A New Heterobimetallic Ru,Rh Complex with a Dianionic Pentalene as Bridging Ligand. Synthesis, Crystal Structure, and Catalytic Activity of [Cp*Ru(μ-η5,η3-C8H6)Rh(η4-COD)]
Burgos, Francisco; Chávez, Ivonne; Manriquez, Juan M.; Valderrama, Mauricio; Lago, Elena; Molins, Elies; Delpech, Fabien; Castel, Annie; Rivière, Pierre; Organometallics 20 (2001) 1287–; doi:10.1021/om000941k

data_4077253
_publ_section_title
;
 A New Heterobimetallic Ru,Rh Complex with a Dianionic Pentalene as
 Bridging Ligand. Synthesis, Crystal Structure, and Catalytic Activity of
 [Cp*Ru(\m-\h5,\h3-C8H6)Rh(\h4-COD)]
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1287
_journal_paper_doi               10.1021/om000941k
_journal_volume                  20
_journal_year                    2001
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C26 H33 Rh1 Ru1'
_chemical_formula_structural     'C26 H33 RH1 RU1'
_chemical_formula_sum            'C26 H33 Rh Ru'
_chemical_formula_weight         549.5
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/cifdics/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1
_audit_creation_date             2000-09-26T18:38:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 117.63
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.941
_cell_length_b                   11.193
_cell_length_c                   15.035
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.6
_cell_measurement_theta_min      4.5
_cell_measurement_wavelength     0.71073
_cell_volume                     2227.636
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXL-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1659
_diffrn_reflns_av_unetI/netI     0.0834
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6877
_diffrn_reflns_theta_full        30.41
_diffrn_reflns_theta_max         30.41
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        19
_diffrn_standards_interval_count 77
_diffrn_standards_interval_time  56
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.428
_exptl_absorpt_correction_T_max  0.6153
_exptl_absorpt_correction_T_min  0.5676
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
        Number of psi-scan sets used was   6
        Theta correction was applied.
        Averaged transmission function was used.
        No Fourier smoothing was applied.
;
_exptl_crystal_colour            yellow-brown
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.893
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    calc
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         6649
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.1013
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0713P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1234
_reflns_number_gt                3773
_reflns_number_total             6649
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om000941k.cif
_cod_data_source_block           ch2
_cod_original_cell_volume        2227.5
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4077253
_exptl_absorpt_factor_mur        0.481
_exptl_absorpt_correction_t_ave  0.5839