Stereoselective synthesis and reaction of gold(I) (Z)-enethiolates
Kazunori Miyamoto; Masaya Hirobe; Masanobu Uchiyama; Masahito Ochiai; Chem.Commun. 51 (2015) 7962–; doi:10.1039/C5cc02000J

data_7117068
_publ_section_title
;
 Stereoselective synthesis and reaction of gold(I) (Z)-enethiolates
;
_journal_name_full               Chem.Commun.
_journal_page_first              7962
_journal_paper_doi               10.1039/C5cc02000J
_journal_volume                  51
_journal_year                    2015
_chemical_compound_source        no
_chemical_formula_moiety         'C32 H47 Au N2 S'
_chemical_formula_sum            'C32 H47 Au N2 S'
_chemical_formula_weight         688.76
_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_doi                 10.5517/cc13gllr
_audit_update_record
;
2014-09-29 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                74.9336(14)
_cell_angle_beta                 82.8296(13)
_cell_angle_gamma                77.8418(13)
_cell_formula_units_Z            2
_cell_length_a                   9.6005(4)
_cell_length_b                   11.3245(5)
_cell_length_c                   15.2126(7)
_cell_measurement_reflns_used    22972
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.14
_cell_volume                     1556.94(12)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24549
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.830
_exptl_absorpt_correction_T_max  0.381
_exptl_absorpt_correction_T_min  0.317
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             696.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: AcOEt, hexane'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.300
_refine_diff_density_min         -1.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     372
_refine_ls_number_reflns         7066
_refine_ls_R_factor_gt           0.0251
_refine_ls_shift/su_max          0.037
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0020Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1063
_reflns_number_gt                6787
_reflns_number_total             7077
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c5cc02000j2.cif
_cod_data_source_block           mh994-2
_cod_database_code               7117068