Information card for entry 7036737

Structure parameters

• Formula: C51 H45 Bi F4 O7
• Calculated formula: C51 H45 Bi F4 O7
• SMILES: [Bi]12([O]=C(O1)c1c(O)ccc(c1)c1c(F)cc(F)cc1)(c1c(cccc1)C)(OC(=[O]2)c1c(O)ccc(c1)c1ccc(F)cc1F)(c1ccccc1C)c1c(cccc1)C.O(CC)CC
• 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: 12.2901 ± 0.0003 Å
• b: 12.4486 ± 0.0003 Å
• c: 15.1716 ± 0.0004 Å
• α: 76.296 ± 0.002°
• β: 76.185 ± 0.002°
• γ: 84.494 ± 0.002°
• Cell volume: 2187.95 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No