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Information card for entry 7010841
Preview
Coordinates | 7010841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H21 Ni O P |
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Calculated formula | C26 H21 Ni O P |
SMILES | [Ni]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#CC=O)[cH]5[cH]1[cH]2[cH]3[cH]45 |
Title of publication | Synthesis, characterisation and some reactions of alkynyl derivatives [Ni(η5-C5H5)(PPh3)CCX] |
Authors of publication | John F. Gallagher; Peter Butler; Richard D. A. Hudson; Anthony R. Manning |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 1 |
Pages of publication | 75 - 82 |
a | 10.2026 ± 0.0014 Å |
b | 16.4365 ± 0.0018 Å |
c | 26.152 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4385.6 ± 0.8 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1684 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7010841.html
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