Information card for entry 7713014

Structure parameters

• Chemical name: [Hf(Cp'')(Cp')(Cl){Si(SiMe3)3}]
• Formula: C30.5 H67 Cl Hf Si7
• Calculated formula: C28 H61 Cl Hf Si7
• SMILES: [Hf]12345678(Cl)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([c]9([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]49)[cH]1[c]5([cH]6[cH]7[c]81[Si](C)(C)C)[Si](C)(C)C
• 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: 13.53762 ± 0.00007 Å
• b: 16.04434 ± 0.00007 Å
• c: 19.91805 ± 0.00009 Å
• α: 90°
• β: 100.031 ± 0.0004°
• γ: 90°
• Cell volume: 4260.11 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No