Information card for entry 7128438

Structure parameters

• Formula: C9 H23 Cl4 Mn N3
• Calculated formula: C9 H23 Cl4 Mn N3
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].N(C)(C)CC[NH+]1CC[NH+](C)CC1
• 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: 9.996 ± 0.0002 Å
• b: 14.3566 ± 0.0002 Å
• c: 15.378 ± 0.0003 Å
• α: 90°
• β: 128.657 ± 0.001°
• γ: 90°
• Cell volume: 1723.35 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No