Information card for entry 4131024

Structure parameters

• Formula: C29 H51 Bi O4 Si2
• Calculated formula: C29 H51 Bi O4 Si2
• SMILES: [Bi]12C(=CC(C=C1[Si](C(C)C)(C(C)C)C(C)C)C(=C2C(=O)OC)C(=O)OC)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.
• Authors of publication: Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 12787 - 12790
• a: 8.0332 ± 0.0012 Å
• b: 16.222 ± 0.002 Å
• c: 25.418 ± 0.004 Å
• α: 90°
• β: 95.791 ± 0.002°
• γ: 90°
• Cell volume: 3295.4 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No