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_4067942
_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            'C37 H62 Au2 Cl2 F12 P2 Sb2'
_chemical_formula_weight         1505.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.7610(4)
_cell_length_b                   17.2858(5)
_cell_length_c                   39.9274(12)
_cell_measurement_reflns_used    9764
_cell_measurement_temperature    110
_cell_measurement_theta_max      23.02
_cell_measurement_theta_min      2.36
_cell_volume                     9497.5(5)
_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    SIR92
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0682
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            154134
_diffrn_reflns_theta_full        28.75
_diffrn_reflns_theta_max         28.75
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    7.539
_exptl_absorpt_correction_T_max  0.7575
_exptl_absorpt_correction_T_min  0.3504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5728
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.702
_refine_diff_density_min         -3.174
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         12303
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0918
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0682P)^2^+30.5446P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1268
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                8125
_reflns_number_total             12303
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200948z_si_002.cif
_cod_data_source_block           x11043
_cod_original_sg_symbol_H-M      'P bca'
_cod_database_code               4067942