Stepwise Construction of Polynuclear Complexes of Rhodium and Iridium Assisted by Benzimidazole-2-thiol. NMR and X-ray Diffraction Studies
Cristina Tejel; B. Eva Villarroya; Miguel A. Ciriano; Luis A. Oro; Maurizio Lanfranchi; Antonio Tiripicchio; Marisa Tiripicchio-Camellini; Inorganic Chemistry 35 (1996) 4360–4368; doi:10.1021/ic960046m

data_4323858
_publ_contact_author
;
     Prof. Antonio Tiripicchio
     Dipartimento di Chimica Generale ed Inorganica,
         Chimica Analitica, Chimica Fisica
     Universit\`a degli Studi di Parma
     Viale delle Scienze 78
     I-43100 Parma
     Italy
;
_publ_contact_author_email       chimic4@ipruniv.cce.unipr.it
_publ_contact_author_fax         '[01039]521 905 557'
_publ_contact_author_phone       '[01039]521 905 418'
_publ_section_title
;
 Stepwise Construction of Polynuclear Complexes of Rhodium and Iridium
 Assisted by Benzimidazole-2-thiol. NMR and X-ray Diffraction Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4360
_journal_page_last               4368
_journal_paper_doi               10.1021/ic960046m
_journal_volume                  35
_journal_year                    1996
_chemical_formula_analytical     ' C47H58Cl2N4Rh4S2   '
_chemical_formula_moiety         ' C46H56N4Rh4S2.CH2Cl2 '
_chemical_formula_structural     '  [Rh2(Bzimt)(COD)2]2 '
_chemical_formula_sum            'C47 H58 Cl2 N4 Rh4 S2'
_chemical_formula_weight         1225.65
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           PARSTCIF
_cell_angle_alpha                90.00(0)
_cell_angle_beta                 93.32(2)
_cell_angle_gamma                90.00(0)
_cell_formula_units_Z            8.00
_cell_length_a                   20.173(5)
_cell_length_b                   42.076(8)
_cell_length_c                   10.983(3)
_cell_measurement_radiation      Cu-K\a
_cell_measurement_reflns_used    30
_cell_measurement_temperature    295
_cell_measurement_theta_max      39.6
_cell_measurement_theta_min      22.5
_cell_measurement_wavelength     1.543818
_cell_volume                     9307(4)
_computing_molecular_graphics    ' ORTEP '
_computing_publication_material
;
 PARST (Nardelli, 1983); PARSTCIF (Nardelli, 1991)
;
_computing_structure_refinement  ' SHELX-76 '
_computing_structure_solution    ' SHELXS-86 '
_diffrn_ambient_temperature      295
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         X-ray
_diffrn_radiation_type           Cu-K\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18890
_diffrn_reflns_theta_max         70
_diffrn_reflns_theta_min         3
_diffrn_standards_decay_%        No
_diffrn_standards_interval_count 100
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    13.4591
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7629
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.7495
_exptl_crystal_F_000             4912.0
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.09
_refine_diff_density_min         -1.13
_refine_ls_goodness_of_fit_obs   1.05
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           'blocked full matrix'
_refine_ls_number_parameters     721
_refine_ls_number_reflns         7145
_refine_ls_R_factor_obs          0.0622
_refine_ls_shift/esd_max         0.60
_refine_ls_weighting_scheme      0.509(\s^2^Fo+0.001Fo^2^)^-1^
_refine_ls_wR_factor_obs         0.0779
_reflns_number_observed          7145
_reflns_number_total             17662
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ic960046m.cif
_cod_data_source_block           Y
_cod_original_cell_volume        9307.(4)
_cod_original_sg_symbol_H-M      ' P 1 21/n 1 '
_cod_original_formula_sum        ' C47H58Cl2N4Rh4S2   '
_cod_database_code               4323858