAPE</i> and <i>X-RED</i> in <i>IPDS Software</i>
(Stoe & Cie, 1998)]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.646
_refine_diff_density_min         -0.704
_refine_ls_extinction_coef       0.00085(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001Fc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0231
_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^)+(0.0315P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0547
_reflns_number_gt                2431
_reflns_number_total             2790
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            nc2133.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2221146
_cod_database_fobs_code          2221146