Information card for entry 4332091

Structure parameters

• Formula: C55 H84 Bi2 N8
• Calculated formula: C55 H84 Bi2 N8
• SMILES: [Bi]([Bi](c1c(cccc1CN(C)C)CN(C)C)c1c(cccc1CN(C)C)CN(C)C)(c1c(cccc1CN(C)C)CN(C)C)c1c(cccc1CN(C)C)CN(C)C.c1(ccccc1)C
• Title of publication: Isomers of a Dibismuthane, R2Bi−BiR2[R = 2,6-(Me2NCH2)2C6H3], and Unusual Reactions with Oxygen: Formation of [R2Bi]2(O2) and R‘R‘ ‘Bi [R‘ = 2-(Me2NCH2)-6-{Me2N(O)CH2}C6H3; R‘ ‘ = 2-(Me2NCH2)-6-{O(O)C}C6H3]
• Authors of publication: Balazs, Lucia; Breunig, Hans J.; Lork, Enno; Soran, Albert; Silvestru, Cristian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2341 - 2346
• a: 12.276 ± 0.002 Å
• b: 21.942 ± 0.004 Å
• c: 21.119 ± 0.004 Å
• α: 90°
• β: 103.55 ± 0.03°
• γ: 90°
• Cell volume: 5530.3 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No