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Information card for entry 7701068
Preview
| Coordinates | 7701068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 Cs Fe Li3 O12 |
|---|---|
| Calculated formula | C6 Cs Fe Li3 O12 |
| Title of publication | Perovzalates: a family of perovskite-related oxalates. |
| Authors of publication | Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 38 |
| Pages of publication | 14461 - 14466 |
| a | 11.6046 ± 0.0008 Å |
| b | 11.6046 ± 0.0008 Å |
| c | 15.1779 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1770.1 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7701068.cif |
| 224565 | 2019-11-08 | cif/ Updating files of 7701065, 7701066, 7701067, 7701068, 7701069, 7701070, 7701071, 7701072 Original log message: Adding full bibliography for 7701065--7701072.cif. |
7701068.cif |
| 218059 | 2019-09-07 | cif/ Adding structures of 7701065, 7701066, 7701067, 7701068, 7701069, 7701070, 7701071, 7701072 via cif-deposit CGI script. |
7701068.cif |
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Users of the data should acknowledge the original authors of the
structural data.