Information card for entry 7128437

Structure parameters

• Formula: C6 H16 Cl4 Mn N2
• Calculated formula: C6 H16 Cl4 Mn N2
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].[NH+]1(CC[NH2+]CC1)CC
• Title of publication: Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.
• Authors of publication: Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 56
• Pages of publication: 6907 - 6910
• a: 11.5561 ± 0.0002 Å
• b: 9.7596 ± 0.0002 Å
• c: 23.9095 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2696.58 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No