Information card for entry 7228403

Structure parameters

• Formula: C8 H18 N2 Ni2 O13
• Calculated formula: C8 H18.0016 N2.0004 Ni2 O13.0002
• Title of publication: Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties
• Authors of publication: Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 8.0241 ± 0.0004 Å
• b: 8.0241 ± 0.0004 Å
• c: 7.3421 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 409.4 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No