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Information card for entry 7019182
Preview
| Coordinates | 7019182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H58 N10 O4 U2 |
|---|---|
| Calculated formula | C68 H58 N10 O4 U2 |
| SMILES | C1=[N]2[U]34(n5c(ccc5C(c5ccc1n45)(CC)CC)C=[N]3c1cccc3cc4cccc([N]5=Cc6n7[U]85(=O)([n]5ccccc5)([N](=Cc5n8c(C(c7cc6)(CC)CC)cc5)c5cccc6cc7cccc2c7cc56)=O)c4cc13)(=O)=O.n1ccccc1 |
| Title of publication | Co-linear, double-uranyl coordination by an expanded Schiff-base polypyrrole macrocycle. |
| Authors of publication | Arnold, Polly L.; Jones, Guy M.; Pan, Qing-Jiang; Schreckenbach, Georg; Love, Jason B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 22 |
| Pages of publication | 6595 - 6597 |
| a | 13.514 Å |
| b | 17.991 Å |
| c | 23.478 Å |
| α | 90° |
| β | 92.44° |
| γ | 90° |
| Cell volume | 5703.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0866 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7019182.cif |
| 179895 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/91. |
7019182.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019182.cif |
| 60461 | 2012-06-14 | cif/ Adding structures of 7019182 via cif-deposit CGI script. |
7019182.cif |
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Users of the data should acknowledge the original authors of the
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