Information card for entry 7036739

Structure parameters

• Formula: C39 H39 Bi O6
• Calculated formula: C39 H39 Bi O6
• SMILES: [Bi]12(c3cc(ccc3)C)([O]=C(O1)c1c(cccc1)OCC)(c1cccc(c1)C)([O]=C(O2)c1c(cccc1)OCC)c1cccc(c1)C
• Title of publication: Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.
• Authors of publication: Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18215 - 18226
• a: 9.1878 ± 0.0004 Å
• b: 18.715 ± 0.001 Å
• c: 19.9856 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3436.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No