Information card for entry 4337224

Structure parameters

• Formula: C H6 Cl2 Fe0.5 N
• Calculated formula: C0.5 H3 Cl Fe0.25 N0.5
• 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: 7.198 ± 0.002 Å
• b: 7.198 ± 0.002 Å
• c: 19.148 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 992.1 ± 0.6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No