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Information card for entry 4127288
Preview
| Coordinates | 4127288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H6 Cu F N O4 |
|---|---|
| Calculated formula | C13 H6 Cu F N O4 |
| 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 | 10.4862 ± 0.0002 Å |
| b | 10.5374 ± 0.0003 Å |
| c | 15.0449 ± 0.0004 Å |
| α | 90° |
| β | 106.838 ± 0.003° |
| γ | 90° |
| Cell volume | 1591.15 ± 0.07 Å3 |
| Cell temperature | 298 ± 0.1 K |
| Ambient diffraction temperature | 298 ± 0.1 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 | 0.0544 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219559 (current) | 2019-10-28 | cif/ Adding structures of 4127288 via cif-deposit CGI script. |
4127288.cif |
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