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Information card for entry 4075823
Preview
| Coordinates | 4075823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H16 B8 Fe |
|---|---|
| Calculated formula | C8 H16 B8 Fe |
| SMILES | [Fe]123456([CH]789[CH]%10%111[CH]1%122[BH]2%13[BH]9%14[BH]9%15%13[BH]%13%122[BH]2%101[BH]17%11[BH]89%14[BH]%15%1321)[cH]1[cH]3[cH]6[cH]4[cH]51 |
| Title of publication | Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11 |
| Authors of publication | Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 18 |
| Pages of publication | 4387 |
| a | 6.4722 ± 0.0015 Å |
| b | 10.3 ± 0.002 Å |
| c | 17.749 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1183.2 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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