Information card for entry 4104414

Structure parameters

• Formula: C63 H70 Ge O2
• Calculated formula: C63 H70 Ge O2
• SMILES: [Ge](OC1(C(C)C)C(=O)c2c(cccc2c2c1cccc2C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C
• Title of publication: Room-Temperature Reaction of Carbon Monoxide with a Stable Diarylgermylene
• Authors of publication: Xinping Wang; Zhongliang Zhu; Yang Peng; Hao Lei; James C. Fettinger; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6912 - 6913
• a: 12.9806 ± 0.0011 Å
• b: 13.0795 ± 0.0012 Å
• c: 17.3387 ± 0.0015 Å
• α: 95.315 ± 0.001°
• β: 109.101 ± 0.001°
• γ: 111.843 ± 0.001°
• Cell volume: 2503.7 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No