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Information card for entry 7247456
Preview
| Coordinates | 7247456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10.5 H9 Mn0.5 N2 O3 |
|---|---|
| Calculated formula | C10.5 H9 Mn0.5 N2 O3 |
| Title of publication | Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers |
| Authors of publication | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 47 |
| Pages of publication | 6539 - 6548 |
| a | 20.3665 ± 0.001 Å |
| b | 4.5514 ± 0.0002 Å |
| c | 21.1136 ± 0.0009 Å |
| α | 90° |
| β | 101.761 ± 0.005° |
| γ | 90° |
| Cell volume | 1916.06 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0799 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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 |
|---|---|---|---|
| 288791 (current) | 2024-01-06 | cif/ Updating files of 7247455, 7247456, 7247457, 7247458, 7247459, 7247460, 7247461, 7247462 Original log message: Adding full bibliography for 7247455--7247462.cif. |
7247456.cif |
| 286596 | 2023-09-29 | cif/ Adding structures of 7247455, 7247456, 7247457, 7247458, 7247459, 7247460, 7247461, 7247462 via cif-deposit CGI script. |
7247456.cif |
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Users of the data should acknowledge the original authors of the
structural data.