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Information card for entry 7125569
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Coordinates | 7125569.cif |
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Original paper (by DOI) | HTML |
Common name | MIL-62 |
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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 |
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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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