Information card for entry 4085309

Structure parameters

• Formula: C58 H108 Ge2 Si8
• Calculated formula: C58 H108 Ge2 Si8
• SMILES: C1=[Ge](c2c(cc(cc2C([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Ge](=CC=C1)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: Synthesis and Characterization of a 1,2-Digermabenzene
• Authors of publication: Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Guo, Jing-Dong; Nagase, Shigeru; Streubel, Rainer; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2106
• a: 18.2435 ± 0.0003 Å
• b: 30.6273 ± 0.0004 Å
• c: 12.6638 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7075.89 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No