Information card for entry 7112104

Structure parameters

• Formula: C43 H52 Cl6 N4 Si2
• Calculated formula: C43 H52 Cl6 N4 Si2
• SMILES: Cl[Si]1(Cl)(Cl)[n]2ccccc2[C@H](N1c1c(cccc1C(C)C)C(C)C)[C@H]1N([Si](Cl)(Cl)(Cl)[n]2ccccc12)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1.Cl[Si]1(Cl)(Cl)[n]2ccccc2[C@@H](N1c1c(cccc1C(C)C)C(C)C)[C@@H]1N([Si](Cl)(Cl)(Cl)[n]2ccccc12)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1
• 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: 14.149 ± 0.002 Å
• b: 17.56 ± 0.002 Å
• c: 17.357 ± 0.003 Å
• α: 90°
• β: 94.21 ± 0.03°
• γ: 90°
• Cell volume: 4300.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No