Information card for entry 4332700

Structure parameters

• Formula: C20 H30 F6 Ti2
• Calculated formula: C20 H30 F6 Ti2
• Title of publication: The Solution Structures and Dynamics and the Solid-State Structures of Substituted Cyclopentadienyltitanium(IV) Trifluorides
• Authors of publication: Perdih, Franc; Pevec, Andrej; Petriček, Saša; Petrič, Andrej; Lah, Nina; Kogej, Ksenija; Demšar, Alojz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7915 - 7921
• a: 8.351 ± 0.0002 Å
• b: 26.9203 ± 0.0007 Å
• c: 14.5747 ± 0.0004 Å
• α: 90°
• β: 93.8497 ± 0.0013°
• γ: 90°
• Cell volume: 3269.17 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1073
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No