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Information card for entry 1545594
Preview
| Coordinates | 1545594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 In N2 O7 |
|---|---|
| Calculated formula | C12 H11 In N2 O7 |
| Title of publication | In-MOFs based on amide functionalised flexible linkers |
| Authors of publication | Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J. |
| Journal of publication | Faraday Discuss. |
| Year of publication | 2017 |
| a | 7.2372 ± 0.0004 Å |
| b | 10.1596 ± 0.0008 Å |
| c | 11.8645 ± 0.0008 Å |
| α | 77.815 ± 0.007° |
| β | 78.748 ± 0.005° |
| γ | 85.773 ± 0.005° |
| Cell volume | 835.84 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1162 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1567 |
| Weighted residual factors for all reflections included in the refinement | 0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194345 (current) | 2017-03-18 | cif/ Adding structures of 1545593, 1545594 via cif-deposit CGI script. |
1545594.cif |
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Users of the data should acknowledge the original authors of the
structural data.