Information card for entry 2229199

Structure parameters

• Chemical name: μ-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III))
• Formula: C45 H64 Bi2 N4 O3
• Calculated formula: C45 H64 Bi2 N4 O3
• SMILES: c1(c(cccc1)CN(CC)CC)[Bi](OC(=O)O[Bi](c1c(cccc1)CN(CC)CC)c1c(cccc1)CN(CC)CC)c1ccccc1CN(CC)CC
• Title of publication: μ-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III))
• Authors of publication: Soran, Albert P.; Nema, Mihai G.; Breunig, Hans J.; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m153 - m154
• a: 12.263 ± 0.003 Å
• b: 12.785 ± 0.002 Å
• c: 15.286 ± 0.002 Å
• α: 90°
• β: 105.94 ± 0.01°
• γ: 90°
• Cell volume: 2304.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes