Information card for entry 4128203

Structure parameters

• Formula: C60 H118 Ge2 O2 Si8
• Calculated formula: C60 H118 Ge2 O2 Si8
• SMILES: [Ge]1(C(=C([Ge]2(C(=C1CC)CC)OC(c1c2c(cc(c1)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CC)CC)(O)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.
• Authors of publication: Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2263 - 2267
• a: 12.7441 ± 0.0002 Å
• b: 15.5507 ± 0.0002 Å
• c: 20.9457 ± 0.0003 Å
• α: 69.667 ± 0.001°
• β: 75.386 ± 0.001°
• γ: 68.767 ± 0.001°
• Cell volume: 3589.95 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0634
• 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