Information card for entry 7108062

Structure parameters

• Formula: C224 H274 Bi38 O131 S24
• Calculated formula: C224 H274 Bi38 O131 S24
• Title of publication: Sulfonato-encapsulated bismuth(III) oxido-clusters from Bi2O3 in water under mild conditions
• Authors of publication: Philip C. Andrews; Madleen Busse; Peter C. Junk; Craig M. Forsyth; Roshani Peiris
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7583
• a: 22.515 ± 0.0012 Å
• b: 24.244 ± 0.0004 Å
• c: 31.4 ± 0.0006 Å
• α: 90°
• β: 91.452 ± 0.002°
• γ: 90°
• Cell volume: 17134.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No