Synthesis and Structure of Dicationic, Bis(gold) π-Alkene Complexes Containing a 2,2′-Bis(phosphino)biphenyl Ligand
Brooner, Rachel E. M.; Widenhoefer, Ross A.; Organometallics 31 (2012) 768–; doi:10.1021/om200948z

data_4067943
_publ_section_title
;
 Synthesis and Structure of Dicationic, Bis(gold) \p-Alkene Complexes
 Containing a 2,2&#x2032;-Bis(phosphino)biphenyl Ligand
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              768
_journal_paper_doi               10.1021/om200948z
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C39 H65 Au2 Cl2 F12 P2 Sb2'
_chemical_formula_weight         1532.18
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.1807(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0763(6)
_cell_length_b                   15.7558(5)
_cell_length_c                   16.9063(5)
_cell_measurement_reflns_used    2769
_cell_measurement_temperature    110
_cell_measurement_theta_max      27.98
_cell_measurement_theta_min      2.41
_cell_volume                     5073.6(3)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  XL
_computing_structure_solution    XS
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker-Nonius Kappa Axis X8 Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0750
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15425
_diffrn_reflns_theta_full        30.61
_diffrn_reflns_theta_max         30.61
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    7.058
_exptl_absorpt_correction_T_max  0.6379
_exptl_absorpt_correction_T_min  0.2822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   TWINABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.006
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2924
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         6.445
_refine_diff_density_min         -3.819
_refine_diff_density_rms         0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         15425
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.1178
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0267P)^2^+200.7321P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1693
_refine_ls_wR_factor_ref         0.1817
_reflns_number_gt                9718
_reflns_number_total             15425
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200948z_si_002.cif
_cod_data_source_block           x11145
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4067943