Information card for entry 7108060

Structure parameters

• Formula: C180 H340 Bi18 O125 S18
• Calculated formula: C180 H282 Bi18 O125 S18
• 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: 30.797 ± 0.006 Å
• b: 19.123 ± 0.004 Å
• c: 22.706 ± 0.005 Å
• α: 90°
• β: 102 ± 0.03°
• γ: 90°
• Cell volume: 13080 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No