All-selenolate-protected eight-electron platinum/silver nanoclusters.
Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.; Nanoscale 13 (2021) 12143–12148; doi:10.1039/d1nr02540f

data_1563715
_publ_section_title
;
 All-selenolate-protected eight-electron platinum/silver nanoclusters.
;
_journal_issue                   28
_journal_name_full               Nanoscale
_journal_page_first              12143
_journal_page_last               12148
_journal_paper_doi               10.1039/d1nr02540f
_journal_volume                  13
_journal_year                    2021
_chemical_formula_sum            'C192 H216 Ag20 P12 Pt Se24'
_chemical_formula_weight         7142.81
_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-2014/7
_audit_update_record
;
2021-03-11 deposited with the CCDC.	2021-06-25 downloaded from the CCDC.
;
_cell_angle_alpha                78.1000(10)
_cell_angle_beta                 84.0500(10)
_cell_angle_gamma                83.2810(10)
_cell_formula_units_Z            2
_cell_length_a                   18.4077(12)
_cell_length_b                   18.8892(13)
_cell_length_c                   33.160(2)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.73
_cell_measurement_theta_min      2.21
_cell_volume                     11167.1(13)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0483
_diffrn_reflns_av_unetI/netI     0.1094
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            64121
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.237
_exptl_absorpt_coefficient_mu    6.374
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.124
_exptl_crystal_description       plate
_exptl_crystal_F_000             6764
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.030
_refine_diff_density_max         3.973
_refine_diff_density_min         -2.658
_refine_diff_density_rms         0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1567
_refine_ls_number_reflns         38771
_refine_ls_number_restraints     2007
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1390
_refine_ls_R_factor_gt           0.0770
_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^)+(0.1267P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2120
_refine_ls_wR_factor_ref         0.2383
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20897
_reflns_number_total             38771
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nr02540f2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1563713--1563715.cif.'
_cod_database_code               1563715
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.568
_shelx_estimated_absorpt_t_max   0.832
_shelx_res_checksum              49095