Information card for entry 7245381

Structure parameters

• Formula: C58 H108 Ge2 Si8
• Calculated formula: C58 H108 Ge2 Si8
• Title of publication: Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues
• Authors of publication: Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 18.2272 ± 0.001 Å
• b: 30.5096 ± 0.0016 Å
• c: 12.6275 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7022.2 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0483
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0041
• Diffraction radiation wavelength: 0.31979 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No