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Information card for entry 7115209
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7115209.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,3-Bis(ferrocenyl)allylium hexafluorophosphate |
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Formula | C23 H21 F6 Fe2 P |
Calculated formula | C23 H18 F6 Fe2 P |
Title of publication | Effect of the end-groups upon delocalisation in polymethines: the first crystallographically characterised bond-alternated cyanine |
Authors of publication | Barlow, Stephen; Henling, Lawrence M.; Day, Michael W.; Marder, Seth R.; Marder, Seth R. |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 16 |
Pages of publication | 1567 |
a | 14.42 ± 0.003 Å |
b | 12.267 ± 0.002 Å |
c | 24.062 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4256.3 ± 1.4 Å3 |
Cell temperature | 83 K |
Ambient diffraction temperature | 83 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1011 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.1281 |
Weighted residual factors for all reflections included in the refinement | 0.1327 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.656 |
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/7115209.html
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