Information card for entry 7108061

Structure parameters

• Formula: Bi6 H18 N6 O27 S6
• Calculated formula: Bi6 H16 N6 O27 S6
• 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: 14.7996 ± 0.0002 Å
• b: 14.7996 ± 0.0002 Å
• c: 11.1737 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2119.47 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No