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Information card for entry 7224008
Preview
| Coordinates | 7224008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H42 N8 Ni O21 S3 U2 |
|---|---|
| Calculated formula | C53 H40 N8 Ni O20.9999 S3 U2 |
| Title of publication | Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate |
| Authors of publication | Thuéry, Pierre; Harrowfield, Jack |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 1550 |
| a | 13.8935 ± 0.0005 Å |
| b | 14.0662 ± 0.0008 Å |
| c | 18.2195 ± 0.0011 Å |
| α | 108.577 ± 0.002° |
| β | 110.263 ± 0.003° |
| γ | 97.592 ± 0.003° |
| Cell volume | 3046.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177763 (current) | 2016-03-05 | cif/ Updating files of 7224008, 7224009, 7224010, 7224011, 7224012, 7224013 Original log message: Adding full bibliography for 7224008--7224013.cif. |
7224008.cif |
| 175052 | 2016-01-26 | cif/ Adding structures of 7224008, 7224009, 7224010, 7224011, 7224012, 7224013 via cif-deposit CGI script. |
7224008.cif |
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Users of the data should acknowledge the original authors of the
structural data.