Self-assembly of an unprecedented polyoxomolybdate anion [Mo20O66](12-) in a giant peanut-like 62-core silver-thiolate nanocluster.
Huang, Ren-Wu; Xu, Qing-Qing; Lu, Hong-Lin; Guo, Xiao-Kang; Zang, Shuang-Quan; Gao, Guang-Gang; Tang, Ming-Sheng; Mak, Thomas C. W.; Nanoscale 7 (2015) 7151–7154; doi:10.1039/c5nr00171d

data_1518720
_publ_section_title
;
 Self-assembly of an unprecedented polyoxomolybdate anion [Mo20O66](12-)
 in a giant peanut-like 62-core silver-thiolate nanocluster.
;
_journal_issue                   16
_journal_name_full               Nanoscale
_journal_page_first              7151
_journal_page_last               7154
_journal_paper_doi               10.1039/c5nr00171d
_journal_volume                  7
_journal_year                    2015
_chemical_formula_sum            'C166 H366 Ag62 F6 Mo38 N2 O129 S42'
_chemical_formula_weight         16248.79
_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                93.065(3)
_cell_angle_beta                 95.734(3)
_cell_angle_gamma                112.904(4)
_cell_formula_units_Z            1
_cell_length_a                   18.4308(7)
_cell_length_b                   19.5522(7)
_cell_length_c                   35.0688(13)
_cell_measurement_temperature    110(2)
_cell_volume                     11523.9(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0814
_diffrn_reflns_av_sigmaI/netI    0.1551
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            79169
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.80
_exptl_absorpt_coefficient_mu    3.802
_exptl_absorpt_correction_T_max  0.5814
_exptl_absorpt_correction_T_min  0.5477
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.341
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7644
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_platon_squeeze_details
;
;
_refine_diff_density_max         4.120
_refine_diff_density_min         -3.092
_refine_diff_density_rms         0.289
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1874
_refine_ls_number_reflns         39450
_refine_ls_number_restraints     3054
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1517
_refine_ls_R_factor_gt           0.0904
_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^)+(0.0758P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2003
_refine_ls_wR_factor_ref         0.2325
_reflns_number_gt                19060
_reflns_number_total             39450
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nr00171d2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 1518720.cif.'
_cod_original_cell_volume        11523.9(7)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1518720