Information card for entry 7703877

Structure parameters

• Formula: C16 H22 Br4 Mn N2
• Calculated formula: C16 H22 Br4 Mn N2
• SMILES: Br[Mn](Br)([Br-])[Br-].[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1
• Title of publication: Reversible luminescent humidity chromism of organic-inorganic hybrid PEA₂MnBr₄ single crystals.
• Authors of publication: Gao, Wanru; Leng, Meiying; Hu, Zhixiang; Li, Junze; Li, Dehui; Liu, Huan; Gao, Liang; Niu, Guangda; Tang, Jiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5662 - 5668
• a: 7.7863 ± 0.0001 Å
• b: 25.6928 ± 0.0001 Å
• c: 11.0626 ± 0.0001 Å
• α: 90°
• β: 91.291 ± 0.001°
• γ: 90°
• Cell volume: 2212.53 ± 0.04 ų
• Cell temperature: 273 ± 0.1 K
• Ambient diffraction temperature: 273 ± 0.1 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: 0.0493
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0236
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No