Information card for entry 4322636

Structure parameters

• Formula: C8 H20 Cl4 Se2 Ti
• Calculated formula: C8 H20 Cl4 Se2 Ti
• SMILES: [Ti](Cl)(Cl)(Cl)(Cl)([Se](CC)CC)[Se](CC)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: 8.1754 ± 0.001 Å
• b: 13.051 ± 0.001 Å
• c: 16.871 ± 0.003 Å
• α: 90°
• β: 102.675 ± 0.008°
• γ: 90°
• Cell volume: 1756.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.0877
• Goodness-of-fit parameter for all reflections: 0.916
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No