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_1574644
_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 H168 Ag21 O24 P12 Rh Se24'
_chemical_formula_weight         6052.91
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_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                81.936(2)
_cell_angle_beta                 76.8308(16)
_cell_angle_gamma                64.9124(15)
_cell_formula_units_Z            2
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_cell_length_b                   18.3134(17)
_cell_length_c                   29.837(2)
_cell_measurement_reflns_used    9867
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.20
_cell_measurement_theta_min      2.18
_cell_volume                     7733.7(10)
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0538
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            58572
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         0.702
_exptl_absorpt_coefficient_mu    8.514
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.599
_exptl_crystal_description       plate
_exptl_crystal_F_000             5640
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.532
_refine_diff_density_min         -2.476
_refine_diff_density_rms         0.258
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         26937
_refine_ls_number_restraints     498
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+220.4077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1396
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19104
_reflns_number_total             26937
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nr01190f2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 1574642--1574644.cif.'
_cod_original_cell_volume        7733.6(11)
_cod_database_code               1574644
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.225
_shelx_estimated_absorpt_t_max   0.676
_shelx_res_checksum              27753
_shelx_hkl_checksum              52503