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Information card for entry 4126773
Preview
| Coordinates | 4126773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H32 Co2 O8 S8 |
|---|---|
| Calculated formula | C60 H32 Co2 O8 S8 |
| 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 | 11.2611 ± 0.0011 Å |
| b | 12.2636 ± 0.0011 Å |
| c | 21.838 ± 0.003 Å |
| α | 90° |
| β | 99.105 ± 0.011° |
| γ | 90° |
| Cell volume | 2977.9 ± 0.6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1822 |
| Residual factor for significantly intense reflections | 0.1264 |
| Weighted residual factors for significantly intense reflections | 0.2998 |
| Weighted residual factors for all reflections included in the refinement | 0.3339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203644 (current) | 2017-11-28 | cif/ Adding structures of 4126773 via cif-deposit CGI script. |
4126773.cif |
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Users of the data should acknowledge the original authors of the
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