Information card for entry 7031882

Structure parameters

• Formula: C48 H41 Bi Cl2 N2 O5 S
• Calculated formula: C48 H41 Bi Cl2 N2 O5 S
• SMILES: [Bi]12([O]=C(O1)c1ccccc1Nc1cccc(Cl)c1C)([O]=C(O2)c1ccccc1Nc1cccc(Cl)c1C)(c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(C)C
• Title of publication: Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.
• Authors of publication: Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12904
• a: 11.18 ± 0.002 Å
• b: 12.75 ± 0.003 Å
• c: 16.19 ± 0.003 Å
• α: 79.78 ± 0.03°
• β: 71.76 ± 0.03°
• γ: 84.42 ± 0.03°
• Cell volume: 2154.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7031633
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No