Information card for entry 7003550

Structure parameters

• Formula: C24 H38 Bi2 N4 S2
• Calculated formula: C24 H38 Bi2 N4 S2
• SMILES: c1(c(cccc1C[N]1(C)C)C[N]2(C)C)[Bi]123S[Bi]12(c4c(cccc4C[N]1(C)C)C[N]2(C)C)S3
• Title of publication: Hypervalent organobismuth(iii) carbonate, chalcogenides and halides with the pendant arm ligands 2-(Me2NCH2)C6H4 and 2,6-(Me2NCH2)2C6H3
• Authors of publication: Breunig, Hans J.; Königsmann, Lucia; Lork, Enno; Nema, Mihai; Philipp, Nicky; Silvestru, Cristian; Soran, Albert; Varga, Richard A.; Wagner, Roxana
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1831 - 1842
• a: 6.435 ± 0.002 Å
• b: 11.581 ± 0.004 Å
• c: 19 ± 0.006 Å
• α: 90°
• β: 99.094 ± 0.005°
• γ: 90°
• Cell volume: 1398.2 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No