Information card for entry 2227684

Structure parameters

• Chemical name: Iodidobis(η^5^-pentamethylcyclopentadienyl)titanium(III)
• Formula: C20 H30 I Ti
• Calculated formula: C20 H30 I Ti
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]16782345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)I)C)C)C)C
• Title of publication: Iodidobis(η^5^-pentamethylcyclopentadienyl)titanium(III)
• Authors of publication: Kessler, Monty; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1400
• a: 8.5513 ± 0.0003 Å
• b: 14.1353 ± 0.0005 Å
• c: 16.9547 ± 0.0006 Å
• α: 90°
• β: 103.158 ± 0.003°
• γ: 90°
• Cell volume: 1995.6 ± 0.12 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: 0.0432
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes