Information card for entry 7224313

Structure parameters

• Formula: C8 H14 Fe2 N O12
• Calculated formula: C8.002 H14.006 Fe2 N1.001 O12
• Title of publication: Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
• Authors of publication: Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 8462 - 8467
• a: 14.2991 ± 0.0005 Å
• b: 14.2991 ± 0.0005 Å
• c: 41.5361 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7354.8 ± 0.4 ų
• Cell temperature: 149.97 ± 0.18 K
• Ambient diffraction temperature: 149.97 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No