Multiple Emissions and Brilliant White Luminescence from Gold(I) O,O'-Di(alkyl)dithiophosphate Dimers
Young-A Lee; James E. McGarrah; Rene J. Lachicotte; Richard Eisenberg; Journal of the American Chemical Society 124 (2002) 10662–10663; doi:10.1021/ja0267876

data_4115116
_publ_section_title
;
 Multiple Emissions and Brilliant White Luminescence from Gold(I)
 O,O'-Di(alkyl)dithiophosphate Dimers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10662
_journal_page_last               10663
_journal_paper_doi               10.1021/ja0267876
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C16 H40 Au4 O8 P4 S8'
_chemical_formula_weight         1528.71
_chemical_name_common            Au2{S2P(OEt)2}2
_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                100.182(2)
_cell_angle_beta                 90.635(2)
_cell_angle_gamma                95.133(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3143(7)
_cell_length_b                   9.4747(8)
_cell_length_c                   24.851(2)
_cell_measurement_temperature    193(2)
_cell_volume                     1918.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            8886
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    15.885
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.448
_exptl_absorpt_correction_type   'empirical; SADABS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.647
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.790
_refine_diff_density_min         -2.118
_refine_diff_density_rms         0.333
_refine_ls_extinction_coef       0.0058(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5511
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0696
_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^)+(0.0788P)^2^+74.9455P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1747
_refine_ls_wR_factor_ref         0.1773
_reflns_number_gt                5258
_reflns_number_total             5511
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0267876_s2_2.cif
_cod_data_source_block           sad2
_cod_original_cell_volume        1918.3(3)
_cod_database_code               4115116