Information card for entry 1561231

Structure parameters

• Formula: C8 H14 Fe2 N O13
• Calculated formula: C8.0002 H6 Fe2 N1.0002 O13.0002
• Title of publication: Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks
• Authors of publication: Mączka, Mirosław; Kucharska, Edyta; Gągor, Anna; Pikul, Adam; Hanuza, Jerzy
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 163 - 169
• a: 8.2317 ± 0.0002 Å
• b: 8.2317 ± 0.0002 Å
• c: 14.1998 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 833.28 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0913
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.0726
• Goodness-of-fit parameter for all reflections: 1.52
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No