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Information card for entry 8107165
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Coordinates | 8107165.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H7 I N2 O2 |
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Calculated formula | C6 H7 I N2 O2 |
Title of publication | The crystal structure of 3-amino-5-carboxypyridin-1-ium iodide, C6H7IN2O2 |
Authors of publication | Cui, Mengbing; Li, Yong; Chen, Heng; Wang, Hui; Zeng, Yan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 4 |
Pages of publication | 605 - 606 |
a | 7.4522 ± 0.0004 Å |
b | 7.4741 ± 0.0005 Å |
c | 8.3144 ± 0.0005 Å |
α | 90.036 ± 0.003° |
β | 99.808 ± 0.003° |
γ | 117.724 ± 0.002° |
Cell volume | 402.25 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0171 |
Residual factor for significantly intense reflections | 0.0156 |
Weighted residual factors for significantly intense reflections | 0.0362 |
Weighted residual factors for all reflections included in the refinement | 0.0367 |
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 |
Revision | Date | Message | Files |
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283648 (current) | 2023-05-10 | cif/ Adding structures of 8107165 via cif-deposit CGI script. |
8107165.cif |
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Users of the data should acknowledge the original authors of the
structural data.