[μ-Bis(diphenylphosphanyl)acetonitrile-κ^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]
Sithole, Sicelo V.; Staples, Richard J.; van Zyl, Werner E.; Acta Crystallographica Section E 67 (2011) m64–; doi:10.1107/S1600536810049834

data_2228706
_publ_section_title
;
 [\m-Bis(diphenylphosphanyl)acetonitrile-\k^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]
;
_journal_coeditor_code           FJ2370
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m64
_journal_paper_doi               10.1107/S1600536810049834
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Au2 Cl2 (C26 H21 N P2)]'
_chemical_formula_moiety         'C26 H21 Au2 Cl2 N P2'
_chemical_formula_sum            'C26 H21 Au2 Cl2 N P2'
_chemical_formula_weight         874.21
_chemical_name_systematic
;
[\m-Bis(diphenylphosphanyl)acetonitrile-
\k^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9062(8)
_cell_length_b                   12.6837(7)
_cell_length_c                   14.7938(8)
_cell_measurement_reflns_used    9778
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.29
_cell_measurement_theta_min      2.57
_cell_volume                     2609.4(3)
_computing_cell_refinement       'APEX2 (Bruker, 2009)'
_computing_data_collection       'COSMO (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w and \f 0.5\%'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            35892
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    11.575
_exptl_absorpt_correction_T_max  0.2159
_exptl_absorpt_correction_T_min  0.1889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.812
_refine_ls_abs_structure_details 'Flack (1983), 2283 Friedel pairs'
_refine_ls_abs_structure_Flack   0.014(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4770
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0249
_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^)+(0.0110P)^2^+3.9118P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0632
_reflns_number_gt                4621
_reflns_number_total             4770
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fj2370.cif
_cod_data_source_block           I
_cod_database_code               2228706
_cod_database_fobs_code          2228706