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Information card for entry 1567090
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Coordinates | 1567090.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H6 Ga O5 |
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Calculated formula | C12 H6 Ga O5 |
Title of publication | How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks |
Authors of publication | Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao |
Journal of publication | IUCrJ |
Year of publication | 2022 |
Journal volume | 9 |
Journal issue | 4 |
a | 21.57 ± 0.003 Å |
b | 21.57 ± 0.003 Å |
c | 6.7 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3117.3 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 137 |
Hermann-Mauguin space group symbol | P 42/n m c :2 |
Hall space group symbol | -P 4ac 2a |
Residual factor for all reflections | 0.2065 |
Residual factor for significantly intense reflections | 0.188 |
Weighted residual factors for significantly intense reflections | 0.4609 |
Weighted residual factors for all reflections included in the refinement | 0.4714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.71 |
Diffraction radiation wavelength | 0.0251 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
275938 (current) | 2022-06-09 | cif/ Adding structures of 1567090 via cif-deposit CGI script. |
1567090.cif |
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Users of the data should acknowledge the original authors of the
structural data.