Information card for entry 1574939

Structure parameters

• Formula: C38 H28 Mn2 N10 O4 Re
• Calculated formula: C38 H28 Mn2 N10 O4 Re
• Title of publication: A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.
• Authors of publication: Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 13413 - 13421
• a: 14.4843 ± 0.0004 Å
• b: 14.4843 ± 0.0004 Å
• c: 18.3887 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3857.9 ± 0.2 ų
• Cell temperature: 420 K
• Ambient diffraction temperature: 420 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No