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Information card for entry 4116514
Preview
| Coordinates | 4116514.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H48 Si2 Zr |
|---|---|
| Calculated formula | C30 H48 Si2 Zr |
| Title of publication | Reactivity of Permethylzirconocene and Permethyltitanocene toward Disubstituted 1,3-Butadiynes: η4- vs η2-Complexation or C-C Coupling with the Permethyltitanocene |
| Authors of publication | Paul-Michael Pellny; Frank G. Kirchbauer; Vladimir V. Burlakov; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 8313 - 8323 |
| a | 10.595 ± 0.002 Å |
| b | 18.22 ± 0.004 Å |
| c | 15.891 ± 0.003 Å |
| α | 90° |
| β | 94.5 ± 0.03° |
| γ | 90° |
| Cell volume | 3058.2 ± 1.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections | 0.1348 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Goodness-of-fit parameter for all reflections | 1.057 |
| Goodness-of-fit parameter for significantly intense reflections | 1.128 |
| 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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Users of the data should acknowledge the original authors of the
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