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Information card for entry 7234932
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Coordinates | 7234932.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H4 I5 K O4 |
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Calculated formula | C7 I5 K O4 |
Title of publication | Halogen bonding in the structures of pentaiodobenzoic acid and its salts |
Authors of publication | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 43 |
Pages of publication | 6666 |
a | 37.861 ± 0.003 Å |
b | 9.2563 ± 0.0005 Å |
c | 9.274 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3250.1 ± 0.4 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 5 |
Space group number | 64 |
Hermann-Mauguin space group symbol | C m c e |
Hall space group symbol | -C 2ac 2 |
Residual factor for all reflections | 0.0356 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation probe | x-ray |
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/7234932.html
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Users of the data should acknowledge the original authors of the
structural data.