(<i>N</i>,<i>N</i>-Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I) butane solvate
Jian, Fangfang; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Acta Crystallographica Section C 56 (2000) 939–940; doi:10.1107/S0108270100007319

data_2011284
_publ_section_title
;(<i>N</i>,<i>N</i>-Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I)
 butane solvate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              939
_journal_page_last               940
_journal_paper_doi               10.1107/S0108270100007319
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Au (C7 H14 N S2) (C18 H15 P)2], C4 H10'
_chemical_formula_moiety         'C43 H44 Au1 N1 P2 S2, C4 H10'
_chemical_formula_sum            'C47 H54 Au N P2 S2'
_chemical_formula_weight         955.94
_chemical_name_systematic
;
[(Diisopropyldithiocarbamate) Bis(triphenylphosphines) Gold(I)] butane
Solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.3920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0927(2)
_cell_length_b                   25.2129(5)
_cell_length_c                   15.4999(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      1.57
_cell_volume                     4615.70(15)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL and PLATON (Spek, 1990)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full .993
_diffrn_measured_fraction_theta_max .993
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0715
_diffrn_reflns_av_sigmaI/netI    .0955
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31290
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    3.378
_exptl_absorpt_correction_T_max  .687
_exptl_absorpt_correction_T_min  .331
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          .42
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .12
_refine_diff_density_max         1.31
_refine_diff_density_min         -1.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         11360
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      .988
_refine_ls_R_factor_all          .128
_refine_ls_R_factor_gt           .052
_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^)+(0.0331P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .119
_reflns_number_gt                5735
_reflns_number_total             11360
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1392.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011284
_cod_database_fobs_code          2011284