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_4067645
_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         'C62.50 H62.50 Ir O P2 Pt2 Se2 '
_chemical_formula_sum            'C62.5 H62.5 Ir O P2 Pt2 Se2'
_chemical_formula_weight         1631.95
_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             2007-07-11
_audit_creation_method           'by CrystalStructure 3.8.0'
_audit_update_record
'? [Cp*Ir(CO)(m3-Se)2{PtTol(PPh3)}2] (2b).0.25C6H14'
_cell_angle_alpha                96.423(3)
_cell_angle_beta                 103.352(4)
_cell_angle_gamma                95.387(3)
_cell_formula_units_Z            4
_cell_length_a                   14.872(4)
_cell_length_b                   18.127(4)
_cell_length_c                   22.248(5)
_cell_measurement_reflns_used    9255
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5754(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.070
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            65500
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    8.505
_exptl_absorpt_correction_T_max  0.331
_exptl_absorpt_correction_T_min  0.159
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3106.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         5.98
_refine_diff_density_min         -2.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1329
_refine_ls_number_reflns         25998
_refine_ls_R_factor_gt           0.0644
_refine_ls_shift/su_max          0.0041
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.5500\s(Fo^2^) + 0.0500]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1933
_reflns_number_gt                12142
_reflns_number_total             25998
_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_formula_sum        'C62.50 H62.50 Ir O P2 Pt2 Se2 '
_cod_database_code               4067645