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Information card for entry 4085525
Preview
Coordinates | 4085525.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H42 P2 Ru |
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Calculated formula | C52 H42 P2 Ru |
SMILES | [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#CC#Cc5ccc(cc5)C)[cH]5[cH]1[cH]2[cH]3[cH]45 |
Title of publication | Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions |
Authors of publication | Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 11 |
Pages of publication | 2395 |
a | 12.9342 ± 0.0009 Å |
b | 23.3662 ± 0.0017 Å |
c | 13.31 ± 0.001 Å |
α | 90° |
β | 98.512 ± 0.002° |
γ | 90° |
Cell volume | 3978.3 ± 0.5 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
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 | 0.086 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0733 |
Weighted residual factors for all reflections included in the refinement | 0.0837 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4085525.html
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Users of the data should acknowledge the original authors of the
structural data.