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Information card for entry 4104921
Preview
Coordinates | 4104921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H17 F6 Fe N O6 S2 |
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Calculated formula | C28 H17 F6 Fe N O6 S2 |
SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81c1[o+]c2c3c(c1)cccc3C(=O)c1ccccc21.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F |
Title of publication | Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts |
Authors of publication | Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 12112 - 12124 |
a | 11.535 ± 0.003 Å |
b | 10.241 ± 0.003 Å |
c | 23.567 ± 0.007 Å |
α | 90° |
β | 101.126 ± 0.0011° |
γ | 90° |
Cell volume | 2731.6 ± 1.3 Å3 |
Cell temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for all reflections included in the refinement | 0.1498 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.7107 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/4104921.html
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