Chiral heterobimetallic complexes of carbodiphosphoranes and phosphinidene_carbene adducts
Manuel Alcarazo; Karin Radkowski; Gerlinde Mehler; Richard Goddard; Alois Furstner; Chem.Commun. 49 (2013) 3140–; doi:10.1039/c3cc40382c

data_7109053
_publ_section_title
;
 Chiral heterobimetallic complexes of carbodiphosphoranes and
 phosphinidene_carbene adducts
;
_journal_name_full               Chem.Commun.
_journal_page_first              3140
_journal_paper_doi               10.1039/c3cc40382c
_journal_volume                  49
_journal_year                    2013
_chemical_compound_source        'dichloromethane, pentane'
_chemical_formula_moiety         'C54 H44 Au N P3, F6 Sb, C H2 Cl2'
_chemical_formula_sum            'C55 H46 Au Cl2 F6 N P3 Sb'
_chemical_formula_weight         1317.45
_chemical_name_systematic
;
(diphenyl-2-pyridyl-phosphorane)(triphenylphosphorane)idene-
triphenylphosphine-gold(i) hexafluoroantimonate dichloromethane solute
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                RKI-RF-155-04_6945
_audit_creation_date             2012-04-21
_cell_angle_alpha                63.058(2)
_cell_angle_beta                 68.541(3)
_cell_angle_gamma                83.121(3)
_cell_formula_units_Z            2
_cell_length_a                   12.0585(17)
_cell_length_b                   15.106(2)
_cell_length_c                   16.288(2)
_cell_measurement_reflns_used    7316
_cell_measurement_temperature    100
_cell_measurement_theta_max      23.2555
_cell_measurement_theta_min      2.3006
_cell_volume                     2457.8(6)
_computing_cell_refinement       'SAINT software (Bruker AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker AXS, 2008)'
_computing_data_reduction        'SAINT software (Bruker AXS, 2004)'
_computing_molecular_graphics    'DIAMOND (Crystal Impact GbR, 2005)'
_computing_structure_refinement  'SHELXL-97 (G. M. Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (G. M. Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 66.67
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker-AXS Kappa Mach3 APEX-II'
_diffrn_measurement_method       'CCD \f- and \w-scans'
_diffrn_radiation_monochromator  'Incoatec Helios mirrors'
_diffrn_radiation_source         '0.2 x 2mm^2^ focus rotating anode'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0531
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7175
_diffrn_reflns_theta_full        23.44
_diffrn_reflns_theta_max         23.44
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    3.800
_exptl_absorpt_correction_T_max  0.98694
_exptl_absorpt_correction_T_min  0.95624
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_description       plate
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.004
_refine_diff_density_max         2.368
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.835
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         7175
_refine_ls_number_restraints     252
_refine_ls_restrained_S_all      1.806
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0535
_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^)+(0.0000P)^2^+4.8475P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                5917
_reflns_number_total             7175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc40382c.txt
_cod_data_source_block           4
_cod_original_cell_volume        2457.9(6)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_sg_symbol_H-M      'p -1'
_cod_database_code               7109053