(<i>N,N</i>-Diethyldithiocarbamato)(tricyclohexylphosphine)gold(I)
Ho, Soo Yei; Tiekink, Edward R. T.; Acta Crystallographica Section E 57 (2001) m603–m604; doi:10.1107/S1600536801019833

data_2200731
_publ_section_title
;
 (<i>N,N</i>-Diethyldithiocarbamato)(tricyclohexylphosphine)gold(I)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m603
_journal_page_last               m604
_journal_paper_doi               10.1107/S1600536801019833
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Au (C5 H10 N S2) (C18 H33 P)]'
_chemical_formula_moiety         'C23 H43 Au N P S2'
_chemical_formula_sum            'C23 H43 Au N P S2'
_chemical_formula_weight         625.64
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                71.7100(10)
_cell_angle_beta                 77.9170(10)
_cell_angle_gamma                65.8030(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1697(5)
_cell_length_b                   11.7231(6)
_cell_length_c                   12.3281(6)
_cell_measurement_reflns_used    10496
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      1.8
_cell_volume                     1267.36(11)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SHELXTL (Bruker, 2000)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHEXLTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF92 PATTY (Beurskens et al., 1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full .972
_diffrn_measured_fraction_theta_max .972
_diffrn_measurement_device_type  'Bruker AXS 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     .71069
_diffrn_reflns_av_R_equivalents  .036
_diffrn_reflns_av_sigmaI/netI    .033
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10496
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         1.8
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.042
_exptl_absorpt_correction_T_max  .297
_exptl_absorpt_correction_T_min  .112
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          .39
_exptl_crystal_size_mid          .31
_exptl_crystal_size_min          .21
_refine_diff_density_max         2.08
_refine_diff_density_min         -2.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         7203
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          .044
_refine_ls_R_factor_gt           .042
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0897P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .115
_reflns_number_gt                6682
_reflns_number_total             7203
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob6095.cif
_cod_data_source_block           I
_cod_database_code               2200731
_cod_database_fobs_code          2200731