Information card for entry 4135018

Structure parameters

• Formula: C32 H80 I2 Si12
• Calculated formula: C32 H80 I2 Si12
• SMILES: [Si]12([Si]([Si]31C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)C)([Si]12C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C)I)I
• 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: 11.6852 ± 0.0003 Å
• b: 14.2348 ± 0.0004 Å
• c: 17.0541 ± 0.0005 Å
• α: 68.082 ± 0.001°
• β: 78.177 ± 0.001°
• γ: 76.52 ± 0.001°
• Cell volume: 2537.24 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No