Information card for entry 4518885

Structure parameters

• Formula: C28.15 H31.67 Co2 N5.38 O16
• Calculated formula: C28.146 H31.674 Co2 N5.382 O15.998
• Title of publication: Oxalamide-Functionalized Metal Organic Frameworks for CO₂ Adsorption.
• Authors of publication: Güçlü, Yunus; Erer, Hakan; Demiral, Hakan; Altintas, Cigdem; Keskin, Seda; Tumanov, Nikolay; Su, Bao-Lian; Semerci, Fatih
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 33188 - 33198
• a: 14.0184 ± 0.0002 Å
• b: 12.9591 ± 0.0003 Å
• c: 26.4631 ± 0.0005 Å
• α: 90°
• β: 90.9254 ± 0.0015°
• γ: 90°
• Cell volume: 4806.81 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No