Information card for entry 4349908

Structure parameters

• Formula: C12 H28 Cl4 Mn N2
• Calculated formula: C12 H28 Cl4 Mn N2
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].[NH+]1(CCCCC1)C.[NH+]1(CCCCC1)C
• Title of publication: High quantum yield and unusual photoluminescence behaviour in tetrahedral manganese(ii) based on hybrid compounds
• Authors of publication: Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 2615
• a: 12.526 ± 0.003 Å
• b: 12.021 ± 0.002 Å
• c: 13.124 ± 0.003 Å
• α: 90°
• β: 96.99 ± 0.03°
• γ: 90°
• Cell volume: 1961.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No