Information card for entry 1567014

Structure parameters

• Chemical name: Zn-51
• Formula: C12 H10 Cl2 N6 Zn
• Calculated formula: C12 H10 Cl2 N6 Zn
• SMILES: [Zn](Cl)(Cl)([n]1n[nH]c2c1cccc2)[n]1n[nH]c2c1cccc2
• Title of publication: Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides
• Authors of publication: Zhou, Bo; Yan, Dongpeng
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 7.5599 ± 0.0002 Å
• b: 13.9242 ± 0.0004 Å
• c: 13.8315 ± 0.0004 Å
• α: 90°
• β: 92.303 ± 0.002°
• γ: 90°
• Cell volume: 1454.8 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No