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Information card for entry 4310798
Preview
Coordinates | 4310798.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H8 N O4 P |
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Calculated formula | C6 H8 N O4 P |
SMILES | P(=O)(O)(O)Cc1n(=O)cccc1 |
Title of publication | Hydrogen Bonded Framework Structures Constructed from 2-(Pyridyl N-oxide) Methylphosphonic Acid Ligands and Erbium(III) |
Authors of publication | Xin-min Gan; Iris Binyamin; Brian M. Rapko; Jesse Fox; Eileen N. Duesler; Robert T. Paine |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 2443 - 2448 |
a | 4.5478 ± 0.0004 Å |
b | 8.214 ± 0.001 Å |
c | 20.204 ± 0.001 Å |
α | 90° |
β | 92.06 ± 0.01° |
γ | 90° |
Cell volume | 754.25 ± 0.12 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 | 0.0395 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
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/4310798.html
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