Information card for entry 7237366

Structure parameters

• Formula: C8 H20 N4 O12 Zn2
• Calculated formula: C8 H20 N4 O12 Zn2
• 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: 8.029 ± 0.002 Å
• b: 8.027 ± 0.002 Å
• c: 8.722 ± 0.003 Å
• α: 62.81 ± 0.03°
• β: 63.22 ± 0.03°
• γ: 59.99 ± 0.03°
• Cell volume: 414.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No