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Information card for entry 7125569
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| Coordinates | 7125569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MIL-62 |
|---|---|
| Formula | C2.5 H0.5 Fe0.5 O2 |
| Calculated formula | C2.5 H0.5 Fe0.5 O2 |
| Title of publication | [Fe2(C10O8H2)]: an antiferromagnetic 3D iron(II) carboxylate built from ferromagnetic edge-sharing octahedral chains (MIL-62). |
| Authors of publication | Sanselme, M.; Grenèche, J M; Riou-Cavellec, M; Férey, G |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2002 |
| Journal issue | 18 |
| Pages of publication | 2172 - 2173 |
| a | 6.2378 ± 0.0007 Å |
| b | 17.589 ± 0.002 Å |
| c | 4.6039 ± 0.0005 Å |
| α | 90° |
| β | 115.863 ± 0.002° |
| γ | 90° |
| Cell volume | 454.53 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for all reflections | 0.0804 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Goodness-of-fit parameter for all reflections | 1.037 |
| Goodness-of-fit parameter for significantly intense reflections | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244047 (current) | 2019-11-28 | cif/ Adding structures of 7125569 via cif-deposit CGI script. |
7125569.cif |
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Users of the data should acknowledge the original authors of the
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