Information card for entry 7713015

Structure parameters

• Chemical name: [Th(Cp'')2(Cl){Si(SiMe3)3}]
• Formula: C31 H69 Cl Si8 Th
• Calculated formula: C31 H69 Cl Si8 Th
• SMILES: [Th]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[c]3([Si](C)(C)C)[cH]49)[c]1([Si](C)(C)C)[cH]5[cH]6[c]7([Si](C)(C)C)[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: 19.9729 ± 0.0011 Å
• b: 35.7285 ± 0.0005 Å
• c: 11.2395 ± 0.0006 Å
• α: 90°
• β: 144.858 ± 0.012°
• γ: 90°
• Cell volume: 4616.7 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No