Information card for entry 7040975

Structure parameters

• Chemical name: 1-Methyl-1,4-Dipiperazinium iodobismuthate trihydrate
• Formula: C5 H20 Bi2 I8 N2 O3
• Calculated formula: C2.5 H3 Bi I4 N O1.5
• Title of publication: Synthesis and structure of pseudo-three dimensional hybrid iodobismuthate semiconductors.
• Authors of publication: Dennington, Adam J.; Weller, Mark T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17974 - 17979
• a: 7.5434 ± 0.0002 Å
• b: 13.0515 ± 0.0005 Å
• c: 13.6716 ± 0.0005 Å
• α: 90°
• β: 96.347 ± 0.003°
• γ: 90°
• Cell volume: 1337.76 ± 0.08 ų
• Cell temperature: 149.95 ± 0.1 K
• Ambient diffraction temperature: 149.95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No