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Information card for entry 7211716
Preview
Coordinates | 7211716.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tetraethylammonium thiocyanate, 1,3-diiodotetrafluorobenzene |
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Formula | C15 H20 F4 I2 N2 S |
Calculated formula | C15 H20 F4 I2 N2 S |
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 | 17.7404 ± 0.0008 Å |
b | 22.8074 ± 0.001 Å |
c | 12.1785 ± 0.0006 Å |
α | 90° |
β | 126.259 ± 0.001° |
γ | 90° |
Cell volume | 3973.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0236 |
Residual factor for significantly intense reflections | 0.0216 |
Weighted residual factors for significantly intense reflections | 0.0531 |
Weighted residual factors for all reflections included in the refinement | 0.0544 |
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 | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7211716.html
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