Information card for entry 4107157

Structure parameters

• Formula: C76 H86 Ge2 N2 O2 Si2
• Calculated formula: C76 H86 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: 10.826 ± 0.0004 Å
• b: 13.3018 ± 0.0005 Å
• c: 13.9126 ± 0.0005 Å
• α: 117.252 ± 0.004°
• β: 99.217 ± 0.003°
• γ: 99.726 ± 0.003°
• Cell volume: 1689.77 ± 0.14 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: 0.1041
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No