Crystal structure of bis(μ-diphenylphosphino)butane-P,P'-bis [(N-(4-ethylcarboxyphenyl)-O-ethylthiocarbamato)gold(I)], [(CH~2~) ~4~(C~6~H~5~)~2~P)~2~][Au(SCNC~6~H~4~CO~2~C~2~H~5~)]~2~
S. Y. Ho; E. R. T. Tiekink; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 475–476; doi:

data_8101831
_publ_section_title
;
Crystal structure of bis(\m-diphenylphosphino)butane-P,P'-bis
[(N-(4-ethylcarboxyphenyl)-O-ethylthiocarbamato)gold(I)], [(CH~2~)
~4~(C~6~H~5~)~2~P)~2~][Au(SCNC~6~H~4~CO~2~C~2~H~5~)]~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              475
_journal_page_last               476
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety         'C52 H56 Au2 N2 O6 P2 S2'
_chemical_formula_structural
'[(CH~2~)~4~(Ph~2~P)~2~][Au(SC=NC~6~H~4~CO~2~Et-4)]~2~'
_chemical_formula_sum            'C52 H56 Au2 N2 O6 P2 S2'
_chemical_formula_weight         1324.98
_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                 92.546(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.5006(16)
_cell_length_b                   10.1454(16)
_cell_length_c                   24.085(4)
_cell_measurement_reflns_used    3621
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      24.6
_cell_measurement_theta_min      2.2
_cell_volume                     2563.3(7)
_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  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF92 PATTY (Beurskens et al., 1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker AXS SMART CCD'
_diffrn_measurement_method       omega/phi
_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  0.048
_diffrn_reflns_av_sigmaI/netI    0.065
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21183
_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    5.910
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.50
_refine_diff_density_min         -1.57
_refine_diff_density_rms         0.407
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         7458
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.08
_refine_ls_R_factor_all          0.070
_refine_ls_R_factor_gt           0.045
_refine_ls_shift/su_max_lt       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^)+(0.0782P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.117
_refine_ls_wR_factor_ref         0.146
_reflns_number_gt                5521
_reflns_number_total             7458
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            1267-1600.cff
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      P12(1)/n1
_cod_database_code               8101831