Silyl- and germyl-bridged neutral square-planar Ag<sub>4</sub> clusters with short Ag-Ag distances exhibiting red emission.
Ishii, Reon; Wada, Yoshimasa; Sunada, Yusuke; Chemical communications (Cambridge, England) 61 (2025) 4391–4394; doi:10.1039/d4cc06105e

data_7134267
_publ_section_title
;
 Silyl- and germyl-bridged neutral square-planar Ag<sub>4</sub> clusters
 with short Ag-Ag distances exhibiting red emission.
;
_journal_issue                   22
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4391
_journal_page_last               4394
_journal_paper_doi               10.1039/d4cc06105e
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C32 H96 Ag4 Ge4 Si12'
_chemical_formula_sum            'C32 H96 Ag4 Ge4 Si12'
_chemical_formula_weight         1539.97
_space_group_crystal_system      orthorhombic
_space_group_IT_number           70
_space_group_name_Hall           '-F 2uv 2vw'
_space_group_name_H-M_alt        'F d d d :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2024-11-05 deposited with the CCDC.	2025-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            24
_cell_length_a                   26.89331(19)
_cell_length_b                   33.7727(2)
_cell_length_c                   43.9810(3)
_cell_measurement_reflns_used    172148
_cell_measurement_temperature    113
_cell_measurement_theta_max      31.28
_cell_measurement_theta_min      1.85
_cell_volume                     39946.2(5)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 28.626
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_number            93261
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.137
_diffrn_reflns_theta_min         1.520
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.162
_exptl_absorpt_correction_T_max  0.729
_exptl_absorpt_correction_T_min  0.461
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             18528.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.41
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     378
_refine_ls_number_reflns         15219
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0256P)^2^+79.5922P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0577
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12613
_reflns_number_total             15219
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d4cc06105e1.cif
_cod_data_source_block           Ag4Ge4Si12Me32
_cod_depositor_comments
'Adding full bibliography for 7134266--7134267.cif.'
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               7134267
_shelx_res_checksum              10525
_shelx_hkl_checksum              8461