Information card for entry 4060114

Structure parameters

• Common name: compound5
• Formula: C45 H80 Ge Si6 Te
• Calculated formula: C45 H80 Ge Si6 Te
• 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: 13.8849 ± 0.0014 Å
• b: 18.3366 ± 0.0013 Å
• c: 20.7964 ± 0.0015 Å
• α: 90°
• β: 93.7513 ± 0.001°
• γ: 90°
• Cell volume: 5283.5 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No