Information card for entry 4108117

Structure parameters

• Formula: C25 H44 Ge K N O2
• Calculated formula: C25 H44 Ge K N O2
• SMILES: CC1=[Ge]N(C(=C1)C)c1c(C(C)C)cccc1C(C)C.[K]([O](CC)CC)[O](CC)CC
• Title of publication: A Cyclopentadienide Analogue Containing Divalent Germanium and a Heavy Cyclobutadiene-like Dianion with an Unusual Ge4 Core
• Authors of publication: Wenyuan Wang; Shenglai Yao; Christoph van Wüllen; Matthias Driess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9640 - 9641
• a: 10.6989 ± 0.0007 Å
• b: 11.4137 ± 0.0007 Å
• c: 12.2625 ± 0.0008 Å
• α: 74.158 ± 0.006°
• β: 76.395 ± 0.006°
• γ: 83.4 ± 0.005°
• Cell volume: 1398.07 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No