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Information card for entry 4087582
Preview
| Coordinates | 4087582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H23 Fe N Si2 |
|---|---|
| Calculated formula | C15 H23 Fe N Si2 |
| SMILES | [Fe]123456789[c]%10(N([Si]([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 | 6.514 ± 0.0005 Å |
| b | 10.7849 ± 0.0008 Å |
| c | 11.7791 ± 0.0009 Å |
| α | 96.347 ± 0.002° |
| β | 90.913 ± 0.002° |
| γ | 98.624 ± 0.002° |
| Cell volume | 812.7 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4087582.cif |
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Users of the data should acknowledge the original authors of the
structural data.