Information card for entry 4107158

Structure parameters

• Formula: C80 H95 Ge2 K N2 O2 Si2
• Calculated formula: C80 H95 Ge2 K N2 O2 Si2
• SMILES: [GeH2]([GeH]N([Si](C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)N([Si](C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.[K]([O](CC)CC)[O](CC)CC
• 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: 12.375 ± 0.003 Å
• b: 21.468 ± 0.004 Å
• c: 14.592 ± 0.003 Å
• α: 90°
• β: 107.58 ± 0.03°
• γ: 90°
• Cell volume: 3695.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No