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Information card for entry 7225295
Preview
| Coordinates | 7225295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H51 Cu2 N12 O44 W10 |
|---|---|
| Calculated formula | C51 H51 Cu2 N12 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 | 12.8423 ± 0.0008 Å |
| b | 12.9467 ± 0.0008 Å |
| c | 23.9678 ± 0.0014 Å |
| α | 81.481 ± 0.001° |
| β | 86.357 ± 0.001° |
| γ | 70.63 ± 0.001° |
| Cell volume | 3717.5 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.1221 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183045 (current) | 2016-05-20 | cif/ Adding structures of 7225295, 7225296 via cif-deposit CGI script. |
7225295.cif |
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