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Information card for entry 7202209
Preview
Coordinates | 7202209.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8- hexadecafluoro-1,8-diiodooctane |
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Chemical name | trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane |
Formula | C18 H8 F16 I2 N4 |
Calculated formula | C18 H8 F16 I2 N4 |
SMILES | IC(C(F)(F)C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.c1(ccncc1)/N=N/c1ccncc1 |
Title of publication | Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group |
Authors of publication | Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo |
Journal of publication | CrystEngComm |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 9 |
Pages of publication | 1132 |
a | 5.2482 ± 0.0007 Å |
b | 8.6925 ± 0.0014 Å |
c | 13.289 ± 0.002 Å |
α | 84.316 ± 0.007° |
β | 86.245 ± 0.007° |
γ | 88.241 ± 0.008° |
Cell volume | 601.79 ± 0.16 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0278 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0628 |
Weighted residual factors for all reflections included in the refinement | 0.0642 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/7202209.html
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Users of the data should acknowledge the original authors of the
structural data.