Information card for entry 7026729

Structure parameters

• Formula: C40 H38 Bi2 O12 S4
• Calculated formula: C40 H38 Bi2 O12 S4
• Title of publication: Structural and solution studies of phenylbismuth(III) sulfonate complexes and their activity against Helicobacter pylori.
• Authors of publication: Andrews, Philip C.; Busse, Madleen; Deacon, Glen B.; Ferrero, Richard L.; Junk, Peter C.; Huynh, Katie K.; Kumar, Ish; Maclellan, Jonathan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9633 - 9641
• a: 10.141 ± 0.002 Å
• b: 18.174 ± 0.004 Å
• c: 22.988 ± 0.005 Å
• α: 90°
• β: 97.34 ± 0.03°
• γ: 90°
• Cell volume: 4202 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No