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Information card for entry 4067797
Preview
Coordinates | 4067797.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H41 Co |
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Calculated formula | C57 H41 Co |
SMILES | [Co]1234567([C]8(=[C]1([C]2(=[C]38c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)[cH]1[cH]4[cH]5[cH]6[cH]71 |
Title of publication | An Improved Protocol for the Synthesis of [(η4-C4R4)Co(η5-C5H5)] Complexes |
Authors of publication | Bertrand, Guillaume; Tortech, Ludovic; Fichou, Denis; Malacria, Max; Aubert, Corinne; Gandon, Vincent |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 1 |
Pages of publication | 126 |
a | 17.906 ± 0.011 Å |
b | 11.782 ± 0.007 Å |
c | 22.282 ± 0.013 Å |
α | 90° |
β | 94.45 ± 0.04° |
γ | 90° |
Cell volume | 4687 ± 5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0908 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1937 |
Weighted residual factors for all reflections included in the refinement | 0.226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/4067797.html
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Users of the data should acknowledge the original authors of the
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