Information card for entry 7713242

Structure parameters

• Formula: C103 H179 Cl16 Mn4 N16
• Calculated formula: C103 H179 Cl16 Mn4 N16
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].[Mn](Cl)(Cl)([Cl-])[Cl-].[Mn](Cl)(Cl)([Cl-])[Cl-].[Mn](Cl)(Cl)([Cl-])[Cl-].[N+]1(=CN(C2CCCCC2)CC1)C1CCCCC1.[N+]1(=CN(N2CCCCC2)CC1)N1CCCCC1.[N+]1(CCN(C=1)C1CCCCC1)C1CCCCC1.[N+]1(C2CCCCC2)=CN(CC1)C1CCCCC1.N1(CC[N+](C2CCCCC2)=C1)C1CCCCC1.[N+]1(=CN(CC1)C1CCCCC1)C1CCCCC1.[N+]1(=CN(CC1)C1CCCCC1)C1CCCCC1
• Title of publication: A room temperature ferroelectric material with photoluminescence: (1,3-dicyclohexylimidazole)₂MnCl₄.
• Authors of publication: Chen, Peng; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Yang, Zhu; Lu, Yanzhou; Zhang, Wentao; Cai, Hong-Ling; Wu, X. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 16.9646 ± 0.0007 Å
• b: 17.3879 ± 0.0007 Å
• c: 26.959 ± 0.0011 Å
• α: 81.6 ± 0.003°
• β: 78.332 ± 0.003°
• γ: 67.56 ± 0.004°
• Cell volume: 7177.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2859
• Weighted residual factors for all reflections included in the refinement: 0.3378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No