Bis[μ-bis(diphenylphosphino)methane]digold(I) bis(hexafluorophosphate) dichloromethane disolvate
Wu, Meimei; Zhang, Liyi; Chen, Zhongning; Acta Crystallographica Section E 59 (2003) m72–m73; doi:10.1107/S1600536803001120

data_2202176
_publ_section_title
;
 Bis[\m-bis(diphenylphosphino)methane]digold(I)
 bis(hexafluorophosphate) dichloromethane disolvate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m72
_journal_page_last               m73
_journal_paper_doi               10.1107/S1600536803001120
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Au2 (C25 H22 P2)2] (P F6)2, 2C2 H4 Cl4'
_chemical_formula_moiety         'C50 H44 Au2 P4 2+, 2P F6 1-, 2C1 H2 Cl2'
_chemical_formula_sum            'C52 H48 Au2 Cl4 F12 P6'
_chemical_formula_weight         1622.46
_chemical_name_common            'Au2 P6 F12 C51 H46 Cl2'
_chemical_name_systematic
;
Bis[bis(diphenylphosphino)methane)digold(I)
bishexafluorophosphatedichloromethane disolvate
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.6825(10)
_cell_length_b                   21.0325(9)
_cell_length_c                   13.2577(6)
_cell_measurement_reflns_used    4469
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      1.8
_cell_volume                     5767.2(5)
_computing_cell_refinement       'SMART and SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'XPREP in SHELXTL (Siemens, 1994)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.097
_diffrn_reflns_av_sigmaI/netI    0.081
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16736
_diffrn_reflns_theta_full        25.1
_diffrn_reflns_theta_max         25.1
_diffrn_reflns_theta_min         1.8
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.508
_exptl_absorpt_correction_T_max  .332
_exptl_absorpt_correction_T_min  .121
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          .42
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .20
_refine_diff_density_max         1.79
_refine_diff_density_min         -1.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5246
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.13
_refine_ls_R_factor_all          0.126
_refine_ls_R_factor_gt           0.066
_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^)+(0.0355P)^2^+11.5869P] where P = (Fo^2^+2Fc^2^)3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.133
_refine_ls_wR_factor_ref         0.160
_reflns_number_gt                3249
_reflns_number_total             5246
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk6088.cif
_cod_data_source_block           I
_cod_database_code               2202176
_cod_database_fobs_code          2202176