Information card for entry 2018743

Structure parameters

• Chemical name: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~- oxalato)dilanthanum(III)]
• Formula: C9 H10 La N2 O9
• Calculated formula: C9 H10 La N2 O9
• Title of publication: A novel La^III^-based metal‒organic framework (MOF) with a new topology: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~-oxalato)dilanthanum(III)]
• Authors of publication: Chen, Wen-Xian; Liu, Qiu-Ping; Zhuang, Gui-Lin; Zhou, Sheng-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 5 - 7
• a: 13.022 ± 0.003 Å
• b: 4.9269 ± 0.001 Å
• c: 19.42 ± 0.004 Å
• α: 90°
• β: 92.54 ± 0.03°
• γ: 90°
• Cell volume: 1244.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes