Information card for entry 4107155

Structure parameters

• Formula: C72 H74 Ge2 N2 Si2
• Calculated formula: C72 H74 Ge2 N2 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: 28.596 ± 0.0008 Å
• b: 9.7591 ± 0.0002 Å
• c: 24.3038 ± 0.0006 Å
• α: 90°
• β: 118.219 ± 0.004°
• γ: 90°
• Cell volume: 5976.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No