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_7109054
_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,diethylether,hexane
_chemical_formula_moiety
'C54 H44 Au Cl Cu N P3, F6 Sb, C4 H10 O, 1.26(C H2 Cl2)'
_chemical_formula_sum            'C59.26 H56.52 Au Cl3.52 Cu F6 N O P3 Sb'
_chemical_formula_weight         1512.60
_chemical_name_systematic
;
? RKI-RF-202-02
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                RKI-RF-202-02_7057
_audit_creation_date             2012-12-07
_cell_angle_alpha                90.00
_cell_angle_beta                 114.233(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.703(8)
_cell_length_b                   11.136(3)
_cell_length_c                   38.620(11)
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.4891
_cell_measurement_theta_min      2.3132
_cell_volume                     12433(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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0946
_diffrn_reflns_av_sigmaI/netI    0.0688
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            94800
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    3.410
_exptl_absorpt_correction_T_max  0.96823
_exptl_absorpt_correction_T_min  0.73288
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_description       needle
_exptl_crystal_F_000             5959
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.884
_refine_diff_density_min         -2.679
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.319
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     734
_refine_ls_number_reflns         14815
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.319
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0516
_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^)+(0.0469P)^2^+1.9344P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1203
_reflns_number_gt                12024
_reflns_number_total             14815
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc40382c.txt
_cod_data_source_block           5
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'c 2/c'
_cod_database_code               7109054