Information card for entry 4004078

Structure parameters

• Formula: C8 H28 Ag Cl8 Fe N4
• Calculated formula: C8 H28 Ag Cl8 Fe N4
• Title of publication: Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites
• Authors of publication: Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng
• Journal of publication: Chemistry of Materials
• Year of publication: 2022
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 2813 - 2823
• a: 7.5923 ± 0.0005 Å
• b: 10.8224 ± 0.0007 Å
• c: 13.3237 ± 0.0007 Å
• α: 76.162 ± 0.005°
• β: 89.632 ± 0.005°
• γ: 89.618 ± 0.005°
• Cell volume: 1062.96 ± 0.12 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No