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Information card for entry 4128100
Preview
| Coordinates | 4128100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H77 Co2 N4 O6 |
|---|---|
| Calculated formula | C68 H77 Co2 N4 O6 |
| Title of publication | Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework. |
| Authors of publication | Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 17 |
| Pages of publication | 6822 - 6826 |
| a | 30.049 ± 0.002 Å |
| b | 30.049 ± 0.002 Å |
| c | 53.137 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 47980 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 120 |
| Hermann-Mauguin space group symbol | I -4 c 2 |
| Hall space group symbol | I -4 -2c |
| Residual factor for all reflections | 0.1487 |
| Residual factor for significantly intense reflections | 0.0992 |
| Weighted residual factors for significantly intense reflections | 0.2509 |
| Weighted residual factors for all reflections included in the refinement | 0.2712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221232 (current) | 2019-11-03 | cif/ Adding structures of 4128100, 4128101, 4128102 via cif-deposit CGI script. |
4128100.cif |
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Users of the data should acknowledge the original authors of the
structural data.