Information card for entry 4327848

Structure parameters

• Formula: C6 H16 Gd N3 O14
• Calculated formula: C6 H16 Gd N3 O14
• SMILES: [Gd]12345(ON(=[O]2)=O)(ON(=[O]1)=O)([O]=N(=O)O4)([OH][C@@H]([C@@H]([OH]3)CO)C[OH]5)[OH]CC.[Gd]12345(ON(=[O]2)=O)(ON(=[O]1)=O)([O]=N(=O)O4)([OH][C@H]([C@H]([OH]3)CO)C[OH]5)[OH]CC
• 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: 7.8146 ± 0.0016 Å
• b: 12.839 ± 0.003 Å
• c: 15.207 ± 0.003 Å
• α: 90°
• β: 100.68 ± 0.03°
• γ: 90°
• Cell volume: 1499.3 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0425
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No