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Information card for entry 7241049
Preview
| Coordinates | 7241049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Mineral name | CAU-50 |
|---|---|
| Formula | C36 Fe3 O12 Sc2 |
| Calculated formula | C36 Fe3 O12 Sc2 |
| SMILES | [Sc+3].[Sc+3].[O-]C(=O)[c]1([cH]2[cH]3[cH]4[cH]51)[Fe]23451678[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)[O-].[O-]C(=O)[c]1([cH]2[cH]3[cH]4[cH]51)[Fe]23451678[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)[O-].[O-]C(=O)[c]1([cH]2[cH]3[cH]4[cH]51)[Fe]23451678[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)[O-] |
| Title of publication | Observation of Three Different Linker Conformers in a Scandium Ferrocenedicarboxylate Coordination Polymer |
| Authors of publication | Benecke, Jannick; Svensson Grape, Erik; Engesser, Tobias; Inge, Andrew Ken; Reinsch, Helge |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 17.4287 ± 0.00048 Å |
| b | 15.29046 ± 0.00051 Å |
| c | 13.21952 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3522.9 ± 0.2 Å3 |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255279 (current) | 2020-08-13 | cif/ Adding structures of 7241049 via cif-deposit CGI script. |
7241049.cif |
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Users of the data should acknowledge the original authors of the
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