Information card for entry 7236993

Structure parameters

• Formula: C16 H24 Cl4 N2 O2 Zn
• Calculated formula: C16 H24 Cl4 N2 O2 Zn
• Title of publication: Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system
• Authors of publication: Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1057
• a: 10.607 ± 0.002 Å
• b: 7.3468 ± 0.0014 Å
• c: 13.38 ± 0.003 Å
• α: 90°
• β: 93.482 ± 0.002°
• γ: 90°
• Cell volume: 1040.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No