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Information card for entry 1558321
Preview
Coordinates | 1558321.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H72 Co2 N28 S4 |
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Calculated formula | C84 H72 Co2 N28 S4 |
Title of publication | Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene |
Authors of publication | Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang |
Journal of publication | Chemical Science |
Year of publication | 2020 |
a | 13.6994 ± 0.0005 Å |
b | 20.4799 ± 0.0007 Å |
c | 21.1055 ± 0.0007 Å |
α | 78.892 ± 0.002° |
β | 73.265 ± 0.002° |
γ | 79.327 ± 0.002° |
Cell volume | 5511.1 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150.01 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 | 0.2223 |
Residual factor for significantly intense reflections | 0.1356 |
Weighted residual factors for significantly intense reflections | 0.3066 |
Weighted residual factors for all reflections included in the refinement | 0.3684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1558321.html
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Users of the data should acknowledge the original authors of the
structural data.