Information card for entry 4002953

Structure parameters

• Formula: C10 H14 Br4 N4 Zn
• Calculated formula: C10 H14 Br4 N4 Zn
• SMILES: Br[Zn](Br)([Br-])[Br-].[nH+]1ccc(N)cc1.[nH+]1ccc(N)cc1
• Title of publication: Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission
• Authors of publication: Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2983
• a: 7.2941 ± 0.0005 Å
• b: 15.3229 ± 0.001 Å
• c: 15.3893 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1720 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.018
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No