Information card for entry 7237365

Structure parameters

• Formula: C4 H10 N2 O6 Zn
• Calculated formula: C3.9999 H9.9993 N1.9998 O6 Zn
• Title of publication: On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate
• Authors of publication: Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 35
• Pages of publication: 9420
• a: 8.0493 ± 0.0003 Å
• b: 8.0493 ± 0.0003 Å
• c: 22.26 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1249.03 ± 0.09 ų
• Cell temperature: 179.98 ± 0.1 K
• Ambient diffraction temperature: 179.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No