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Information card for entry 2108902
Preview
| Coordinates | 2108902.cif |
|---|---|
| Structure factors | 2108902.hkl |
| Original paper (by DOI) | HTML |
| Formula | C4 H8 Na O12 Rh |
|---|---|
| Calculated formula | C4 H8 Na O12 Rh |
| SMILES | [Rh]12([OH2])([OH2])(OC(=O)C(=O)O1)OC(=[O]1)C(O2)=[O][Na]12([OH2])([OH2])[O]=C(O1)C(=[O]2)O[Rh]21([OH2])([OH2])OC(=[O]1)C(O2)=[O][Na]1([OH2])[OH2] |
| Title of publication | Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid |
| Authors of publication | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 1048 - 1054 |
| a | 5.2554 ± 0.0002 Å |
| b | 6.4584 ± 0.0002 Å |
| c | 8.2102 ± 0.0002 Å |
| α | 97.796 ± 0.001° |
| β | 92.099 ± 0.001° |
| γ | 112.113 ± 0.001° |
| Cell volume | 254.612 ± 0.014 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0157 |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for significantly intense reflections | 0.0416 |
| Weighted residual factors for all reflections included in the refinement | 0.042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271664 (current) | 2022-01-01 | cif/ hkl/ Adding structures of 2108900, 2108901, 2108902, 2108903 via cif-deposit CGI script. |
2108902.cif 2108902.hkl |
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Users of the data should acknowledge the original authors of the
structural data.