Information card for entry 7222170

Structure parameters

• Formula: C16 H40 Br6 N2 Zn2
• Calculated formula: C16 H40 Br6 N2 Zn2
• SMILES: C(C)[N+](CC)(CC)CC.[Br]1[Zn](Br)([Br][Zn]1(Br)Br)Br.C(C)[N+](CC)(CC)CC
• Title of publication: Zinc bromide in aqueous solutions of ionic liquid bromide salts: the interplay between complexation and electrochemistry
• Authors of publication: Easton, Max Eric; Turner, Peter; Masters, Anthony Frederick; Maschmeyer, Thomas
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.9131 ± 0.001 Å
• b: 10.4346 ± 0.0012 Å
• c: 15.6895 ± 0.0019 Å
• α: 90°
• β: 104.58 ± 0.007°
• γ: 90°
• Cell volume: 1412.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No