Information card for entry 7709912

Structure parameters

• Formula: C72 H162 K2 O26 Si6 Ti2
• Calculated formula: C72 H162 K2 O26 Si6 Ti2
• 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: 13.9466 ± 0.0004 Å
• b: 22.9279 ± 0.0006 Å
• c: 16.8771 ± 0.0004 Å
• α: 90°
• β: 108.689 ± 0.0005°
• γ: 90°
• Cell volume: 5112.2 ± 0.2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No