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Information card for entry 7209619
Preview
Coordinates | 7209619.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H36 Cl F4 I2 P |
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Calculated formula | C22 H36 Cl F4 I2 P |
Title of publication | Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes |
Authors of publication | Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L. |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 16 |
Pages of publication | 3168 |
a | 14.4599 ± 0.0002 Å |
b | 14.9417 ± 0.0002 Å |
c | 15.0638 ± 0.0002 Å |
α | 90° |
β | 117.683 ± 0.001° |
γ | 90° |
Cell volume | 2882.07 ± 0.07 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0269 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0492 |
Weighted residual factors for all reflections included in the refinement | 0.0537 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7209619.html
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Users of the data should acknowledge the original authors of the
structural data.