Information card for entry 4106543

Structure parameters

• Formula: C35 H42 Ge
• Calculated formula: C35 H42 Ge
• SMILES: [Ge](c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C=CC=C1
• Title of publication: C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions
• Authors of publication: Owen T. Summerscales; James C. Fettinger; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11960 - 11963
• a: 18.0854 ± 0.0015 Å
• b: 10.1004 ± 0.0008 Å
• c: 33.039 ± 0.003 Å
• α: 90°
• β: 92.544 ± 0.002°
• γ: 90°
• Cell volume: 6029.3 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No