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Information card for entry 7225296
Preview
| Coordinates | 7225296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H51 Cu2 N10 O44 W10 |
|---|---|
| Calculated formula | C50 H48 Cu2 N10 O44 W10 |
| Title of publication | A breathing MOF: Direct crystallographic observation of the site-selective C(sp3)‒H functionalization |
| Authors of publication | Shi, Dongying; Zeng, Le; Ming, Zheng; He, Cheng; Meng, Changgong; Duan, Chun-ying |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 13.0242 ± 0.0007 Å |
| b | 13.7795 ± 0.0008 Å |
| c | 23.9552 ± 0.0014 Å |
| α | 81.259 ± 0.003° |
| β | 86.49 ± 0.003° |
| γ | 70.046 ± 0.002° |
| Cell volume | 3993.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1052 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.2015 |
| Weighted residual factors for all reflections included in the refinement | 0.2181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183045 (current) | 2016-05-20 | cif/ Adding structures of 7225295, 7225296 via cif-deposit CGI script. |
7225296.cif |
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