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CIF Information Card
Information card for 7015551
7015550 << 7015551 >> 7015552Preview
|
Coordinates |
7015551.cif |
Structure parameters
| Formula | - C44 H40 F24 N8 O P4 Ru - |
| Calculated formula | - C44 H38 F24 N8 O1 P4 Ru - |
| Title of publication | Water-soluble alkylated bis{4'-(4-pyridyl)-2,2':6',2''-terpyridine}ruthenium(ii) complexes for use as photosensitizers in water oxidation: a complementary experimental and TD-DFT investigation. |
| Authors of publication | Constable, Edwin C.; Devereux, Michael; Dunphy, Emma L.; Housecroft, Catherine E.; Rudd, Jennifer A.; Zampese, Jennifer A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 20 |
| Pages of publication | 5505 - 5515 |
| a | 18.322 ± 0.004 Å |
| b | 8.8509 ± 0.0018 Å |
| c | 31.688 ± 0.006 Å |
| α | 90° |
| β | 95.16 ± 0.03° |
| γ | 90° |
| Cell volume | 5117.9 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0935 |
| Residual factor for observed reflections | 0.0664 |
| Weighted residual factors for the observed reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for observed reflections | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |