Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands.
Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.; Nanoscale 17 (2025) 13502–13509; doi:10.1039/d5nr01190f

data_1574643
_publ_section_title
;
 Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate
 ligands.
;
_journal_issue                   21
_journal_name_full               Nanoscale
_journal_page_first              13502
_journal_page_last               13509
_journal_paper_doi               10.1039/d5nr01190f
_journal_volume                  17
_journal_year                    2025
_chemical_formula_sum            'C72 H169 Ag20 O24 P12 Rh Se24'
_chemical_formula_weight         5946.05
_space_group_crystal_system      cubic
_space_group_IT_number           197
_space_group_name_Hall           'I 2 2 3'
_space_group_name_H-M_alt        'I 2 3'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-03-20 deposited with the CCDC.	2025-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   32.578(2)
_cell_length_c                   32.578(2)
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.92
_cell_measurement_theta_min      2.34
_cell_volume                     34576(4)
_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-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0856
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            112089
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.062
_diffrn_reflns_theta_max         25.062
_diffrn_reflns_theta_min         0.884
_exptl_absorpt_coefficient_mu    7.507
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5134
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.284
_exptl_crystal_description       prism
_exptl_crystal_F_000             22192
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.910
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.204
_refine_ls_abs_structure_details
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         10242
_refine_ls_number_restraints     145
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0592
_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^)+(0.0303P)^2^+1829.7992P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1234
_refine_ls_wR_factor_ref         0.1469
_reflns_Friedel_coverage         0.891
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                8232
_reflns_number_total             10242
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nr01190f2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1574642--1574644.cif.'
_cod_original_cell_volume        34577(8)
_cod_database_code               1574643
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.380
_shelx_estimated_absorpt_t_max   0.585
_shelx_res_checksum              6475
_shelx_hkl_checksum              56678
_shelx_fab_checksum              47282
_platon_squeeze_void_probe_radius 1.20