An Unprecedented Luminescent Polynuclear Gold(I) μ3-Sulfido Cluster With a Thiacrown-like Architecture
Terence Kwok-Ming Lee; Nianyong Zhu; Vivian Wing-Wah Yam; Journal of the American Chemical Society 132 (2010) 17646–17648; doi:10.1021/ja1055017

data_4103695
_publ_section_title
;
 An Unprecedented Luminescent Polynuclear Gold(I) \m3-Sulfido Cluster With
 a Thiacrown-like Architecture
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17646
_journal_page_last               17648
_journal_paper_doi               10.1021/ja1055017
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C204 H198 Au18 F36 O2 P24 S6'
_chemical_formula_sum            'C204 H198 Au18 F36 O2 P24 S6'
_chemical_formula_weight         7846.66
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.21(2)
_cell_angle_beta                 109.19(2)
_cell_angle_gamma                100.89(2)
_cell_formula_units_Z            1
_cell_length_a                   16.025(3)
_cell_length_b                   20.624(4)
_cell_length_c                   21.736(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     6623(2)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            38545
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    10.184
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3640
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.570
_refine_diff_density_min         -1.727
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    ride-on
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         24429
_refine_ls_number_restraints     243
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0915P)^2^+31.8562P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1785
_reflns_number_gt                15839
_reflns_number_total             24429
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1055017_si_002.cif
_cod_data_source_block           wt1656
_cod_database_code               4103695