Information card for entry 7709910

Structure parameters

• Formula: C24 H54 O9 Si3
• Calculated formula: C24 H54 O9 Si3
• SMILES: [Si]1(OC(C)(C)C)(OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)O[Si](O1)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups
• Authors of publication: Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.6208 ± 0.0006 Å
• b: 11.9586 ± 0.0006 Å
• c: 14.0651 ± 0.0008 Å
• α: 100.242 ± 0.002°
• β: 109.429 ± 0.002°
• γ: 90.071 ± 0.002°
• Cell volume: 1654.32 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No