Novel zwitterionic complexes arising from the coordination of an ambiphilic phosphorus-aluminum ligand to gold
Marc Devillard; Emmanuel Nicolas; Christian Appelt; Jana Backs; Sonia Mallet-Ladeira; Ghenwa; Bouhadir'; J. Chris Slootweg; Werner Uhl; Didier Bourissou; Chem.Commun. 50 (2014) 14805–; doi:10.1039/C4cc06992G

data_7115991
_publ_section_title
;
 Novel zwitterionic complexes arising from the coordination of an
 ambiphilic phosphorus-aluminum ligand to gold
;
_journal_name_full               Chem.Commun.
_journal_page_first              14805
_journal_paper_doi               10.1039/C4cc06992G
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C40 H58 Al Au Cl5 P S'
_chemical_formula_weight         1003.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                100.951(2)
_cell_angle_beta                 92.293(2)
_cell_angle_gamma                114.534(2)
_cell_formula_units_Z            2
_cell_length_a                   11.5952(6)
_cell_length_b                   11.6324(7)
_cell_length_c                   18.2333(11)
_cell_measurement_reflns_used    9029
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      30.66
_cell_measurement_theta_min      2.67
_cell_volume                     2177.0(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            50315
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         5.11
_exptl_absorpt_coefficient_mu    3.818
_exptl_absorpt_correction_T_max  0.7014
_exptl_absorpt_correction_T_min  0.3104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.235
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         12130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0219P)^2^+1.9095P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                11263
_reflns_number_total             12130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc06992g2.cif
_cod_data_source_block           3tht
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7115991