Synthesis and characterization of high-nuclearity iridium‒ruthenium and ‒gold mixed-metal carbonyl clusters, [Ir7Ru3(CO)23]−, [Ir7Ru3(CO)23(AuPPh3)] and [Ir6Ru3(CO)21(AuPPh3)]−, possessing tetrahedrally capped octahedral iridium cores obtained by capping reactions with [Ru3(CO)12] and [AuCl(PPh3)]
Chihara, Teiji; Sato, Mayumi; Konomoto, Hiromi; Kamiguchi, Satoshi; Ogawa, Haruo; Wakatsuki, Yasuo; Journal of the Chemical Society, Dalton Transactions  (2000) 2295–; doi:10.1039/b003100n

data_7009725
_publ_section_title
;
 Synthesis and characterization of high-nuclearity iridium--ruthenium
 and --gold mixed-metal carbonyl clusters, [Ir7Ru3(CO)23]&#x2212;,
 [Ir7Ru3(CO)23(AuPPh3)] and [Ir6Ru3(CO)21(AuPPh3)]&#x2212;, possessing
 tetrahedrally capped octahedral iridium cores obtained by capping
 reactions with [Ru3(CO)12] and [AuCl(PPh3)]
;
_journal_issue                   14
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2295
_journal_paper_doi               10.1039/b003100n
_journal_year                    2000
_chemical_formula_sum            'C63 H36 Au Ir6 O21 P2 Ru3'
_chemical_formula_weight         2844.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.74(2)
_cell_angle_beta                 112.47(3)
_cell_angle_gamma                64.29(4)
_cell_formula_units_Z            2
_cell_length_a                   16.819(9)
_cell_length_b                   17.188(4)
_cell_length_c                   16.321(3)
_cell_measurement_temperature    294.2
_cell_volume                     3827(3)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.6371
_diffrn_measured_fraction_theta_max 0.6371
_diffrn_measurement_device_type  'Rigaku RAXIS-CS Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12393
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    13.012
_exptl_absorpt_correction_T_max  0.379
_exptl_absorpt_correction_T_min  0.239
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            deep-green
_exptl_crystal_density_diffrn    2.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_size_max          0.475
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_refine_diff_density_max         3.74
_refine_diff_density_min         -2.24
_refine_ls_extinction_coef       0.00001(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   0.615
_refine_ls_hydrogen_treatment    ignore
_refine_ls_number_parameters     678
_refine_ls_number_reflns         5688
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.4469
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0694
_reflns_number_gt                5688
_reflns_number_total             11196
_reflns_threshold_expression     F^2^>5.0\s(F^2^)
_cod_data_source_file            b003100n.txt
_cod_data_source_block           (PPh4)[Ir6Ru3(CO)21AuPPh3]
_cod_original_cell_volume        3826(2)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C63 H36 Au Ir6 O21 P2 Ru3 '
_cod_database_code               7009725