{(<i>Z</i>)-<i>O</i>-Ethyl <i>N</i>-[4-(methoxycarbonyl)phenyl]thiocarbamato-κ<i>S</i>}(tricyclohexylphosphine-κ<i>P</i>)gold(I)
Ho, Soo Yei; Ng, Seik Weng; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m1211–m1213; doi:10.1107/S1600536807013268

data_2213329
_publ_section_title
;{(<i>Z</i>)-<i>O</i>-Ethyl
 <i>N</i>-[4-(methoxycarbonyl)phenyl]thiocarbamato-\k<i>S</i>}(tricyclohexylphosphine-\k<i>P</i>)gold(I)
;
_journal_coeditor_code           HB2336
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1211
_journal_page_last               m1213
_journal_paper_doi               10.1107/S1600536807013268
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Au (C11 H12 N O3 S) (C18 H33 P1)]'
_chemical_formula_moiety         'C29 H45 Au N O3 P S'
_chemical_formula_sum            'C29 H45 Au N O3 P S'
_chemical_formula_weight         715.66
_chemical_name_systematic
;
[(Z)-O-Ethyl N-[4-(methoxycarbonyl)phenyl]thiocarbamato-
\kS](tricyclohexylphosphine-\kP)gold(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 96.8370(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.2963(8)
_cell_length_b                   9.1081(4)
_cell_length_c                   22.2657(11)
_cell_measurement_reflns_used    8215
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.4
_cell_volume                     3080.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens <i>et al.</i>,  1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.039
_diffrn_reflns_av_sigmaI/netI    0.042
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            21294
_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    4.925
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.27
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         7060
_refine_ls_number_restraints     116
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.036
_refine_ls_R_factor_gt           0.028
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0359P)^2^+0.2378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.069
_refine_ls_wR_factor_ref         0.071
_reflns_number_gt                6020
_reflns_number_total             7060
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2336.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2213329
_cod_database_fobs_code          2213329