Information card for entry 4327847

Structure parameters

• Formula: C4 H14 Ce N3 O15
• Calculated formula: C4 H14 Ce N3 O15
• SMILES: [Ce]12345([O]=N(=O)O1)(ON(=[O]2)=O)([OH][C@@H]([C@@H]([OH]3)C[OH]4)CO)([OH2])(ON(=[O]5)=O)[OH2]
• Title of publication: Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions
• Authors of publication: Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 499 - 510
• a: 7.8685 ± 0.0016 Å
• b: 13.304 ± 0.003 Å
• c: 13.323 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.7 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No