Information card for entry 7209993

Structure parameters

• Formula: C8 H14 N2 O9 Sr
• Calculated formula: C8 H14 N2 O9 Sr
• SMILES: C(=O)([O-])CN1C(=O)CN(CC(=O)[O-])C(=O)C1.[Sr]([OH2])([OH2])[OH2]
• Title of publication: The effect of earth metal ion on the property of peptide-based metal‒organic frameworks
• Authors of publication: Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 5545
• a: 23.6213 ± 0.0016 Å
• b: 6.9431 ± 0.0005 Å
• c: 8.0865 ± 0.0004 Å
• α: 90°
• β: 104.072 ± 0.009°
• γ: 90°
• Cell volume: 1286.43 ± 0.15 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No