Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes Containing Bridging 2-(Diphenylphosphino)phenyl or 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance between Gold(II)−Gold(II) and Gold(I)−Gold(III)
Bennett, Martin A.; Hockless, David C. R.; Rae, A. David; Welling, Lee L.; Willis, Anthony C.; Organometallics 20 (2001) 79–; doi:10.1021/om000773w

data_4077221
_publ_section_title
;
 Carbon&#x2212;Carbon Coupling in Dinuclear Cycloaurated Complexes
 Containing Bridging 2-(Diphenylphosphino)phenyl or
 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance
 between Gold(II)&#x2212;Gold(II) and Gold(I)&#x2212;Gold(III)
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              79
_journal_paper_doi               10.1021/om000773w
_journal_volume                  20
_journal_year                    2001
_chemical_formula_moiety         'C32 H28 Au2 F10 P2 '
_chemical_formula_sum            'C32 H28 Au2 F10 P2'
_chemical_formula_weight         1058.44
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             1999-11-15
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
2000-09-28 - Report on C32 H28 Au2 F10 P2
             by Anthony C. Willis
             for Lee L. Welling and Martin A. Bennett
2000-09-29 - passes checkcif tests with minor warnings
         (see _diffrn_measurement_device_details and _refine_special_details)

;
_cell_angle_alpha                90
_cell_angle_beta                 90.314(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.403(1)
_cell_length_b                   8.322(2)
_cell_length_c                   22.104(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      54.9
_cell_measurement_theta_min      49.3
_cell_volume                     3385.2(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_details
;
Rigaku AFC6R diffractometer with extended arm and
evacuated collimator and beam tunnel.
Data cannot be collected beyond \y 60 deg in this configuration.
;
_diffrn_measurement_device_type  'Rigaku AFC6R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.02451
_diffrn_orient_matrix_UB_12      0.03176
_diffrn_orient_matrix_UB_13      -0.03868
_diffrn_orient_matrix_UB_21      -0.04553
_diffrn_orient_matrix_UB_22      0.02450
_diffrn_orient_matrix_UB_23      0.02270
_diffrn_orient_matrix_UB_31      0.01672
_diffrn_orient_matrix_UB_32      0.11327
_diffrn_orient_matrix_UB_33      0.00593
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.02438
_diffrn_reflns_av_sigmaI/netI    0.110
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            3150
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         60.06
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        -0.40
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    17.916
_exptl_absorpt_correction_T_max  0.354
_exptl_absorpt_correction_T_min  0.103
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
analytical (de Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1992.00
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.352
_refine_ls_goodness_of_fit_ref   1.448
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     208
_refine_ls_number_reflns         1829
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.0253
_refine_ls_shift/su_mean         0.0021
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0391
_refine_ls_wR_factor_ref         0.0350
_reflns_number_gt                1829
_reflns_number_total             2527
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            om000773w.cif
_cod_data_source_block           llw17
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3384.9(7)
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C32 H28 Au2 F10 P2 '
_cod_database_code               4077221