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Information card for entry 4003478
Preview
| Coordinates | 4003478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 F56 Fe8 O32 |
|---|---|
| Calculated formula | C32 F56 Fe8 O32 |
| Title of publication | Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings |
| Authors of publication | Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 16.9559 ± 0.0016 Å |
| b | 28.654 ± 0.002 Å |
| c | 31.215 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15166 ± 2 Å3 |
| Cell temperature | 100 ± 0.11 K |
| Ambient diffraction temperature | 100 ± 0.11 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1869 |
| Residual factor for significantly intense reflections | 0.1669 |
| Weighted residual factors for significantly intense reflections | 0.4568 |
| Weighted residual factors for all reflections included in the refinement | 0.4732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248089 (current) | 2020-02-13 | cif/ Adding structures of 4003478 via cif-deposit CGI script. |
4003478.cif |
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Users of the data should acknowledge the original authors of the
structural data.