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Information card for entry 7211356
Preview
Coordinates | 7211356.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H14 F5 N3 |
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Calculated formula | C27 H14 F5 N3 |
SMILES | n1ccc(cc1)c1nc(cc(c1)c1ccc(cc1)c1c(c(c(c(c1F)F)F)F)F)c1ccncc1 |
Title of publication | Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers? |
Authors of publication | Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R. |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 46 |
Pages of publication | 10068 |
a | 10.6918 ± 0.0011 Å |
b | 17.4451 ± 0.0017 Å |
c | 10.9674 ± 0.0011 Å |
α | 90° |
β | 96.054 ± 0.004° |
γ | 90° |
Cell volume | 2034.2 ± 0.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0296 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7211356.html
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