[(<i>Z</i>)-<i>O</i>-Ethyl-<i>N</i>-(<i>p</i>-tolyl)thiocarbamato-κ<i>S</i>](triphenylphosphine)-κ<i>P</i>]gold(I)
Tadbuppa, Primjira P.; Tiekink, Edward R. T.; Acta Crystallographica Section E 65 (2009) m1587–; doi:10.1107/S1600536809047618

data_2224357
_publ_section_title
'[(<i>Z</i>)-<i>O</i>-Ethyl-<i>N</i>-(<i>p</i>-tolyl)thiocarbamato-\k<i>S</i>](triphenylphosphine)-\k<i>P</i>]gold(I)'
_journal_coeditor_code           LH2951
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1587
_journal_paper_doi               10.1107/S1600536809047618
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au (C10 H12 N O S) (C18 H15 P)]'
_chemical_formula_moiety         'C28 H27 Au N O P S'
_chemical_formula_sum            'C28 H27 Au N O P S'
_chemical_formula_weight         653.50
_chemical_name_systematic
;
[(<i>Z</i>)-<i>O</i>-Ethyl-<i>N</i>-(<i>p</i>-tolyl)thiocarbamato-
\k<i>S</i>](triphenylphosphine)-\k<i>P</i>]gold(I)
;
_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                65.4820(10)
_cell_angle_beta                 89.7650(10)
_cell_angle_gamma                80.6350(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6676(5)
_cell_length_b                   12.1397(6)
_cell_length_c                   13.2378(7)
_cell_measurement_reflns_used    6912
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      2.4
_cell_volume                     1247.30(12)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'<i>PATTY</i> in DIRDIF92 (Beurskens <i>et al.</i>,  1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8852
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.066
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.311
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.41
_refine_diff_density_min         -0.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5702
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.04
_refine_ls_R_factor_all          0.027
_refine_ls_R_factor_gt           0.025
_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^)+(0.0515P)^2^+0.0366P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.074
_refine_ls_wR_factor_ref         0.074
_reflns_number_gt                5380
_reflns_number_total             5702
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2951.cif
_cod_data_source_block           I
_cod_database_code               2224357
_cod_database_fobs_code          2224357