Information card for entry 4128197

Structure parameters

• Formula: C76 H118 Ge2 Si8
• Calculated formula: C76 H118 Ge2 Si8
• SMILES: c1(c(c(cc(c1)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Ge]1=C(C(=[Ge](C(=C1c1ccccc1)c1ccccc1)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1)c1ccccc1)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: 11.4109 ± 0.0009 Å
• b: 11.6276 ± 0.001 Å
• c: 16.4067 ± 0.0013 Å
• α: 95.899 ± 0.004°
• β: 105.824 ± 0.004°
• γ: 106.2 ± 0.003°
• Cell volume: 1973.2 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No