Information card for entry 7128440

Structure parameters

• Formula: C10 H28 Cl6 Mn N4
• Calculated formula: C10 H28 Cl6 Mn N4
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-].[NH+]1(CC[NH2+]CC1)C.[NH+]1(CC[NH2+]CC1)C
• 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: 8.0465 ± 0.0001 Å
• b: 15.391 ± 0.0001 Å
• c: 16.9396 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2097.86 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No