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Information card for entry 4314214
Preview
Coordinates | 4314214.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H16 N3 Nd O14 |
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Calculated formula | C6 H16 N3 Nd O14 |
SMILES | [Nd]12345([OH]C[C@H]([OH]1)[C@H]([OH]2)CO)([OH]CC)([O]=N(=O)O3)(ON(=[O]4)=O)ON(=O)=[O]5.[Nd]12345([OH]C[C@@H]([OH]1)[C@@H]([OH]2)CO)([OH]CC)([O]=N(=O)O3)(ON(=[O]4)=O)ON(=O)=[O]5 |
Title of publication | Interactions between Metal Ions and Carbohydrates. Coordination Behavior of Neutral Erythritol to Ca(II) and Lanthanide Ions |
Authors of publication | Limin Yang; Yunlan Su; Yizhuang Xu; Zheming Wang; Zonghui Guo; Shifu Weng; Chunhua Yan; Shiwei Zhang; Jinguang Wu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5844 - 5856 |
a | 7.9385 ± 0.0002 Å |
b | 13.014 ± 0.0003 Å |
c | 15.3331 ± 0.0005 Å |
α | 90° |
β | 101.572 ± 0.0011° |
γ | 90° |
Cell volume | 1551.89 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0761 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0571 |
Weighted residual factors for all reflections included in the refinement | 0.0654 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4314214.html
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Users of the data should acknowledge the original authors of the
structural data.