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Information card for entry 1542543
Preview
Coordinates | 1542543.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H6.2 N6 O0.1 |
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Calculated formula | C9 H6.2001 N6 O0.1 |
Title of publication | High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation. |
Authors of publication | Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 28 |
Pages of publication | 4991 - 4994 |
a | 12.657 ± 0.004 Å |
b | 12.657 ± 0.004 Å |
c | 9.296 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1289.7 ± 0.7 Å3 |
Cell temperature | 117 ± 2 K |
Ambient diffraction temperature | 117 ± 2 K |
Number of distinct elements | 4 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.0801 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1549 |
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/1542543.html
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Users of the data should acknowledge the original authors of the
structural data.