Acid/Base-Controlled Au(I)/Au(0) Reductive Transformations of the Monogold [(μ14-Au)Pd22(CO)20(PEt3)8](+) Monocation into Three Different Neutral Digold Nanoclusters: Au2Pd21(CO)20(PEt3)10, Au2Pd28(CO)26(PEt3)10, and New Five-Layer Hexagonal Close-Packed (μ12-Au)2Pd42(CO)30(PEt3)12 with a Trigonal-Bipyramidal AuPd3Au Kernel.
Mednikov, Evgueni G.; Dahl, Lawrence F.; Inorganic chemistry 54 (2015) 1145–1151; doi:10.1021/ic502470m

data_4341760
_publ_section_title
;
 Acid/Base-Controlled Au(I)/Au(0) Reductive Transformations of the
 Monogold [(\m14-Au)Pd22(CO)20(PEt3)8](+) Monocation into Three Different
 Neutral Digold Nanoclusters: Au2Pd21(CO)20(PEt3)10,
 Au2Pd28(CO)26(PEt3)10, and New Five-Layer Hexagonal Close-Packed
 (\m12-Au)2Pd42(CO)30(PEt3)12 with a Trigonal-Bipyramidal AuPd3Au Kernel.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1145
_journal_page_last               1151
_journal_paper_doi               10.1021/ic502470m
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C102 H180 Au2 O30 P12 Pd42'
_chemical_formula_sum            'C102 H180 Au2 O30 P12 Pd42'
_chemical_formula_weight         7120.83
_chemical_name_common            'Gold/Palladium Carbonyl Phosphine Cluster'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   28.2643(10)
_cell_length_b                   28.2643(10)
_cell_length_c                   36.1195(14)
_cell_measurement_temperature    100(2)
_cell_volume                     24989.0(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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 SMART APEX2 area detector'
_diffrn_measurement_method       'w and f scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0152
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            142041
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    6.322
_exptl_absorpt_correction_T_max  0.5791
_exptl_absorpt_correction_T_min  0.4937
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2007)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.839
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'block crystal'
_exptl_crystal_F_000             19812
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.274
_refine_diff_density_min         -2.667
_refine_diff_density_rms         0.260
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         5437
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0616P)^2^+2566.1482P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1572
_refine_ls_wR_factor_ref         0.1696
_reflns_number_gt                4525
_reflns_number_total             5437
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502470m_si_001.cif
_cod_data_source_block           dahl374
_cod_depositor_comments          'Adding full bibliography for 4341760.cif.'
_cod_original_sg_symbol_H-M      R-3c
_cod_database_code               4341760