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Information card for entry 7039242
Preview
Coordinates | 7039242.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 N4 O12 U2 |
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Calculated formula | C18 H22 N4 O12 U2 |
SMILES | CC(=[N]1O)c2cccc[n]2[U]123(=O)(=O)(OC(=[O]3)C)[O]1[O]2[U]213([n]1c(C(=[N]3O)C)cccc1)(=O)(=O)[O]=C(C)O2 |
Title of publication | Binding of oxime group to uranyl ion. |
Authors of publication | Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 22 |
Pages of publication | 9307 - 9319 |
a | 8.7891 ± 0.0003 Å |
b | 11.15 ± 0.0003 Å |
c | 13.054 ± 0.0004 Å |
α | 90° |
β | 108.448 ± 0.001° |
γ | 90° |
Cell volume | 1213.53 ± 0.06 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0769 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1249 |
Weighted residual factors for all reflections included in the refinement | 0.1455 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7039242.html
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