Information card for entry 4322635

Structure parameters

• Formula: C4 H10 Cl8 Se2 Ti2
• Calculated formula: C4 H10 Cl8 Se2 Ti2
• SMILES: [Se]1([Ti]2(Cl)([Cl][Ti]([Se]1CC)(Cl)(Cl)(Cl)[Cl]2)(Cl)Cl)CC
• Title of publication: Adducts of Titanium Tetrachloride with Alkylselenium Compounds: Molecular Precursors to Titanium Diselenide Films
• Authors of publication: Peggy J. McKarns; T. Suren Lewkebandara; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 418 - 424
• a: 12.106 ± 0.001 Å
• b: 12.106 ± 0.001 Å
• c: 10.786 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1369 ± 0.2 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.0885
• Goodness-of-fit parameter for all reflections: 1.271
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No