Information card for entry 7234559

Structure parameters

• Formula: C8 H14 Fe2 N O12
• Calculated formula: C7.9999 H14.0016 Fe2 N O12
• Title of publication: Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks
• Authors of publication: Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 1186 - 1193
• a: 8.2294 ± 0.0002 Å
• b: 8.2294 ± 0.0002 Å
• c: 14.1221 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 828.26 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No