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_4077220
_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         'C48 H28 Au2 F10 P2 '
_chemical_formula_sum            'C48 H28 Au2 F10 P2'
_chemical_formula_weight         1250.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2000-10-05
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
1998 - Report on C48 H28 Au2 F10 P2
             by David C. R. Hockless
             for Lee L. Welling and Martin A. Bennett
2000-10-05 - passes checkcif tests with minor warnings
              ** data weak

;
_cell_angle_alpha                90
_cell_angle_beta                 90.76(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.588(6)
_cell_length_b                   12.275(5)
_cell_length_c                   21.166(4)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      8.0
_cell_measurement_theta_min      5.9
_cell_volume                     4309(2)
_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_type  'Rigaku AFC6S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00657
_diffrn_orient_matrix_UB_12      -0.01347
_diffrn_orient_matrix_UB_13      -0.04624
_diffrn_orient_matrix_UB_21      -0.05291
_diffrn_orient_matrix_UB_22      0.03641
_diffrn_orient_matrix_UB_23      -0.00872
_diffrn_orient_matrix_UB_31      0.02814
_diffrn_orient_matrix_UB_32      0.07162
_diffrn_orient_matrix_UB_33      -0.00426
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.04681
_diffrn_reflns_av_sigmaI/netI    0.120
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8332
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        -2.74
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.977
_exptl_absorpt_correction_T_max  0.497
_exptl_absorpt_correction_T_min  0.386
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2376.00
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.67
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.291
_refine_ls_goodness_of_fit_ref   1.485
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     559
_refine_ls_number_reflns         3500
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1583
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0329
_refine_ls_wR_factor_ref         0.0244
_reflns_number_gt                3500
_reflns_number_total             7650
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            om000773w.cif
_cod_data_source_block           LLW9
_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_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C48 H28 Au2 F10 P2 '
_cod_database_code               4077220