Information card for entry 4119554

Structure parameters

• Formula: C33 H43 Cl2 Ge N5
• Calculated formula: C33 H43 Cl2 Ge N5
• SMILES: [Ge]1(Cl)=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)CN2C=CN(c3c(cccc3C(C)C)C(C)C)C=12.[Cl-].N#CC
• Title of publication: A Cyclic Germadicarbene ("Germylone") from Germyliumylidene
• Authors of publication: Yun Xiong; Shenglai Yao; Gengwen Tan; Shigeyoshi Inoue; Matthias Driess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 5004 - 5007
• a: 13.1242 ± 0.0004 Å
• b: 15.462 ± 0.0004 Å
• c: 17.2687 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3504.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No