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Information card for entry 4087581
Preview
| Coordinates | 4087581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H23 Fe N Si Sn |
|---|---|
| Calculated formula | C15 H23 Fe N Si Sn |
| SMILES | [Fe]123456789C%10(N([Sn]([c]%115[cH]6[cH]7[cH]8[cH]9%11)(C)C)[Si](C)(C)C)[CH]1=[CH]2[CH]3=[CH]4%10 |
| Title of publication | [2]Ferrocenophanes with Nitrogen in Bridging Positions |
| Authors of publication | Dey, Subhayan; Quail, J. Wilson; Müller, Jens |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 3039 |
| a | 10.9962 ± 0.0003 Å |
| b | 12.7443 ± 0.0004 Å |
| c | 13.2851 ± 0.0003 Å |
| α | 80.389 ± 0.001° |
| β | 80.271 ± 0.001° |
| γ | 68.568 ± 0.001° |
| Cell volume | 1696.83 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.0569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236861 (current) | 2019-11-24 | cif/ Adding structures of 4087581, 4087582, 4087583 via cif-deposit CGI script. |
4087581.cif |
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Users of the data should acknowledge the original authors of the
structural data.