Reactions of Bis(chalcogenolato) Complexes [(η5-C5Me5)Ir(CO)(ETol)2] (E = Se, S; Tol =p-Tolyl) with [Pt(PPh3)3]. Formation of Tri- or Dinuclear Mixed-Metal Complexes with Bridging Chalcogenido or Chalcogenolato Ligands
Nakagawa, Takafumi; Seino, Hidetake; Mizobe, Yasushi; Organometallics 29 (2010) 2254–; doi:10.1021/om9010609

data_4067646
_publ_section_title
;
 Reactions of Bis(chalcogenolato) Complexes [(\h5-C5Me5)Ir(CO)(ETol)2] (E
 = Se, S; Tol =p-Tolyl) with [Pt(PPh3)3]. Formation of Tri- or Dinuclear
 Mixed-Metal Complexes with Bridging Chalcogenido or Chalcogenolato
 Ligands
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2254
_journal_paper_doi               10.1021/om9010609
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C60 H59 Ir P2 Pt2 Se2 '
_chemical_formula_sum            'C60 H59 Ir P2 Pt2 Se2'
_chemical_formula_weight         1582.39
_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'
_audit_creation_date             2006-02-16
_audit_creation_method           'by CrystalStructure 3.6.0'
_audit_update_record             '? [Cp*Ir(m3-Se)2{PtTol(PPh3)}2] (5)'
_cell_angle_alpha                80.076(10)
_cell_angle_beta                 80.078(10)
_cell_angle_gamma                78.169(10)
_cell_formula_units_Z            2
_cell_length_a                   10.729(3)
_cell_length_b                   13.475(4)
_cell_length_c                   19.873(6)
_cell_measurement_reflns_used    6484
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2741.9(14)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9588
_diffrn_measured_fraction_theta_max 0.9588
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21873
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    8.919
_exptl_absorpt_correction_T_max  0.168
_exptl_absorpt_correction_T_min  0.094
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1500.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         6.43
_refine_diff_density_min         -2.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     663
_refine_ls_number_reflns         12051
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.7500\s(Fo^2^) + 0.0700]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                7523
_reflns_number_total             12051
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om9010609_si_001.cif
_cod_data_source_block           General
_cod_original_cell_volume        2742.1(15)
_cod_original_formula_sum        'C60 H59 Ir P2 Pt2 Se2 '
_cod_database_code               4067646