Information card for entry 4087065

Structure parameters

• Formula: C25 H32 Cl N3 O0.5 Sn
• Calculated formula: C25 H28 Cl N3 O0.5 Sn
• SMILES: [Sn]1(Cl)N(CCN2C=1N(CC2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1
• Title of publication: Synthesis and Reactivity of Intramolecularly NHC-Stabilized Germylenes and Stannylenes
• Authors of publication: Paul, Daniel; Heins, Frederik; Krupski, Sergei; Hepp, Alexander; Daniliuc, Constantin G.; Klahr, Kevin; Neugebauer, Johannes; Glorius, Frank; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 8.274 ± 0.0004 Å
• b: 12.232 ± 0.0006 Å
• c: 49.393 ± 0.002 Å
• α: 90°
• β: 94.804 ± 0.001°
• γ: 90°
• Cell volume: 4981.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No