Information card for entry 4331753

Structure parameters

• Chemical name: η^2^-[1,1,1,3,3,5,5,5-Octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]-η^1^-dichloro- η^1^-bis(tetrahydrofuranato)-zirconium
• Formula: C22 H58 Cl2 O4 Si7 Zr
• Calculated formula: C22 H58 Cl2 O4 Si7 Zr
• SMILES: [Zr]1(Cl)(Cl)(O[Si]([Si](C)(C)C)([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)O1)(C)C)[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†
• Authors of publication: Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3203 - 3211
• a: 10.4226 ± 0.0002 Å
• b: 22.8237 ± 0.0004 Å
• c: 17.9217 ± 0.0003 Å
• α: 90°
• β: 105.524 ± 0.001°
• γ: 90°
• Cell volume: 4107.72 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No