Information card for entry 7036744

Structure parameters

• Formula: C39 H39 Bi O6
• Calculated formula: C39 H39 Bi O6
• SMILES: [Bi]12([O]=C(O1)c1ccccc1OCC)([O]=C(O2)c1ccccc1OCC)(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
• 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: 10.949 ± 0.002 Å
• b: 15.98 ± 0.003 Å
• c: 18.978 ± 0.004 Å
• α: 90°
• β: 93.65 ± 0.03°
• γ: 90°
• Cell volume: 3313.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No