Bimetal Doping in Nanoclusters: Synergistic or Counteractive?
Yan, Nan; Liao, Lingwen; Yuan, Jinyun; Lin, Yue-jian; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun; Chemistry of Materials 28 (2016) 8240–; doi:10.1021/acs.chemmater.6b03132

data_4003317
_publ_section_title
;
 Bimetal Doping in Nanoclusters: Synergistic or Counteractive?
;
_journal_issue                   22
_journal_name_full               'Chemistry of Materials'
_journal_page_first              8240
_journal_paper_doi               10.1021/acs.chemmater.6b03132
_journal_volume                  28
_journal_year                    2016
_chemical_formula_sum            'C144 H162 Ag7.22 Au17.77 S18'
_chemical_formula_weight         6750.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 111.323(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.410(2)
_cell_length_b                   27.438(4)
_cell_length_c                   18.341(2)
_cell_measurement_reflns_used    5115
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.37
_cell_measurement_theta_min      2.38
_cell_volume                     8161.7(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1100
_diffrn_reflns_av_unetI/netI     0.1154
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            48657
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         1.459
_exptl_absorpt_coefficient_mu    17.019
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.747
_exptl_crystal_density_meas      0
_exptl_crystal_description       sheet
_exptl_crystal_F_000             6116
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.439
_refine_diff_density_min         -1.789
_refine_diff_density_rms         0.319
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         14285
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1218
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0637P)^2^+19.8931P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1550
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8233
_reflns_number_total             14285
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm6b03132_si_002.cif
_cod_data_source_block           mo_50518a
_cod_original_cell_volume        8161.6(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4003317
_shelx_estimated_absorpt_t_min   0.132
_shelx_estimated_absorpt_t_max   0.727
_shelxl_version_number           2013-4
_shelx_res_checksum              54254
_shelx_hkl_checksum              6619