Information card for entry 7119999

Structure parameters

• Formula: C10 H28 Cl8 N2 O2 Zn3
• Calculated formula: C10 H28 Cl8 N2 O2 Zn3
• SMILES: Cl[Zn]1(Cl)[Cl][Zn]2([Cl]1)([OH]CC[N+](C)(C)C)([OH]CC[N+](C)(C)C)[Cl][Zn](Cl)(Cl)[Cl]2
• Title of publication: Crystal Structure of Zn(ZnCl4)2(Cho)2: The Transformation of Ions to Neutral Species in a Deep Eutectic System
• Authors of publication: Patil, Yogesh P.; Kore, Rajkumar; Kelley, Steven Paul; Griffin, Scott T.; Rogers, Robin D.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.437 ± 0.013 Å
• b: 13.02 ± 0.02 Å
• c: 11.652 ± 0.018 Å
• α: 90°
• β: 95.695 ± 0.017°
• γ: 90°
• Cell volume: 1274 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No