Information card for entry 4122104

Structure parameters

• Common name: Tetrachlorodisilene stabilized by cAAC
• Formula: C46 H70 Cl4 N2 Si2
• Calculated formula: C46 H70 Cl4 N2 Si2
• SMILES: C1(C2(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)CCCCC2)=[Si](Cl)(Cl)[Si](=C1C2(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)CCCCC2)(Cl)Cl
• Title of publication: Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride.
• Authors of publication: Mondal, Kartik Chandra; Dittrich, Birger; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 27
• Pages of publication: 9568 - 9571
• a: 9.25 ± 0.003 Å
• b: 10.658 ± 0.01 Å
• c: 12.088 ± 0.009 Å
• α: 100.23 ± 0.05°
• β: 99.97 ± 0.03°
• γ: 91.24 ± 0.04°
• Cell volume: 1153.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.7293 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No