Information card for entry 4135017

Structure parameters

• Formula: C32 H80 I2 Si12
• Calculated formula: C32 H80 I2 Si12
• Title of publication: An Isolable Tetrasilicon Analogue of a Planar Bicyclo[1.1.0]butane with π-Type Single-Bonding Character.
• Authors of publication: Nukazawa, Takumi; Iwamoto, Takeaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 22
• Pages of publication: 9920 - 9924
• a: 11.0227 ± 0.0003 Å
• b: 18.3233 ± 0.0005 Å
• c: 12.8616 ± 0.0003 Å
• α: 90°
• β: 107.871 ± 0.001°
• γ: 90°
• Cell volume: 2472.35 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No