Reactions of the Unsaturated Complex [Mo2(η5-C5H5)2(μ-PEt2)2(CO)2] with [Au(PR3)]+ Cations: Kinetic Preference of the Mo-P Bonds as the Site of Attack of the Gold(I) Electrophile
M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; M. Eugenia Martínez; Miguel A. Ruiz; Inorganic Chemistry 48 (2009) 9767–9778; doi:10.1021/ic901340w

data_4303403
_publ_section_title
;
Reactions of the Unsaturated Complex [Mo2(\h5-C5H5)2(\m-PEt2)2(CO)2] with
[Au(PR3)]+ Cations: Kinetic Preference of the Mo-P Bonds as the Site of
Attack of the Gold(I) Electrophile
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9767
_journal_page_last               9778
_journal_paper_doi               10.1021/ic901340w
_journal_volume                  48
_journal_year                    2009
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C24 H39 Au Mo2 O3 P3, F6 P'
_chemical_formula_sum            'C24 H39 Au F6 Mo2 O3 P4'
_chemical_formula_weight         1002.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2009-07-01T12:32:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 98.835(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.842(2)
_cell_length_b                   10.2900(18)
_cell_length_c                   26.454(5)
_cell_measurement_reflns_used    1479
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.67
_cell_measurement_wavelength     0.71073
_cell_volume                     3185.3(10)
_computing_cell_refinement       'Brucker Smart'
_computing_data_collection       'Brucker Smart'
_computing_data_reduction        'Brucker Smart'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Smart-CCD-1000 BRUKER'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            36473
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    5.632
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER Sadabs'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.09
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.551
_refine_diff_density_min         -1.543
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6545
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.037
_refine_ls_R_factor_gt           0.029
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0269P)^2^+7.0389P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                5499
_reflns_number_total             6545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901340w_si_002_2.cif
_cod_data_source_block           compound3b
_cod_database_code               4303403