Information card for entry 7036747

Structure parameters

• Formula: C49 H43 Bi Cl2 N2 O4
• Calculated formula: C49 H43 Bi Cl2 N2 O4
• SMILES: [Bi]12([O]=C(O1)c1ccccc1Nc1cccc(Cl)c1C)([O]=C(O2)c1ccccc1Nc1cccc(Cl)c1C)(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: 20.797 ± 0.004 Å
• b: 15.314 ± 0.003 Å
• c: 26.182 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8339 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No