Information card for entry 2203995

Structure parameters

• Chemical name: Trichloro(η^5^-1,2,3-cyclopentadienyl)titanium(IV)
• Formula: C8 H11 Cl3 Ti
• Calculated formula: C8 H11 Cl3 Ti
• SMILES: [Ti]1234([cH]5[c]4([c]3([c]2([cH]15)C)C)C)(Cl)(Cl)Cl
• Title of publication: Trichloro(η^5^-1,2,3-trimethylcyclopentadienyl)titanium(IV)
• Authors of publication: Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír; Holeček, Jaroslav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1120 - m1121
• a: 6.679 ± 0.0002 Å
• b: 8.336 ± 0.0003 Å
• c: 10.712 ± 0.0004 Å
• α: 82.907 ± 0.0019°
• β: 83.34 ± 0.002°
• γ: 67.368 ± 0.002°
• Cell volume: 544.74 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes