Information card for entry 4085351

Structure parameters

• 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 ų
• 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