Information card for entry 7709916

Structure parameters

• Formula: C40 H91 N O12 Si3 Ti
• Calculated formula: C40 H91 N O12 Si3 Ti
• 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: 13.5226 ± 0.0008 Å
• b: 21.9475 ± 0.0013 Å
• c: 19.2826 ± 0.0012 Å
• α: 90°
• β: 105.466 ± 0.0011°
• γ: 90°
• Cell volume: 5515.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No