Information card for entry 1560259

Structure parameters

• Common name: 2(C8 H20 N), Cl0.18 I3.82 Zn
• Formula: C16 H40 Cl0.18 I3.82 N2 Zn
• Calculated formula: C16 H41 Cl0.18 I3.82 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: 13.7471 ± 0.0009 Å
• b: 13.7471 ± 0.0009 Å
• c: 14.7993 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2796.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No