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Information card for entry 1558501
Preview
| Coordinates | 1558501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H13.5 B Cu F4 N6 O0.75 |
|---|---|
| Calculated formula | C18 H13.5 B Cu F3.999 N6 O0.75 |
| Title of publication | Unexpected Selective Gas Adsorption on a ‘Non-Porous’ Metal Organic Framework |
| Authors of publication | Beveridge, Stuart; McAnally, Craig A.; Nichol, Gary S.; Kennedy, Alan R.; Cussen, Edmund J.; Fletcher, Ashleigh J. |
| Journal of publication | Crystals |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 548 |
| a | 19.6546 ± 0.0008 Å |
| b | 17.9133 ± 0.0006 Å |
| c | 24.0581 ± 0.0011 Å |
| α | 90° |
| β | 112.816 ± 0.005° |
| γ | 90° |
| Cell volume | 7807.6 ± 0.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254016 (current) | 2020-07-06 | cif/ Adding structures of 1558501 via cif-deposit CGI script. |
1558501.cif |
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