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Information card for entry 7034695
Preview
Coordinates | 7034695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H10 F5 N2 O4 Re |
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Calculated formula | C12 H10 F5 N2 O4 Re |
SMILES | Fc1c(Cn2c([n+](cc2)C)C)c(F)c(F)c(F)c1F.[Re](=O)(=O)(=O)[O-] |
Title of publication | Influence of substituents on cation-anion contacts in imidazolium perrhenates. |
Authors of publication | Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 18 |
Pages of publication | 8669 - 8677 |
a | 13.197 ± 0.0002 Å |
b | 9.4355 ± 0.0002 Å |
c | 24.8443 ± 0.0005 Å |
α | 90° |
β | 96.309 ± 0.001° |
γ | 90° |
Cell volume | 3074.88 ± 0.1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0226 |
Residual factor for significantly intense reflections | 0.0168 |
Weighted residual factors for significantly intense reflections | 0.0352 |
Weighted residual factors for all reflections included in the refinement | 0.0367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
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/7034695.html
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Users of the data should acknowledge the original authors of the
structural data.