Information card for entry 4134836

Structure parameters

• Common name: Octanediammonium Tin iodide
• Formula: C8 H22 I6 N2 Sn2
• Calculated formula: C8 H22 I6 N2 Sn2
• Title of publication: Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency.
• Authors of publication: Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Guo, Peijun; Sidhik, Siraj; Kepenekian, Mikaël; Even, Jacky; Mohite, Aditya D.; Schaller, Richard D.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.721 ± 0.0003 Å
• b: 20.3857 ± 0.0006 Å
• c: 8.8553 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2476.9 ± 0.2 ų
• Cell temperature: 440 K
• Ambient diffraction temperature: 440 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for significantly intense reflections: 3.22
• Goodness-of-fit parameter for all reflections included in the refinement: 2.82
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No