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_4077223
_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         'C22 H28 Au2 N2 P2 S2 '
_chemical_formula_sum            'C22 H28 Au2 N2 P2 S2'
_chemical_formula_weight         840.48
_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'
_audit_creation_date             1996-12-03
_audit_creation_method           'by teXsan v1.7'
_audit_update_record
;
1996-12-03  acw does written report
2000-10-06 - Report on C22 H28 Au2 N2 P2 S2
             by Anthony C. Willis
             for Lee L. Welling and Martin A. Bennett
2000-10-06 - passes checkcif tests with minor warnings
              ** disorder, some H atoms not located
;
_cell_angle_alpha                90
_cell_angle_beta                 99.86(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.685(3)
_cell_length_b                   23.091(7)
_cell_length_c                   11.999(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      18.1
_cell_measurement_theta_min      14.4
_cell_volume                     2643.8(15)
_computing_cell_refinement       xtal_LATCON
_computing_data_collection       'Philips PW1100/20 software 1976'
_computing_data_reduction        xtal_DIFDAT_ABSORB_ADDREF
_computing_publication_material  'teXsan (MSC, 1995)'
_computing_structure_refinement  'teXsan (MSC, 1995)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Philips PW1100/20'
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_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  0.04459
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6541
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.50
_diffrn_standards_decay_%        7
_diffrn_standards_interval_count 180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.416
_exptl_absorpt_correction_T_max  0.258
_exptl_absorpt_correction_T_min  0.139
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
analytical (de Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.111
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1576.00
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.00
_refine_diff_density_min         -1.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.484
_refine_ls_goodness_of_fit_ref   1.660
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    1
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3480
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.0144
_refine_ls_shift/su_mean         0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.0001|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0509
_refine_ls_wR_factor_ref         0.0423
_reflns_number_gt                3480
_reflns_number_total             6271
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            om000773w.cif
_cod_data_source_block           llw10_from_pw1100/20
_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        2644(1)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C22 H28 Au2 N2 P2 S2 '
_cod_database_code               4077223