Information card for entry 7709915

Structure parameters

• Formula: C72 H162 Li2 O26 Si6 Ti2
• Calculated formula: C72 H162 Li2 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: 13.5666 ± 0.0005 Å
• b: 13.5671 ± 0.0005 Å
• c: 31.5352 ± 0.0012 Å
• α: 91.934 ± 0.002°
• β: 100.448 ± 0.0019°
• γ: 116.748 ± 0.0017°
• Cell volume: 5053.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No