Bis(μ-Diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>')-bis[(<i>O</i>-ethyl <i>N</i>-phenylthiocarbamato-κ<i>S</i>)gold(I)]
Ho, Soo Yei; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m1128–m1129; doi:10.1107/S1600536807012755

data_2212906
_publ_section_title
;
 Bis(\m-Diphenylphosphino)ethane-\k^2^<i>P</i>:<i>P</i>')-bis[(<i>O</i>-ethyl
 <i>N</i>-phenylthiocarbamato-\k<i>S</i>)gold(I)]
;
_journal_coeditor_code           HB2333
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1128
_journal_page_last               m1129
_journal_paper_doi               10.1107/S1600536807012755
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Au2 (C9 H10 N O S)2 (C26 H24 P2)]'
_chemical_formula_moiety         'C44 H44 Au2 N2 O2 P2 S2'
_chemical_formula_sum            'C44 H44 Au2 N2 O2 P2 S2'
_chemical_formula_weight         1152.80
_chemical_name_systematic
;
Bis(\m-Diphenylphosphino)ethane-\k^2^P:P')-bis[(O-ethyl
N-phenylthiocarbamato-\kS)gold(I)]
;
_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'
_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                 95.1780(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3904(4)
_cell_length_b                   24.4688(13)
_cell_length_c                   10.0555(5)
_cell_measurement_reflns_used    6245
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.2
_cell_volume                     2056.00(18)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_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  0.047
_diffrn_reflns_av_sigmaI/netI    0.049
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17212
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         1.7
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.346
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.58
_refine_diff_density_min         -1.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         5988
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.11
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.029
_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^)+(0.0434P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.069
_refine_ls_wR_factor_ref         0.090
_reflns_number_gt                5063
_reflns_number_total             5988
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2333.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      ' P 21/c'
_cod_database_code               2212906
_cod_database_fobs_code          2212906