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Information card for entry 1549883
Preview
| Coordinates | 1549883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | decaaquodisodium 4-[2-(3-pyridyl)diazenyl]-benzoate |
|---|---|
| Formula | C12 H18 N3 Na O7 |
| Calculated formula | C12 H18 N3 Na O7 |
| SMILES | c1ccc(cn1)/N=N/c1ccc(C(=O)[O-])cc1.[Na+].O.O.O.O.O |
| Title of publication | Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. |
| Authors of publication | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 42 |
| Pages of publication | 8150 - 8159 |
| a | 6.5197 ± 0.0006 Å |
| b | 35.222 ± 0.003 Å |
| c | 7.231 ± 0.0007 Å |
| α | 90° |
| β | 102.838 ± 0.01° |
| γ | 90° |
| Cell volume | 1619 ± 0.3 Å3 |
| Cell temperature | 119.99 ± 0.14 K |
| Ambient diffraction temperature | 119.99 ± 0.14 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 | 0.1114 |
| Residual factor for significantly intense reflections | 0.0911 |
| Weighted residual factors for significantly intense reflections | 0.1631 |
| Weighted residual factors for all reflections included in the refinement | 0.1714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228698 (current) | 2019-11-17 | cif/ Updating files of 1549883, 1549884, 1549885, 1549886 Original log message: Adding full bibliography for 1549883--1549886.cif. |
1549883.cif |
| 210505 | 2018-09-07 | cif/ Adding structures of 1549883, 1549884, 1549885, 1549886 via cif-deposit CGI script. |
1549883.cif |
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Users of the data should acknowledge the original authors of the
structural data.