Information card for entry 4349909

Structure parameters

• Formula: C10 H24 Cl4 Mn N2
• Calculated formula: C10 H24 Cl4 Mn N2
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].C1[NH+](CCC1)C.C[NH+]1CCCC1
• 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: 12.0944 ± 0.0006 Å
• b: 12.6583 ± 0.0006 Å
• c: 23.3484 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3574.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No