Information card for entry 2240535

Structure parameters

• Chemical name: (1,3-Di-<i>tert</i>-butyl-η^5^-cyclopentadienyl)trimethylhafnium(IV)
• Formula: C16 H30 Hf
• Calculated formula: C16 H30 Hf
• SMILES: C[Hf]1234(C)(C)[c]5([cH]1[c]2([cH]3[cH]45)C(C)(C)C)C(C)(C)C
• Title of publication: Crystal structure of (1,3-di-<i>tert</i>-butyl-η^5^-cyclopentadienyl)trimethylhafnium(IV)
• Authors of publication: Pérez-Redondo, Adrián; Varela-Izquierdo, Víctor; Yélamos, Carlos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m100 - m101
• a: 13.238 ± 0.003 Å
• b: 9.613 ± 0.002 Å
• c: 14.486 ± 0.003 Å
• α: 90°
• β: 109.63 ± 0.02°
• γ: 90°
• Cell volume: 1736.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes