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Information card for entry 2205071
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| Coordinates | 2205071.cif |
|---|---|
| Structure factors | 2205071.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methylchlorosila[1]ferrocenophane |
|---|---|
| Formula | C11 H11 Cl Fe Si |
| Calculated formula | C11 H11 Cl Fe Si |
| SMILES | [Fe]23456789%10[c]1([cH]2[cH]3[cH]4[cH]51)[Si](Cl)([c]16[cH]7[cH]8[cH]9[cH]%101)C |
| Title of publication | Methylchlorosila[1]ferrocenophane |
| Authors of publication | Chan, Wing Yan; Lough, Alan J.; Manners, Ian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | m375 - m376 |
| a | 13.4146 ± 0.0009 Å |
| b | 10.2135 ± 0.0008 Å |
| c | 7.8627 ± 0.0006 Å |
| α | 90° |
| β | 95.295 ± 0.005° |
| γ | 90° |
| Cell volume | 1072.67 ± 0.14 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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