Information card for entry 7713012

Structure parameters

• Chemical name: [Hf(Cp')2(Cl){Si(SiMe3)3}]
• Formula: C25 H53 Cl Hf Si6
• Calculated formula: C25 H53 Cl Hf Si6
• SMILES: [Hf]12345678(Cl)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([c]9([cH]4[cH]3[cH]2[cH]19)[Si](C)(C)C)[c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81
• 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: 12.6504 ± 0.0003 Å
• b: 15.5103 ± 0.0003 Å
• c: 19.096 ± 0.0005 Å
• α: 90°
• β: 106.407 ± 0.003°
• γ: 90°
• Cell volume: 3594.28 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No