Assembly of a luminescent core-shell nanocluster featuring a Ag34S26 shell and a W6O21^6-^ polyoxoanion core
Kun Zhou; Chao Qin; Hai-Bin Li; Li-Kai Yan; Xin-Long Wang; Guo-Gang Shan; Zhong-Min Su; Chuang Xu; Xiu-Li Wang; Chem.Commun. 48 (2012) 5844–; doi:10.1039/c2cc32321d

data_7107813
_publ_section_title
;
 Assembly of a luminescent core-shell nanocluster featuring a Ag34S26
 shell and a W6O21^6-^ polyoxoanion core
;
_journal_name_full               Chem.Commun.
_journal_page_first              5844
_journal_paper_doi               10.1039/c2cc32321d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C134 H329 Ag34 F6 N O45 S26 W6'
_chemical_formula_weight         8393.22
_chemical_name_systematic
;
?
;
_space_group_IT_number           114
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.905(3)
_cell_length_b                   37.905(3)
_cell_length_c                   35.309(3)
_cell_measurement_reflns_used    255563
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.33
_cell_volume                     50732(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL (Bruker 1998)'
_computing_structure_refinement  'SHELXTL (Bruker 1998)'
_computing_structure_solution    'SHELXTL (Bruker 1998)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID IP'
_diffrn_measurement_method       '\w 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  0.1894
_diffrn_reflns_av_sigmaI/netI    0.1601
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            255563
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    5.532
_exptl_absorpt_correction_T_max  0.8738
_exptl_absorpt_correction_T_min  0.8061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, T. 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             32096
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.537
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.202
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.026(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     990
_refine_ls_number_reflns         44663
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1954
_refine_ls_R_factor_gt           0.0649
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0663P)^2^+523.9028P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1394
_refine_ls_wR_factor_ref         0.1984
_reflns_number_gt                19835
_reflns_number_total             44663
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc32321d.txt
_cod_data_source_block           8
_cod_database_code               7107813