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Information card for entry 4313479
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Coordinates | 4313479.cif |
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Original paper (by DOI) | HTML |
Common name | PR-Me-3,2-HOPO |
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Chemical name | 3-Hydroxy-1-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid propylamide |
Formula | C10 H14 N2 O3 |
Calculated formula | C10 H14 N2 O3 |
SMILES | O=c1n(C)ccc(c1O)C(=O)NCCC |
Title of publication | Thorium(IV) Complexes of Bidentate Hydroxypyridinonates1 |
Authors of publication | Jide Xu; Donald W. Whisenhunt; Alan C. Veeck; Linda C. Uhlir; Kenneth N. Raymond |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2665 - 2674 |
a | 8.1492 ± 0.0007 Å |
b | 11.126 ± 0.0009 Å |
c | 23.402 ± 0.002 Å |
α | 87.569 ± 0.001° |
β | 86.592 ± 0.001° |
γ | 87.48 ± 0.001° |
Cell volume | 2114.3 ± 0.3 Å3 |
Cell temperature | 134 ± 2 K |
Ambient diffraction temperature | 134 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0914 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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