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Information card for entry 4126771
Preview
| Coordinates | 4126771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H16 Co O5 S4 |
|---|---|
| Calculated formula | C30 H16 Co O5 S4 |
| Title of publication | Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane. |
| Authors of publication | Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 11.8423 ± 0.0006 Å |
| b | 12.3007 ± 0.0005 Å |
| c | 25.9703 ± 0.0012 Å |
| α | 90° |
| β | 91.921 ± 0.004° |
| γ | 90° |
| Cell volume | 3780.9 ± 0.3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 5 |
| 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 | 0.1664 |
| Residual factor for significantly intense reflections | 0.0929 |
| Weighted residual factors for significantly intense reflections | 0.2194 |
| Weighted residual factors for all reflections included in the refinement | 0.2472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203642 (current) | 2017-11-28 | cif/ Adding structures of 4126771 via cif-deposit CGI script. |
4126771.cif |
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Users of the data should acknowledge the original authors of the
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