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Information card for entry 7230846
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Coordinates | 7230846.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | phthalonitrile |
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Formula | C8 H3 I N2 |
Calculated formula | C8 H3 I N2 |
Title of publication | Halogen bonding driven crystal engineering of iodophthalonitrile derivatives |
Authors of publication | Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 27 |
Pages of publication | 3858 |
a | 7.9954 ± 0.0006 Å |
b | 15.2187 ± 0.0011 Å |
c | 7.5106 ± 0.0005 Å |
α | 90° |
β | 116.649 ± 0.004° |
γ | 90° |
Cell volume | 816.81 ± 0.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0486 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7230846.html
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