Information card for entry 4003031

Structure parameters

• Formula: C6 H18 Br4 N2 O2 Pb
• Calculated formula: C6 H18 Br4 N2 O2 Pb
• SMILES: C(COCCOCC[NH3+])[NH3+].[Pb](Br)Br.[Br-].[Br-]
• Title of publication: Optically Modulated Ultra-Broad-Band Warm White Emission in Mn2±Doped (C6H18N2O2)PbBr4 Hybrid Metal Halide Phosphor
• Authors of publication: Zhou, Guojun; Jiang, Xingxing; Molokeev, Maxim; Lin, Zheshuai; Zhao, Jing; Wang, Jing; Xia, Zhiguo
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5788
• a: 6.1145 ± 0.0001 Å
• b: 28.731 ± 0.0005 Å
• c: 8.9259 ± 0.0002 Å
• α: 90°
• β: 91.487 ± 0.002°
• γ: 90°
• Cell volume: 1567.54 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0239
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No