Information card for entry 4337228

Structure parameters

• Formula: C H6 Cl2 Fe0.5 N
• Calculated formula: C H6 Cl2 Fe0.5 N
• 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: 7.1764 ± 0.0015 Å
• b: 7.2095 ± 0.0015 Å
• c: 19.128 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 989.6 ± 0.4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No