Information card for entry 4131023

Structure parameters

• Formula: C23 H46 Bi Cl Si2
• Calculated formula: C23 H46 Bi Cl Si2
• SMILES: C(C)(C)[Si](C(C)C)(C1=CCC=C([Bi]1Cl)[Si](C(C)C)(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: 12.556 ± 0.007 Å
• b: 26.674 ± 0.015 Å
• c: 8.038 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2692 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No