Information card for entry 7112105

Structure parameters

• Formula: C18 H23 Cl3 N2 Si
• Calculated formula: C18 H23 Cl3 N2 Si
• SMILES: Cl[Si]1(Cl)(Cl)[n]2ccccc2CN1c1c(cccc1C(C)C)C(C)C
• Title of publication: Unusual formation of a N-heterocyclic germylene via homolytic cleavage of a C-C bond
• Authors of publication: Yan Li; Kartik Chandra Mondal; Peter Stollberg; Hongping Zhu; Herbert W. Roesky; Regine Herbst-Irmer; Dietmar Stalke; Heike Fliegl
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3356
• a: 9.984 ± 0.002 Å
• b: 13.987 ± 0.002 Å
• c: 14.11 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1970.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No