Information card for entry 7124429

Structure parameters

• Formula: C5 H12 Bi2 I7 N
• Calculated formula: C5 H12 Bi2 I7 N
• Title of publication: Synthesis of a two-dimensional organic‒inorganic bismuth iodide metalate through in situ formation of iminium cations
• Authors of publication: Dehnhardt, Natalie; Luy, Jan-Niclas; Szabo, Marvin; Wende, Mirco; Tonner, Ralf; Heine, Johanna
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.4647 ± 0.0008 Å
• b: 7.5084 ± 0.0004 Å
• c: 20.9965 ± 0.0011 Å
• α: 90°
• β: 108.165 ± 0.002°
• γ: 90°
• Cell volume: 2166.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No