Information card for entry 1571702

Structure parameters

• Common name: A2ZnBr4,H2O
• Chemical name: A2ZnBr4,H2O
• Formula: C16 H22 Br4 N2 O3 Zn
• Calculated formula: C16 H22 Br4 N2 O3 Zn
• Title of publication: High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions
• Authors of publication: Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 10046 - 10055
• a: 7.5012 ± 0.0002 Å
• b: 17.0754 ± 0.0004 Å
• c: 17.8494 ± 0.0006 Å
• α: 90°
• β: 101.815 ± 0.001°
• γ: 90°
• Cell volume: 2237.82 ± 0.11 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0263
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No