Information card for entry 4111894

Structure parameters

• Common name: digermene
• Formula: C60 H76 Ge2
• Calculated formula: C60 H76 Ge2
• SMILES: c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[GeH][GeH]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound
• Authors of publication: Geoffrey H. Spikes; James C. Fettinger; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12232 - 12233
• a: 11.9597 ± 0.0011 Å
• b: 17.5129 ± 0.0015 Å
• c: 12.4578 ± 0.0011 Å
• α: 90°
• β: 99.797 ± 0.002°
• γ: 90°
• Cell volume: 2571.2 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No