Information card for entry 7236994

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: 10.651 ± 0.007 Å
• b: 7.572 ± 0.002 Å
• c: 26.926 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2171.6 ± 1.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.1502
• Weighted residual factors for significantly intense reflections: 0.456
• Weighted residual factors for all reflections included in the refinement: 0.4611
• Goodness-of-fit parameter for all reflections included in the refinement: 2.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No