Information card for entry 7003556

Structure parameters

• Formula: C43 H54 Bi2 N4 O3
• Calculated formula: C43 H54 Bi2 N4 O3
• 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: 13.902 ± 0.002 Å
• b: 14.011 ± 0.002 Å
• c: 14.107 ± 0.004 Å
• α: 99.17 ± 0.01°
• β: 92.64 ± 0.02°
• γ: 109.55 ± 0.01°
• Cell volume: 2541.6 ± 0.9 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No