Information card for entry 4128200

Structure parameters

• Formula: C76 H118 Ge2 Si8
• Calculated formula: C76 H118 Ge2 Si8
• SMILES: C1(=C(c2ccccc2)[Ge]2([Ge]1(c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C(=C2c1ccccc1)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
• 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: 24.367 ± 0.0006 Å
• b: 11.3524 ± 0.0003 Å
• c: 29.8468 ± 0.0008 Å
• α: 90°
• β: 111.303 ± 0.0011°
• γ: 90°
• Cell volume: 7692.2 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No