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Information card for entry 4075825
Preview
| Coordinates | 4075825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H26 B8 Ru |
|---|---|
| Calculated formula | C13 H26 B8 Ru |
| SMILES | [Ru]12345678([c]9([c]6([c]7([c]8([c]59C)C)C)C)C)([CH]567[BH]891[CH]1%102[BH]2%113[BH]346[CH]46%11[BH]%10%112[BH]281[BH]179[BH]534[BH]6%1121) |
| 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 | 10.141 ± 0.004 Å |
| b | 14.429 ± 0.004 Å |
| c | 24.061 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3521 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1177 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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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