Information card for entry 7709911

Structure parameters

• Formula: C72 H162 Na2 O26 Si6 Ti2
• Calculated formula: C72 H162 Na2 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: 13.4625 ± 0.0005 Å
• b: 23.752 ± 0.0009 Å
• c: 31.8025 ± 0.0012 Å
• α: 90°
• β: 99.8591 ± 0.0008°
• γ: 90°
• Cell volume: 10019 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No