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Information card for entry 7240778
Preview
| Coordinates | 7240778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 N2 O12 U |
|---|---|
| Calculated formula | C32 H38 N2 O12 U |
| SMILES | [U]123(=O)([O]=C(c4ccc(cc4)OC)O3)([O]=C(O1)c1ccc(cc1)OC)([O]=C(c1ccc(OC)cc1)O2)=O.n1(CC)cc[nH+]c1.CC(C)O |
| Title of publication | Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid |
| Authors of publication | Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 9.4519 ± 0.0004 Å |
| b | 28.081 ± 0.0011 Å |
| c | 13.1169 ± 0.0005 Å |
| α | 90° |
| β | 103.668 ± 0.003° |
| γ | 90° |
| Cell volume | 3382.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253431 (current) | 2020-06-25 | cif/ Adding structures of 7240777, 7240778, 7240779 via cif-deposit CGI script. |
7240778.cif |
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Users of the data should acknowledge the original authors of the
structural data.