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Information card for entry 7225575
Preview
| Coordinates | 7225575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H66 Mn3 N12 O17.5 |
|---|---|
| Calculated formula | C60 H66 Mn3 N12 O17.5 |
| Title of publication | In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks |
| Authors of publication | Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 29 |
| Pages of publication | 5429 |
| a | 11.5248 ± 0.0006 Å |
| b | 15.4562 ± 0.0009 Å |
| c | 18.8105 ± 0.0011 Å |
| α | 91.181 ± 0.003° |
| β | 98.392 ± 0.003° |
| γ | 107.518 ± 0.003° |
| Cell volume | 3153.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1276 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for significantly intense reflections | 0.2335 |
| Weighted residual factors for all reflections included in the refinement | 0.2719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185264 (current) | 2016-08-07 | cif/ Updating files of 7225572, 7225573, 7225574, 7225575 Original log message: Adding full bibliography for 7225572--7225575.cif. |
7225575.cif |
| 183654 | 2016-06-17 | cif/ Adding structures of 7225572, 7225573, 7225574, 7225575 via cif-deposit CGI script. |
7225575.cif |
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Users of the data should acknowledge the original authors of the
structural data.