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Information card for entry 4030340
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| Coordinates | 4030340.cif |
|---|
| Formula | C4 H6 N2 O7 Re2 |
|---|---|
| Calculated formula | C4 N2 O7 Re2 |
| SMILES | [N](#CC)[Re](O[Re](=O)(=O)=O)([N]#CC)(=O)(=O)=O |
| Title of publication | Synthesis and crystal structure of Re2O7.2CH3CN |
| Authors of publication | Roesky, H. W.; Hesse, D.; Noltemeyer, M. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1991 |
| Journal volume | 28 |
| Pages of publication | 809 - 814 |
| a | 5.419 ± 0.001 Å |
| b | 11.729 ± 0.004 Å |
| c | 8.373 ± 0.002 Å |
| α | 90° |
| β | 94.5 ± 0.02° |
| γ | 90° |
| Cell volume | 530.5 ± 0.2 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178482 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03. |
4030340.cif |
| 128787 | 2014-12-16 | cif/ Adding structures of 4030340 via cif-deposit CGI script. |
4030340.cif |
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Users of the data should acknowledge the original authors of the
structural data.