Information card for entry 7713801

Structure parameters

• Formula: C27 H27 Eu N6 O9
• Calculated formula: C27 H27 Eu N6 O9
• SMILES: [Eu]123456(OC(=O)c7[n]4c(ccc7)C(=[O]1)N(C)C)(OC(=O)c1[n]5c(ccc1)C(=[O]2)N(C)C)OC(=O)c1[n]6c(ccc1)C(=[O]3)N(C)C
• Title of publication: Complexation of Am(III) and Eu(III) with DRAPA (N,N-dialkyl-6-amide-pyridine-2-carboxylic acid
• Authors of publication: Xu, Chao; Liu, Tingting; Liu, Qian; Yang, Suliang; Li, Dingming; Tian, Guoxin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.7029 ± 0.0008 Å
• b: 20.7207 ± 0.0013 Å
• c: 12.2192 ± 0.0007 Å
• α: 90°
• β: 107.685 ± 0.006°
• γ: 90°
• Cell volume: 3546.7 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0739
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No