Information card for entry 1560258

Structure parameters

• Common name: 2(C8 H20 N), Cl0.12 I3.88 Zn
• Formula: C16 H40 Cl0.12 I3.88 N2 Zn
• Calculated formula: C16 H40 Cl0.124 I3.876 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: 13.7327 ± 0.0008 Å
• b: 13.7327 ± 0.0008 Å
• c: 14.7484 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2781.4 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No