Information card for entry 4337213

Structure parameters

• Formula: C0.13 H0.75 Cl0.25 Fe0.06 N0.13
• Calculated formula: C0.125 H0.78 Cl0.25 Fe0.0625 N0.125
• Title of publication: On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].
• Authors of publication: Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2068 - 2075
• a: 5.12 ± 0.004 Å
• b: 5.12 ± 0.004 Å
• c: 19.272 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 505.2 ± 0.7 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No