Information card for entry 4313785

Structure parameters

• Formula: C15 H14 I3 Ir2 O6.5 S2 Ti
• Calculated formula: C15 H12 I3 Ir2 O6.5 S2 Ti
• Title of publication: Stereoselective Oxidative Additions of Iodoalkanes and Activated Alkynes to a Sulfido-Bridged Heterotrinuclear Early-Late (TiIr2) Complex
• Authors of publication: Miguel A. Casado; Jesús J. Pérez-Torrente; Miguel A. Ciriano; Isabel T. Dobrinovitch; Fernando J. Lahoz; Luis A. Oro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3956 - 3964
• a: 11.423 ± 0.0008 Å
• b: 16.7818 ± 0.0012 Å
• c: 13.6965 ± 0.001 Å
• α: 90°
• β: 109.493 ± 0.001°
• γ: 90°
• Cell volume: 2475.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No