Information card for entry 7720765

Structure parameters

• Formula: C56 H57 Ce N10 O3
• Calculated formula: C56 H57 Ce N10 O3
• Title of publication: CO2 uptake potential of cerium(III) triazolates and tetrazolates
• Authors of publication: Riedmaier, Jonas; Maichle-Moessmer, Caecilia; Anwander, Reiner
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 11.828 ± 0.0006 Å
• b: 19.2224 ± 0.001 Å
• c: 22.7962 ± 0.0012 Å
• α: 90°
• β: 98.382 ± 0.001°
• γ: 90°
• Cell volume: 5127.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No