Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of a Family of Multivalent Metal Carbido-Carbonyl Clusters Based on the Rh10(C)2Au4-6Framework
Laura Cherchi; Alessandro Fumagalli; Serena Fedi; Piero Zanello; Fabrizia Fabrizi De Biani; Franco Laschi; Luigi Garlaschelli; Piero Macchi; Angelo Sironi; Inorganic Chemistry 51 (2012) 9171–9180; doi:10.1021/ic201613j

data_4330135
_publ_contact_author_address
;
Department of Structural Chemistry
University of Milan
Via Venezian 21
Milano, Italy
;
_publ_contact_author_email       angelo.sironi@unimi.it
_publ_contact_author_fax         '+39 02 50314454'
_publ_contact_author_name        'Sironi, Angelo'
_publ_contact_author_phone       '+39 02 50314448'
_publ_section_title
;
 Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of
 a Family of Multivalent Metal Carbido-Carbonyl Clusters Based on the
 Rh10(C)2Au4-6Framework
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9171
_journal_page_last               9180
_journal_paper_doi               10.1021/ic201613j
_journal_volume                  51
_journal_year                    2012
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C110 H75 Au5 O18 P5 Rh10, C4 H12 N, C3 H8 O'
_chemical_formula_sum            'C117 H95 Au5 N O19 P5 Rh10'
_chemical_formula_weight         3987.72
_chemical_name_systematic
;
 ?
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-02-20T14:09:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                88.542(8)
_cell_angle_beta                 87.651(8)
_cell_angle_gamma                84.051(8)
_cell_formula_units_Z            2
_cell_length_a                   14.862(7)
_cell_length_b                   17.390(9)
_cell_length_c                   24.298(12)
_cell_measurement_temperature    100(2)
_cell_volume                     6239(5)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_unetI/netI     0.1178
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            51029
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    7.261
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.123
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3752
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.074
_refine_diff_density_min         -3.937
_refine_diff_density_rms         0.327
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         22530
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.16
_refine_ls_R_factor_gt           0.1034
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1151P)^2^+133.8186P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2444
_refine_ls_wR_factor_ref         0.2678
_reflns_number_gt                13357
_reflns_number_total             22530
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201613j_si_001_3.cif
_cod_data_source_block           fu59
_cod_database_code               4330135