Information card for entry 1560261

Structure parameters

• Common name: 2(C8 H20 N), Cl0.14 I3.86 Zn
• Formula: C16 H40 Cl0.14 I3.86 N2 Zn
• Calculated formula: Cl0.14 I3.86 Re2 Zn
• Title of publication: Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system
• Authors of publication: Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 256
• Pages of publication: 60 - 66
• a: 15.718 ± 0.002 Å
• b: 17.893 ± 0.003 Å
• c: 10.5835 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2976.5 ± 0.8 ų
• Cell temperature: 453 ± 1 K
• Ambient diffraction temperature: 453 ± 1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1845
• Residual factor for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections: 0.1569
• Weighted residual factors for significantly intense reflections: 0.1381
• Goodness-of-fit parameter for all reflections: 0.15
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No