Information card for entry 7720767

Structure parameters

• Formula: C31 H41 Ce N12 O
• Calculated formula: C31 H41 Ce N12 O
• 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: 8.3105 ± 0.0005 Å
• b: 20.9901 ± 0.0012 Å
• c: 19.3244 ± 0.0011 Å
• α: 90°
• β: 102.209 ± 0.001°
• γ: 90°
• Cell volume: 3294.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No