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Information card for entry 7211717
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7211717.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis(tetraethylammonium thiocyanate), 1,4-diiodotetrafluorobenzene |
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Formula | C48 H40 F20 I10 N4 S2 |
Calculated formula | C48 H40 F20 I10 N4 S2 |
Title of publication | The thiocyanate anion as a polydentate halogen bond acceptor |
Authors of publication | Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 558 |
a | 16.4673 ± 0.0012 Å |
b | 16.426 ± 0.0014 Å |
c | 24.711 ± 0.002 Å |
α | 90° |
β | 91.847 ± 0.003° |
γ | 90° |
Cell volume | 6680.7 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/a 1 |
Hall space group symbol | -P 2ya |
Residual factor for all reflections | 0.0763 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1496 |
Weighted residual factors for all reflections included in the refinement | 0.1542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.216 |
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/7211717.html
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