Information card for entry 4127794

Structure parameters

• Formula: C60 H69 Ge2 P
• Calculated formula: C60 H69 Ge2 P
• SMILES: [Ge]1=[Ge](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)c1c(cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)c1c(cc(C(C)C)cc1C(C)C)C(C)C.c1ccccc1
• Title of publication: Phosphine-Stabilized Digermavinylidene.
• Authors of publication: Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 8
• Pages of publication: 3424 - 3429
• a: 9.5389 ± 0.0002 Å
• b: 16.2601 ± 0.0004 Å
• c: 16.9069 ± 0.0004 Å
• α: 83.432 ± 0.001°
• β: 81.179 ± 0.001°
• γ: 88.272 ± 0.001°
• Cell volume: 2574.08 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No