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Information card for entry 7102708
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Coordinates | 7102708.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,6-dicianohexane 1,8-diiodohexadecafluorohexane |
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Formula | C16 H12 F16 I2 N2 |
Calculated formula | C16 H12 F16 I2 N2 |
SMILES | IC(F)(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F.N#CCCCCCCC#N |
Title of publication | Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding. |
Authors of publication | Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 13 |
Pages of publication | 1492 - 1493 |
a | 5.4008 ± 0.0016 Å |
b | 7.214 ± 0.002 Å |
c | 16.065 ± 0.004 Å |
α | 88.713 ± 0.008° |
β | 87.854 ± 0.008° |
γ | 72.453 ± 0.01° |
Cell volume | 596.3 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0431 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.0712 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7102708.html
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