Information card for entry 4119727

Structure parameters

• Formula: C44 H102 Ge4 Si5
• Calculated formula: C44 H102 Ge4 Si5
• SMILES: C[Si](C(C)(C)C)(C(C)(C)C)[Ge]12[Ge]3([Ge]1([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)[Ge]23[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid
• Authors of publication: Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6770 - 6773
• a: 13.1613 ± 0.0005 Å
• b: 28.7663 ± 0.001 Å
• c: 15.4602 ± 0.0006 Å
• α: 90°
• β: 92.252 ± 0.001°
• γ: 90°
• Cell volume: 5848.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No