Information card for entry 7720497

Structure parameters

• Formula: C32.65 H43.13 N7.55 Ni2 O13.55
• Calculated formula: C32.68 H43.2 N7.56 Ni2 O13.56
• Title of publication: Dual-function Ni-based MOF for hydrogen storage and CO₂ to carbonate cyclic catalysis.
• Authors of publication: García-Rojas, Elena; Montes-Andrés, Helena; Tapiador, Jesús; Martos, Carmen; Salcedo-Abraira, Pablo; Choquesillo-Lazarte, Duane; Orcajo, Gisela; Leo, Pedro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 761 - 774
• a: 13.7192 ± 0.0012 Å
• b: 13.7192 ± 0.0012 Å
• c: 45.094 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8487.4 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.171
• Residual factor for significantly intense reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.2402
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No