An Unprecedented Phosphinamidic Gold(III) Metallocycle: Synthesis via Tin(IV) Precursors, Structure, and Multicomponent Catalysis
Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre Fernández, Laura; García-Granda, Santiago; López Ortiz, Fernando; Organometallics 28 (2009) 1739–; doi:10.1021/om801137y

data_4068867
_publ_section_title
;
 An Unprecedented Phosphinamidic Gold(III) Metallocycle: Synthesis via
 Tin(IV) Precursors, Structure, and Multicomponent Catalysis
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1739
_journal_paper_doi               10.1021/om801137y
_journal_volume                  28
_journal_year                    2009
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C18 H23 Au1 Cl2 N1 O1 P1'
_chemical_formula_sum            'C18 H23 Au Cl2 N O P'
_chemical_formula_weight         568.21
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-04-21T11:20:44-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 120.004(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.6228(3)
_cell_length_b                   9.0976(1)
_cell_length_c                   15.5802(3)
_cell_measurement_reflns_used    8025
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      73.5933
_cell_measurement_theta_min      3.2705
_cell_measurement_wavelength     1.54184
_cell_volume                     2040.41(6)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
        (compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
        (compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
        (compiled Jan 10 2008,16:37:18)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.264
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_orient_matrix_UB_11      0.0158599534
_diffrn_orient_matrix_UB_12      0.0761354894
_diffrn_orient_matrix_UB_13      0.094293254
_diffrn_orient_matrix_UB_21      0.0580633391
_diffrn_orient_matrix_UB_22      -0.1320568406
_diffrn_orient_matrix_UB_23      0.0574850931
_diffrn_orient_matrix_UB_31      0.0883603657
_diffrn_orient_matrix_UB_32      0.0732020294
_diffrn_orient_matrix_UB_33      0.0055721769
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_unetI/netI     0.0189
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7982
_diffrn_reflns_theta_full        74
_diffrn_reflns_theta_max         74
_diffrn_reflns_theta_min         5.75
_exptl_absorpt_coefficient_mu    16.736
_exptl_absorpt_correction_T_max  0.708
_exptl_absorpt_correction_T_min  0.454
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
XABS2        
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.851
_refine_diff_density_rms         0.117
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.031(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.325
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3164
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.325
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0202
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+3.1612P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0681
_reflns_number_gt                3134
_reflns_number_total             3164
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801137y_si_003.cif
_cod_data_source_block           551e
_cod_database_code               4068867