Information card for entry 4313317

Structure parameters

• Formula: C5 H16 I4 N2 Sn
• Calculated formula: C5 I4 N2 Sn
• Title of publication: [(CH3)3NCH2CH2NH3]SnI4: A Layered Perovskite with Quaternary/Primary Ammonium Dications and Short Interlayer Iodine-Iodine Contacts
• Authors of publication: Zhengtao Xu; David B. Mitzi; David R. Medeiros
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1400 - 1402
• a: 12.6017 ± 0.001 Å
• b: 20.2573 ± 0.0016 Å
• c: 12.5048 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3192.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No