Information card for entry 1542933

Structure parameters

• Chemical name: Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]
• Formula: C39 H72 Bi2 I9 N9
• Calculated formula: C39 H72 Bi2 I9 N9
• Title of publication: Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]
• Authors of publication: Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160427
• a: 14.1643 ± 0.0007 Å
• b: 16.7047 ± 0.0008 Å
• c: 24.9505 ± 0.0012 Å
• α: 90°
• β: 91.601 ± 0.002°
• γ: 90°
• Cell volume: 5901.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes