Information card for entry 7061138

Structure parameters

• Formula: C12 H28 Cl4 Mn N2 O2
• Calculated formula: C12 H28 Cl4 Mn N2 O2
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].O1CC[NH+](CC1)CC.O1CC[NH+](CC1)CC
• Title of publication: A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties
• Authors of publication: Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 1054 - 1059
• a: 8.2737 ± 0.0012 Å
• b: 10.4938 ± 0.0015 Å
• c: 12.0521 ± 0.0017 Å
• α: 89.602 ± 0.001°
• β: 79.517 ± 0.001°
• γ: 84.377 ± 0.001°
• Cell volume: 1023.9 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0449
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No