Information card for entry 4518743

Structure parameters

• Formula: C22 H18 Cd Cl4 N0.25
• Calculated formula: C20 H18 Cd Cl4 N2
• SMILES: [Cd](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(/C=C/c2ccc(cc2)/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: 7.1137 ± 0.0002 Å
• b: 19.6771 ± 0.0004 Å
• c: 15.1342 ± 0.0003 Å
• α: 90°
• β: 96.795 ± 0.002°
• γ: 90°
• Cell volume: 2103.56 ± 0.08 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: 0.0284
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No