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Information card for entry 4127287
Preview
| Coordinates | 4127287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H24 Cu4 F4 N5 O16 |
|---|---|
| Calculated formula | C52 H24 Cu4 F4 N5 O16 |
| Title of publication | Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism. |
| Authors of publication | Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 10.488 ± 0.002 Å |
| b | 10.412 ± 0.002 Å |
| c | 15.057 ± 0.003 Å |
| α | 90° |
| β | 107.13 ± 0.03° |
| γ | 90° |
| Cell volume | 1571.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.2463 |
| Weighted residual factors for all reflections included in the refinement | 0.2517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219558 (current) | 2019-10-28 | cif/ Adding structures of 4127287 via cif-deposit CGI script. |
4127287.cif |
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