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Information card for entry 2022007
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Coordinates | 2022007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C H3 O3 |
---|---|
Calculated formula | C H3 O3 |
Title of publication | TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data |
Authors of publication | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria |
Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 3 |
a | 6.092 ± 0.0003 Å |
b | 3.4919 ± 0.0002 Å |
c | 11.8481 ± 0.0005 Å |
α | 90° |
β | 103.898 ± 0.002° |
γ | 90° |
Cell volume | 244.66 ± 0.02 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 3 |
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 | 0.0132 |
Residual factor for significantly intense reflections | 0.0132 |
Weighted residual factors for significantly intense reflections | 0.039 |
Weighted residual factors for all reflections included in the refinement | 0.039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1687 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2022007.html
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Users of the data should acknowledge the original authors of the
structural data.