Information card for entry 7713016

Structure parameters

• Chemical name: [Hf(Cp')2(C3H5){Si(SiMe3)3}]
• Formula: C28 H58 Hf Si6
• Calculated formula: C28 H58 Hf Si6
• SMILES: [Hf]123456789%10([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([CH2]=[CH]1C2)([c]1([cH]6[cH]5[cH]4[cH]31)[Si](C)(C)C)[c]1([Si](C)(C)C)[cH]7[cH]8[cH]9[cH]%101
• Title of publication: Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes
• Authors of publication: Réant, Benjamin Luke Leonard; De Alwis Jayasinghe, Dukula Prathapa Bilesha; Wooles, Ashley; Liddle, Stephen; Mills, David P.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.3391 ± 0.0003 Å
• b: 32.143 ± 0.001 Å
• c: 11.9936 ± 0.0005 Å
• α: 90°
• β: 96.875 ± 0.003°
• γ: 90°
• Cell volume: 3574.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No