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Information card for entry 7230956
Preview
Coordinates | 7230956.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H10 O6 U |
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Calculated formula | C14 H10 O6 U |
Title of publication | Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study |
Authors of publication | Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 34 |
Pages of publication | 4916 |
a | 7.632 ± 0.006 Å |
b | 17.468 ± 0.009 Å |
c | 5.313 ± 0.005 Å |
α | 90° |
β | 95.791 ± 0.007° |
γ | 90° |
Cell volume | 704.7 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0141 |
Residual factor for significantly intense reflections | 0.0141 |
Weighted residual factors for significantly intense reflections | 0.0322 |
Weighted residual factors for all reflections included in the refinement | 0.0322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation probe | x-ray |
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/7230956.html
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Users of the data should acknowledge the original authors of the
structural data.