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Information card for entry 4085351
Preview
| Coordinates | 4085351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H38 Si4 |
|---|---|
| Calculated formula | C20 H38 Si4 |
| SMILES | C(#C/C=C(/C(=C/C#C[Si](C)(C)C)/[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes |
| Authors of publication | Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2471 |
| a | 6.5912 ± 0.0002 Å |
| b | 13.0722 ± 0.0004 Å |
| c | 15.5139 ± 0.0004 Å |
| α | 90.062 ± 0.002° |
| β | 94.187 ± 0.002° |
| γ | 96.88 ± 0.002° |
| Cell volume | 1323.47 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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The link is: https://www.crystallography.net/4085351.html
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Users of the data should acknowledge the original authors of the
structural data.