Information card for entry 7003554

Structure parameters

• Formula: C18 H29 Bi N2 O3
• Calculated formula: C18 H29 Bi N2 O3
• SMILES: [Bi]1(O)(c2c(cccc2)C[N]1(C)C)c1c(cccc1)CN(C)C.O.O
• 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: 9.149 ± 0.002 Å
• b: 26.827 ± 0.005 Å
• c: 8.393 ± 0.002 Å
• α: 90°
• β: 108.61 ± 0.01°
• γ: 90°
• Cell volume: 1952.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No