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Information card for entry 7231946
Preview
Coordinates | 7231946.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H36 F5 I4 N Pt |
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Calculated formula | C22 H36 F5 I4 N Pt |
Title of publication | Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding |
Authors of publication | Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 4 |
Pages of publication | 616 |
a | 9.3533 ± 0.0005 Å |
b | 12.0866 ± 0.0007 Å |
c | 14.5096 ± 0.0006 Å |
α | 80.144 ± 0.004° |
β | 75.835 ± 0.004° |
γ | 78.965 ± 0.005° |
Cell volume | 1547.65 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0424 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0729 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/7231946.html
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structural data.