Information card for entry 7031880

Structure parameters

• Formula: C36 H33 Bi Br2 O7
• Calculated formula: C36 H33 Bi Br2 O7
• SMILES: [Bi](OC(=O)c1cc(Br)ccc1O)(OC(=O)c1cc(Br)ccc1O)(c1ccccc1)(c1ccccc1)c1ccccc1.CCOCC
• 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: 8.786 ± 0.0018 Å
• b: 11.096 ± 0.002 Å
• c: 18.289 ± 0.004 Å
• α: 103.99 ± 0.03°
• β: 96.1 ± 0.03°
• γ: 98.63 ± 0.03°
• Cell volume: 1691.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7031631
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No