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Information card for entry 4070418
Preview
Coordinates | 4070418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H24 F6 Fe N P |
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Calculated formula | C29 H24 F6 Fe N P |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1ccc(cc1)/C=C/c1cc[n+](cc1)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81.[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 | 21.9197 ± 0.0017 Å |
b | 10.1163 ± 0.0008 Å |
c | 22.2724 ± 0.0017 Å |
α | 90° |
β | 90.164 ± 0.002° |
γ | 90° |
Cell volume | 4938.8 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0787 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.0959 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4070418.html
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