Information card for entry 4518742

Structure parameters

• Chemical name: Zn-Bpeb
• Formula: C20 H18 Cl4 N2 Zn
• Calculated formula: C20 H18 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(cc1)/C=C/c1ccc(/C=C/c2cc[nH+]cc2)cc1
• Title of publication: Low-Dimensional Organic Metal Halide Hybrids with Excitation-Dependent Optical Waveguides from Visible to Near-Infrared Emission.
• Authors of publication: Wu, Siqin; Zhou, Bo; Yan, Dongpeng
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• a: 7.0688 ± 0.0002 Å
• b: 19.4569 ± 0.0005 Å
• c: 15.0383 ± 0.0004 Å
• α: 90°
• β: 93.641 ± 0.002°
• γ: 90°
• Cell volume: 2064.15 ± 0.1 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: 0.049
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No