Information card for entry 4107156

Structure parameters

• Formula: C80 H96 Ge2 N2 O2 Si2
• Calculated formula: C80 H96 Ge2 N2 O2 Si2
• Title of publication: A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State
• Authors of publication: Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18622 - 18625
• a: 11.1415 ± 0.0005 Å
• b: 13.5993 ± 0.0006 Å
• c: 14.7247 ± 0.0005 Å
• α: 113.957 ± 0.004°
• β: 112.224 ± 0.004°
• γ: 92.658 ± 0.004°
• Cell volume: 1833.89 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No