Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center
Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis; Journal of the American Chemical Society 118 (1996) 10469–10478; doi:10.1021/ja961511h

data_4117193
_publ_section_title
;
 Dinuclear Cycloaurated Complexes Containing Bridging
 (2-Diphenylphosphino)phenylphosphine and
 (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon
 Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10469
_journal_page_last               10478
_journal_paper_doi               10.1021/ja961511h
_journal_volume                  118
_journal_year                    1996
_chemical_formula_moiety         'C20 H28 Au2 I2 P2 '
_chemical_formula_sum            'C20 H28 Au2 I2 P2'
_chemical_formula_weight         978.13
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_audit_creation_date             'Wed May  8 10:59:22 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.984(3)
_cell_length_b                   9.064(4)
_cell_length_c                   18.047(3)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      25.7
_cell_measurement_theta_min      12.1
_cell_volume                     2614.6(13)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       AFC6S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.00409
_diffrn_orient_matrix_UB_12      0.01174
_diffrn_orient_matrix_UB_13      -0.05498
_diffrn_orient_matrix_UB_21      0.00130
_diffrn_orient_matrix_UB_22      -0.10966
_diffrn_orient_matrix_UB_23      -0.00598
_diffrn_orient_matrix_UB_31      -0.06242
_diffrn_orient_matrix_UB_32      -0.00305
_diffrn_orient_matrix_UB_33      0.00348
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            2656
_diffrn_reflns_theta_max         25.05
_diffrn_standards_decay_%        -2.38
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.639
_exptl_absorpt_correction_T_max  0.507
_exptl_absorpt_correction_T_min  0.447
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.485
_exptl_crystal_description       prism
_exptl_crystal_F_000             1768.00
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.059
_refine_diff_density_max         1.38
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.749
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         1625
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0337
_refine_ls_shift/esd_max         0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0207
_reflns_number_observed          1625
_reflns_number_total             2656
_reflns_observed_criterion       3.00
_cod_data_source_file            ja961511h_2.cif
_cod_data_source_block           LLW5
_cod_original_cell_volume        2614(1)
_cod_original_sg_symbol_H-M      'P n a 21 '
_cod_original_formula_sum        'C20 H28 Au2 I2 P2 '
_cod_database_code               4117193