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_4077218
_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         'C38 H34 Au2 P2 '
_chemical_formula_sum            'C38 H34 Au2 P2'
_chemical_formula_weight         946.57
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2000-10-05
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
1994-09-06  dcrh does report
2000-10-05 - Report on C38 H34 Au2 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                106.97(1)
_cell_angle_beta                 94.32(1)
_cell_angle_gamma                99.98(2)
_cell_formula_units_Z            2
_cell_length_a                   9.414(2)
_cell_length_b                   11.173(2)
_cell_length_c                   16.567(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      50.0
_cell_measurement_theta_min      49.6
_cell_volume                     1626.7(5)
_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
;
'DIRDIF92 PATTY (Beurskens, 1992)
;
_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      -0.04284
_diffrn_orient_matrix_UB_12      -0.08901
_diffrn_orient_matrix_UB_13      -0.03748
_diffrn_orient_matrix_UB_21      0.09881
_diffrn_orient_matrix_UB_22      -0.02140
_diffrn_orient_matrix_UB_23      0.00127
_diffrn_orient_matrix_UB_31      -0.01565
_diffrn_orient_matrix_UB_32      -0.02756
_diffrn_orient_matrix_UB_33      0.05147
_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  0.04658
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5017
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         60.17
_diffrn_reflns_theta_min         4.22
_diffrn_standards_decay_%        2.24
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    17.541
_exptl_absorpt_correction_T_max  0.373
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
analytical (de Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             900.00
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.73
_refine_diff_density_min         -2.54
_refine_ls_extinction_coef       0.000001663
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_ref   3.790
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4529
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.0280
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00006|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0470
_reflns_number_gt                4529
_reflns_number_total             4824
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            om000773w.cif
_cod_data_source_block           llw6
_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        1626.8(6)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C38 H34 Au2 P2 '
_cod_database_code               4077218