Information card for entry 7034431

Structure parameters

• Formula: C8 H14 Fe Mg N O12
• Calculated formula: C8 H14.0016 Fe1.002 Mg0.997 N1.0002 O12
• Title of publication: Temperature-dependent studies of [(CH3)2NH2][Fe(III)M(II)(HCOO)6] frameworks (M(II) = Fe and Mg): structural, magnetic, dielectric and phonon properties.
• Authors of publication: Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam; Ptak, Maciej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8846 - 8854
• a: 8.2076 ± 0.0002 Å
• b: 8.2076 ± 0.0002 Å
• c: 13.8988 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 810.85 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No