Information card for entry 1560257

Structure parameters

• Common name: 2(C8 H20 N), Cl0.15 I3.85 Zn
• Formula: C16 H40 Cl0.15 I3.85 N2 Zn
• Calculated formula: C16 H40 Cl0.152 I3.848 N2 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: 13.6341 ± 0.001 Å
• b: 13.6341 ± 0.001 Å
• c: 14.6643 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2725.9 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No