{<i>O</i>-Ethyl (<i>Z</i>)-[4-(methoxycarbonyl)phenyl]thiocarbamato-κ<i>S</i>}(triethylphosphine-κ<i>P</i>)gold(I)–{<i>O</i>-ethyl (<i>Z</i>)-[4-(ethoxycarbonyl)phenyl]thiocarbamato-κ<i>S</i>}(triethylphosphine-κ<i>P</i>)gold(I) (1/1)
Ho, Soo Yei; Ng, Seik Weng; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m1017–m1019; doi:10.1107/S1600536807010872

data_2212884
_publ_section_title
;{<i>O</i>-Ethyl
 (<i>Z</i>)-[4-(methoxycarbonyl)phenyl]thiocarbamato-\k<i>S</i>}(triethylphosphine-\k<i>P</i>)gold(I)--{<i>O</i>-ethyl
 (<i>Z</i>)-[4-(ethoxycarbonyl)phenyl]thiocarbamato-\k<i>S</i>}(triethylphosphine-\k<i>P</i>)gold(I)
 (1/1)
;
_journal_coeditor_code           HB2304
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1017
_journal_page_last               m1019
_journal_paper_doi               10.1107/S1600536807010872
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Au (C6 H15 P) (C11 H12 N O3 S)], [Au (C6 H15 P) (C12 H14 N O3 S)]'
_chemical_formula_moiety         'C17 H27 Au N O3 P S, C18 H29 Au N O3 P S'
_chemical_formula_sum            'C35 H56 Au2 N2 O6 P2 S2'
_chemical_formula_weight         1120.81
_chemical_name_systematic
;
{O-Ethyl (Z)-[4-(methoxycarbonyl)phenyl]thiocarbamato-
\kS}(triethylphosphine-\kP)gold(I)--
{O-ethyl (Z)-[4-(ethoxycarbonyl)phenyl]thiocarbamato-
\kS}(triethylphosphine-\kP)gold(I) (1/1)
;
_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                79.678(2)
_cell_angle_beta                 79.4510(10)
_cell_angle_gamma                70.188(2)
_cell_formula_units_Z            1
_cell_length_a                   7.6246(3)
_cell_length_b                   10.3422(4)
_cell_length_c                   14.5155(5)
_cell_measurement_reflns_used    3917
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      2.7
_cell_volume                     1050.15(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and <i>DIAMOND</i> (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 0.995
_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  0.028
_diffrn_reflns_av_sigmaI/netI    0.051
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7470
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.195
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.48
_refine_diff_density_min         -1.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.00
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4806
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.036
_refine_ls_R_factor_gt           0.031
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0402P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.076
_refine_ls_wR_factor_ref         0.078
_reflns_number_gt                4294
_reflns_number_total             4806
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2304.cif
_cod_data_source_block           I
_cod_database_code               2212884
_cod_database_fobs_code          2212884