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Information card for entry 4070420
Preview
Coordinates | 4070420.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 F6 Fe N P S |
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Calculated formula | C26 H22 F6 Fe N P S |
SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[c]7([cH]81)c1ccc(cc1)/C=C/c1sc2ccccc2[n+]1C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors |
Authors of publication | Coe, Benjamin J.; Docherty, Rebecca J.; Foxon, Simon P.; Harper, Elizabeth C.; Helliwell, Madeleine; Raftery, James; Clays, Koen; Franz, Edith; Brunschwig, Bruce S. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 24 |
Pages of publication | 6880 |
a | 12.5672 ± 0.0013 Å |
b | 21.354 ± 0.002 Å |
c | 18.1605 ± 0.0019 Å |
α | 90° |
β | 104.181 ± 0.002° |
γ | 90° |
Cell volume | 4725 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0625 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.0953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/4070420.html
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Users of the data should acknowledge the original authors of the
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