Information card for entry 4060112

Structure parameters

• Common name: benzothiagermete
• Formula: C45 H80 Ge S Si6
• Calculated formula: C45 H80 Ge S Si6
• Title of publication: Reactions of a Germacyclopropabenzene with Elemental Chalcogens: Syntheses and Structures of a Series of Stable 2H-Benzo[c][1,2]chalcogenagermetes
• Authors of publication: Sasamori, Takahiro; Sasaki, Takayo; Takeda, Nobuhiro; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 612 - 618
• a: 10.125 ± 0.003 Å
• b: 11.941 ± 0.003 Å
• c: 22.971 ± 0.007 Å
• α: 76.768 ± 0.011°
• β: 83.65 ± 0.012°
• γ: 72.101 ± 0.009°
• Cell volume: 2570.3 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No