Information card for entry 2240380

Structure parameters

• Chemical name: Di-<i>n</i>-butylbis(<i>η</i>^5^-pentamethylcyclopentadienyl)hafnium(IV)
• Formula: C28 H48 Hf
• Calculated formula: C28 H48 Hf
• SMILES: C(CCC)[Hf]12345678(CCCC)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Crystal structure of di-<i>n</i>-butylbis(<i>{η</i>}^5^-pentamethylcyclopentadienyl)hafnium(IV)
• Authors of publication: Arndt, Perdita; Schubert, Kathleen; Burlakov, Vladimir V.; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: m19 - m20
• a: 17.1572 ± 0.0003 Å
• b: 17.232 ± 0.0003 Å
• c: 17.2966 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5113.79 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes