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Information card for entry 4122388
Preview
Coordinates | 4122388.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56.5 H42 Cl2 O2 P2 Ru |
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Calculated formula | C56 H41 Cl O2 P2 Ru |
SMILES | [Ru](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(/C=C/c1ccc2ccc3cccc4ccc1c2c34)(C#[O])C#[O] |
Title of publication | A Chromo-Fluorogenic Synthetic "Canary" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex. |
Authors of publication | Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 34 |
Pages of publication | 11930 - 11933 |
a | 10.2934 ± 0.0002 Å |
b | 14.2153 ± 0.0004 Å |
c | 17.9941 ± 0.0005 Å |
α | 101.858 ± 0.003° |
β | 99.784 ± 0.002° |
γ | 104.373 ± 0.002° |
Cell volume | 2427.39 ± 0.12 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4122388.html
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