Information card for entry 4514528

Structure parameters

• Formula: C28 H21 Fe N4 O4
• Calculated formula: C28 H21 Fe N4 O4
• SMILES: [Fe]1234(Oc5c(C=[N]1NC(=[O]4)c1ccccc1)cccc5)Oc1ccccc1C=[N]3N=C(O2)c1ccccc1
• Title of publication: Stable Hydrazone-Linked Covalent Organic Frameworks Containing O,N,O'-Chelating Sites for Fe(III) Detection in Water.
• Authors of publication: Chen, Gui; Lan, Hai-Hang; Cai, Song-Liang; Sun, Bing; Li, Xin-Le; He, Zi-Hao; Zheng, Sheng-Run; Fan, Jun; Liu, Yi; Zhang, Wei-Guang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 12830 - 12837
• a: 20.896 ± 0.0014 Å
• b: 9.188 ± 0.0006 Å
• c: 12.12 ± 0.0006 Å
• α: 90°
• β: 96.406 ± 0.006°
• γ: 90°
• Cell volume: 2312.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No