Information card for entry 7712818

Structure parameters

• Formula: C24 H29 Ce N5 O10
• Calculated formula: C12 H13 Ce0.5 N2.5 O5
• Title of publication: Two Novel Metal-Organic Frameworks functionalised with pentamethylcyclopentadienyl iridium(III) chloride for catalytic conversion of carbon dioxide to formate
• Authors of publication: Gumbo, Maureen; Makhubela, Banothile C.E.; Mehlana, Gift
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.0554 ± 0.0004 Å
• b: 11.1554 ± 0.0004 Å
• c: 13.6202 ± 0.0005 Å
• α: 68.712 ± 0.001°
• β: 86.023 ± 0.001°
• γ: 74.342 ± 0.001°
• Cell volume: 1370.03 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No