Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.
Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.; Chemical science 15 (2024) 14660–14667; doi:10.1039/d4sc02920h

data_1572383
_publ_section_title
;
 Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic
 nanoclusters into 16-electron supermolecules.
;
_journal_issue                   36
_journal_name_full               'Chemical science'
_journal_page_first              14660
_journal_page_last               14667
_journal_paper_doi               10.1039/d4sc02920h
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C102 H239 Ag32 O34 P17 Pt2 S34'
_chemical_formula_weight         7468.47
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-22 deposited with the CCDC.	2024-08-12 downloaded from the CCDC.
;
_cell_angle_alpha                98.0114(14)
_cell_angle_beta                 102.1599(14)
_cell_angle_gamma                116.0390(13)
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_cell_length_b                   20.7482(12)
_cell_length_c                   30.0519(17)
_cell_measurement_reflns_used    9333
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.80
_cell_measurement_theta_min      2.19
_cell_volume                     10292.6(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 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0445
_diffrn_reflns_av_unetI/netI     0.0712
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            67817
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         0.719
_exptl_absorpt_coefficient_mu    4.846
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.4947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.410
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         3.721
_refine_diff_density_min         -1.917
_refine_diff_density_rms         0.247
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         35841
_refine_ls_number_restraints     861
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+178.4341P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1511
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27002
_reflns_number_total             35841
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc02920h2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1572381--1572383.cif.'
_cod_original_cell_volume        10292.5(10)
_cod_database_code               1572383
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.643
_shelx_estimated_absorpt_t_max   0.794
_shelx_res_checksum              61147
_shelx_hkl_checksum              31566