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Information card for entry 7057359
Preview
Coordinates | 7057359.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 F4 I2 N2 |
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Calculated formula | C10 H10 F4 I2 N2 |
Title of publication | Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering |
Authors of publication | Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 13 |
Pages of publication | 10584 |
a | 6.1088 ± 0.0003 Å |
b | 9.4013 ± 0.0006 Å |
c | 12.4113 ± 0.0007 Å |
α | 103.403 ± 0.005° |
β | 96.182 ± 0.004° |
γ | 95.921 ± 0.005° |
Cell volume | 683.27 ± 0.07 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0467 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/7057359.html
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Users of the data should acknowledge the original authors of the
structural data.