Information card for entry 7104945

Structure parameters

• Formula: C56 H70 Bi2 N2
• Calculated formula: C56 H70 Bi2 N2
• SMILES: C1N(C(C)(C)CC(C)(C)C)Cc2ccccc2[Bi](c2ccccc12)[Bi]1c2ccccc2CN(Cc2ccccc12)C(C)(C)CC(C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: A unique Bi-Bi bond forming reaction using organobismuth oxides and phosphorus compounds bearing a P(=O)H group.
• Authors of publication: Shimada, Shigeru; Maruyama, Junpei; Choe, Yoong-Kee; Yamashita, Takashi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 6168 - 6170
• a: 12.5428 ± 0.0005 Å
• b: 15.0866 ± 0.0006 Å
• c: 12.983 ± 0.0005 Å
• α: 90°
• β: 92.749 ± 0.001°
• γ: 90°
• Cell volume: 2453.92 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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 significantly intense reflections: 0.0184
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No