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Information card for entry 7236665
Preview
| Coordinates | 7236665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H23 N6 O16 Sc3 |
|---|---|
| Calculated formula | C36 H18 N6 O16 Sc3 |
| Title of publication | Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks |
| Authors of publication | Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1181 |
| a | 17.1503 ± 0.0011 Å |
| b | 17.1503 ± 0.0011 Å |
| c | 25.6245 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6527.2 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.1905 |
| Residual factor for significantly intense reflections | 0.1183 |
| Weighted residual factors for significantly intense reflections | 0.3236 |
| Weighted residual factors for all reflections included in the refinement | 0.3783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236399 (current) | 2019-11-24 | cif/ Adding structures of 7236665, 7236666, 7236667 via cif-deposit CGI script. |
7236665.cif |
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Users of the data should acknowledge the original authors of the
structural data.