Information card for entry 7120000

Structure parameters

• Formula: C10 H32 Cl8 N2 O4 Zn3
• Calculated formula: C10 H32 Cl8 N2 O4 Zn3
• SMILES: C(C[N+](C)(C)C)[OH][Zn]([OH]CC[N+](C)(C)C)([OH2])([OH2])([Cl][Zn](Cl)(Cl)Cl)[Cl][Zn](Cl)(Cl)Cl
• 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: 7.617 ± 0.003 Å
• b: 13.788 ± 0.005 Å
• c: 13.087 ± 0.005 Å
• α: 90°
• β: 104.365 ± 0.006°
• γ: 90°
• Cell volume: 1331.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No