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_1574642
_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            'C76 H186 Ag19 O28 P12 Rh Se24'
_chemical_formula_weight         5967.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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                 112.607(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.227(4)
_cell_length_b                   17.3463(19)
_cell_length_c                   33.229(4)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.96
_cell_measurement_theta_min      2.18
_cell_volume                     16084(3)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0869
_diffrn_reflns_av_unetI/netI     0.0880
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            95965
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.056
_diffrn_reflns_theta_max         25.056
_diffrn_reflns_theta_min         1.160
_exptl_absorpt_coefficient_mu    7.955
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.464
_exptl_crystal_description       plate
_exptl_crystal_F_000             11200
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.846
_refine_diff_density_min         -1.736
_refine_diff_density_rms         0.289
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1556
_refine_ls_number_reflns         28358
_refine_ls_number_restraints     573
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0767
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+598.3801P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1709
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20503
_reflns_number_total             28358
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nr01190f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1574642--1574644.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1574642
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.299
_shelx_estimated_absorpt_t_max   0.692
_shelx_res_checksum              19107
_shelx_hkl_checksum              51074