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_4330133
_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_formula_moiety         'C128 H90 Au6 O18 P6 Rh10, 2(C5 H9 N O)'
_chemical_formula_sum            'C138 H108 Au6 N2 O20 P6 Rh10'
_chemical_formula_weight         4510.98
_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             2012-02-19T14:56:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.9240(18)
_cell_angle_beta                 97.9550(18)
_cell_angle_gamma                100.3750(18)
_cell_formula_units_Z            1
_cell_length_a                   14.7030(18)
_cell_length_b                   15.0640(19)
_cell_length_c                   15.2830(19)
_cell_measurement_temperature    150(2)
_cell_volume                     3294.7(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43253
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    8.004
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.680
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.274
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2124
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.774
_refine_diff_density_min         -2.695
_refine_diff_density_rms         0.392
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         15140
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0253
_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^)+(0.0485P)^2^+5.8217P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0721
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                13097
_reflns_number_total             15140
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201613j_si_001_1.cif
_cod_data_source_block           fu58
_cod_database_code               4330133