Information card for entry 1552863

Structure parameters

• Formula: C14 H22 Cl4 N4 O4 Zn
• Calculated formula: C14 H22 Cl4 N4 O4 Zn
• SMILES: C(=O)(N)c1ccc(cc1)[NH3+].O.O.Cl[Zn](Cl)([Cl-])[Cl-].c1(ccc(cc1)[NH3+])C(=O)N
• Title of publication: Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury
• Authors of publication: Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2019
• a: 19.0472 ± 0.0008 Å
• b: 15.0384 ± 0.0006 Å
• c: 7.2585 ± 0.0004 Å
• α: 90°
• β: 96.774 ± 0.004°
• γ: 90°
• Cell volume: 2064.61 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No