Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions
Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov; Journal of the American Chemical Society 133 (2011) 16358–16361; doi:10.1021/ja206845s

data_4106964
_publ_section_title
;
 Making the Golden Connection: Reversible Mechanochemical and Vapochemical
 Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated
 through Aurophilic Interactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16358
_journal_page_last               16361
_journal_paper_doi               10.1021/ja206845s
_journal_volume                  133
_journal_year                    2011
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.50'
_chemical_formula_sum            'C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5'
_chemical_formula_weight         2429.38
_chemical_name_common            'TLC 124 (thf/hx)'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2011-07-07T19:05:38-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                82.6740(10)
_cell_angle_beta                 84.7830(10)
_cell_angle_gamma                61.2300(10)
_cell_formula_units_Z            4
_cell_length_a                   16.6596(4)
_cell_length_b                   16.7480(5)
_cell_length_c                   30.2716(7)
_cell_measurement_reflns_used    31278
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      0.68
_cell_measurement_wavelength     0.71073
_cell_volume                     7338.9(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.639148E-1
_diffrn_orient_matrix_UB_12      -0.430325E-1
_diffrn_orient_matrix_UB_13      0.94965E-2
_diffrn_orient_matrix_UB_21      -0.226875E-1
_diffrn_orient_matrix_UB_22      -0.1103E-3
_diffrn_orient_matrix_UB_23      0.317363E-1
_diffrn_orient_matrix_UB_31      -0.97398E-2
_diffrn_orient_matrix_UB_32      -0.532088E-1
_diffrn_orient_matrix_UB_33      -0.36343E-2
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0783
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            114109
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         0.68
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    6.358
_exptl_absorpt_correction_T_max  0.3304
_exptl_absorpt_correction_T_min  0.1153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.199
_exptl_crystal_description       block
_exptl_crystal_F_000             4592
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         5.323
_refine_diff_density_min         -5.297
_refine_diff_density_rms         0.438
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1718
_refine_ls_number_reflns         33207
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1038
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          7.91
_refine_ls_shift/su_mean         0.086
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1389P)^2^+131.7932P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1863
_refine_ls_wR_factor_ref         0.2381
_reflns_number_gt                24454
_reflns_number_total             33207
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ja206845s_si_002_2.cif
_cod_data_source_block           t68
_cod_original_formula_sum        'C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.50'
_cod_database_code               4106964