[(<i>Z</i>)-<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>](triethylphosphine-κ<i>P</i>)gold(I)
Ho, Soo Yei; Tiekink, Edward R. T.; Acta Crystallographica Section E 65 (2009) m1446–m1447; doi:10.1107/S1600536809043499

data_2223914
_publ_section_title
;[(<i>Z</i>)-<i>O</i>-Ethyl
 <i>N</i>-(4-nitrophenyl)thiocarbamato-\k<i>S</i>](triethylphosphine-\k<i>P</i>)gold(I)
;
_journal_coeditor_code           LH2932
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1446
_journal_page_last               m1447
_journal_paper_doi               10.1107/S1600536809043499
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au (C9 H9 N2 O3 S) (C6 H15 P)]'
_chemical_formula_moiety         'C15 H24 Au N2 O3 P S'
_chemical_formula_sum            'C15 H24 Au N2 O3 P S'
_chemical_formula_weight         540.36
_chemical_name_systematic
;
[(<i>Z</i>)-<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-
\k<i>S</i>](triethylphosphine-\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                114.223(2)
_cell_angle_beta                 109.374(2)
_cell_angle_gamma                95.197(2)
_cell_formula_units_Z            4
_cell_length_a                   11.5340(6)
_cell_length_b                   13.7656(7)
_cell_length_c                   14.5177(8)
_cell_measurement_reflns_used    2986
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2.4
_cell_volume                     1912.96(18)
_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  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens <i>et al.</i>,  1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.033
_diffrn_reflns_av_sigmaI/netI    0.075
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13599
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.7
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.897
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2000)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.876
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.64
_refine_diff_density_min         -0.90
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.95
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         8710
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.95
_refine_ls_R_factor_all          0.065
_refine_ls_R_factor_gt           0.040
_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^)+(0.0239P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.077
_refine_ls_wR_factor_ref         0.086
_reflns_number_gt                6224
_reflns_number_total             8710
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2932.cif
_cod_data_source_block           I
_cod_original_cell_volume        1912.95(17)
_cod_database_code               2223914
_cod_database_fobs_code          2223914