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Information card for entry 8104655
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Coordinates | 8104655.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H16 I2 N4 O5 |
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Calculated formula | C12 H16 I2 N4 O5 |
Title of publication | The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5 |
Authors of publication | Huang, Guang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2021 |
Journal volume | 236 |
Journal issue | 5 |
Pages of publication | 1021 - 1022 |
a | 9.83 ± 0.0004 Å |
b | 5.3338 ± 0.0002 Å |
c | 17.404 ± 0.0008 Å |
α | 90° |
β | 105.493 ± 0.002° |
γ | 90° |
Cell volume | 879.36 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0168 |
Residual factor for significantly intense reflections | 0.0139 |
Weighted residual factors for significantly intense reflections | 0.0298 |
Weighted residual factors for all reflections included in the refinement | 0.0306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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273483 (current) | 2022-03-07 | cif/ Adding structures of 8104655 via cif-deposit CGI script. |
8104655.cif |
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Users of the data should acknowledge the original authors of the
structural data.