The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.
Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu; Dalton transactions (Cambridge, England : 2003) 50 (2021) 5659–5665; doi:10.1039/d1dt00294e

data_7706957
_publ_section_title
;
 The
 [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup>&#x2009;:&#x2009;Ag<sub>13</sub>H<sub>8</sub>
 silver hydride core protected by
 [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup>
 motifs.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5659
_journal_page_last               5665
_journal_paper_doi               10.1039/d1dt00294e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C966 H768 Ag36 B12 Cl72 Cu12 F48 P36'
_chemical_formula_weight         21730.60
_chemical_name_common            20180728_mikami_R3c
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   19.005(8)
_cell_length_b                   19.005
_cell_length_c                   70.25(3)
_cell_measurement_reflns_used    618
_cell_measurement_temperature    173.0(2)
_cell_measurement_theta_max      27.2430
_cell_measurement_theta_min      2.7370
_cell_volume                     21974(13)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2(Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'
_diffrn_ambient_temperature      173.0(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'multilayered conforcal mirror'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       90
_diffrn_reflns_limit_l_min       -90
_diffrn_reflns_number            39718
_diffrn_reflns_theta_full        27.26
_diffrn_reflns_theta_max         27.26
_diffrn_reflns_theta_min         1.70
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_T_max  0.90
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             10860
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.979
_refine_diff_density_min         -1.473
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         5491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0676P)^2^+141.3766P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1237
_reflns_number_gt                4760
_reflns_number_total             5491
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00294e2.cif
_cod_data_source_block           20180723_mikamiAgCu2
_cod_depositor_comments
'Adding full bibliography for 7706956--7706960.cif.'
_cod_original_cell_volume        21970.(20)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7706957
_shelx_res_checksum              26943
_shelx_hkl_checksum              9321