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Information card for entry 7231945
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Coordinates | 7231945.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H72 I6 N2 Pt2 |
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Calculated formula | C32 H72 I6 N2 Pt2 |
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 | 14.5589 ± 0.0003 Å |
b | 13.8558 ± 0.0003 Å |
c | 23.7553 ± 0.0004 Å |
α | 90° |
β | 101.602 ± 0.002° |
γ | 90° |
Cell volume | 4694.13 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0299 |
Residual factor for significantly intense reflections | 0.0219 |
Weighted residual factors for significantly intense reflections | 0.0385 |
Weighted residual factors for all reflections included in the refinement | 0.0406 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7231945.html
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Users of the data should acknowledge the original authors of the
structural data.