[<i>cis</i>-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~]·THF, featuring the shortest known separation between two Au metal centres in a heteronuclear Au~2~<i>M</i> cluster
Esterhuysen, Matthias W.; Raubenheimer, Helgard G.; Acta Crystallographica Section C 59 (2003) m286–m288; doi:10.1107/S0108270103010370

data_2013401
_publ_section_title
;
 [<i>cis</i>-{\h^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~]&#x00B7;THF,
 featuring the shortest known separation between two Au metal centres
 in a heteronuclear Au~2~<i>M</i> cluster
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m286
_journal_page_last               m288
_journal_paper_doi               10.1107/S0108270103010370
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Ag2 Cr (C18 H15P)3  (C O)4], C4 H8 O'
_chemical_formula_moiety         'C58 H45 Au2 Cr O4 P3, C4 H8 O'
_chemical_formula_sum            'C62 H53 Au2 Cr O5 P3'
_chemical_formula_weight         1417.01
_chemical_name_common
'cis-{\h^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~ tetrahydrofuran solvate'
_chemical_name_systematic
;
tetracarbonyl-1\k^4^C-tris(triphenylphosphino)-1\kP,2\kP,3\kP-triangulo-
chromiumdisilver(Au---Au)(2 Cr---Au) tetrahydrofuran solvate
;
_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                87.1470(10)
_cell_angle_beta                 88.0620(10)
_cell_angle_gamma                81.0730(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4841(2)
_cell_length_b                   13.5642(3)
_cell_length_c                   17.5171(4)
_cell_measurement_reflns_used    5717
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     2691.35(10)
_computing_cell_refinement       'DENZO--SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999) '
_computing_data_reduction        DENZO--SMN
_computing_molecular_graphics    'ORTEP-3 for Windows (Faruggia, 1997)'
_computing_publication_material  'WinGX (Faruggia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \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  0.025
_diffrn_reflns_av_sigmaI/netI    0.064
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14365
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    5.775
_exptl_absorpt_correction_T_max  0.375
_exptl_absorpt_correction_T_min  0.169
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(DENZO--SMN; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'monoclinic prism'
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.131
_refine_diff_density_min         -0.984
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.99
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         10345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.99
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0306
_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^)+(0.0107P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0522
_refine_ls_wR_factor_ref         0.0574
_reflns_number_gt                7951
_reflns_number_total             10345
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bm1531.cif
_cod_data_source_block           I
_cod_database_code               2013401
_cod_database_fobs_code          2013401