Information card for entry 2230093

Structure parameters

• Chemical name: Tris(η^5^-cyclopentadienyl)hafnium(III)
• Formula: C15 H15 Hf
• Calculated formula: C15 H15 Hf
• SMILES: [cH]12[cH]3[Hf]456789%10%11%12%132([cH]1[cH]4[cH]3%11)([cH]1[cH]9[cH]%12[cH]7[cH]51)[cH]1[cH]%10[cH]%13[cH]8[cH]61
• Title of publication: Tris(η^5^-cyclopentadienyl)hafnium(III)
• Authors of publication: Burlakov, Vladimir V.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m629
• a: 7.9772 ± 0.0004 Å
• b: 7.9772 Å
• c: 10.2975 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 567.5 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes