Information card for entry 1540492

Structure parameters

• Common name: {H3N(CH2)4NH3}[Fe2(C2O4)3](H2O)6
• Formula: C10 H26 Fe2 N2 O18
• Calculated formula: C10 H26 Fe2 N2 O18
• Title of publication: A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework
• Authors of publication: Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1349
• a: 8.2586 ± 0.0009 Å
• b: 15.8638 ± 0.0017 Å
• c: 9.4209 ± 0.001 Å
• α: 90°
• β: 113.19 ± 0.001°
• γ: 90°
• Cell volume: 1134.5 ± 0.2 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: 0.0205
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No