Information card for entry 7202622

Structure parameters

• Formula: C8 H29 Bi I9 N4 O0.5 S4
• Calculated formula: C8 H28 Bi I9 N4 O0.5 S4
• Title of publication: Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations
• Authors of publication: Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 298
• a: 23.45 ± 0.005 Å
• b: 12.724 ± 0.003 Å
• c: 12.401 ± 0.003 Å
• α: 90°
• β: 108.45 ± 0.03°
• γ: 90°
• Cell volume: 3510 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No