Information card for entry 2016928

Structure parameters

• Chemical name: bis[μ~3~-1,3,5-triamino-trideoxy-<i>cis</i>-inositolato(3-)]-tri-bismuth(III) trichloride hexahydrate
• Formula: C12 H36 Bi3 Cl3 N6 O12
• Calculated formula: C12 H34.02 Bi3 Cl3 N6 O12
• Title of publication: Redetermination of bis[μ~3~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositolato(3‒)]tribismuth(III) trichloride hexahydrate
• Authors of publication: Hegetschweiler, Kaspar; Stucky, Stefan; Morgenstern, Bernd; Neis, Christian; Weyhermüller, Thomas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m1 - m3
• a: 8.0903 ± 0.0011 Å
• b: 8.0903 ± 0.0011 Å
• c: 35.612 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2018.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0487
• 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: Yes