Information card for entry 7222169

Structure parameters

• Formula: C33 H72 Br7 N3 Zn2
• Calculated formula: C33 H72 Br6.9999 N3 Zn2
• 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: 14.7234 ± 0.0002 Å
• b: 14.7234 ± 0.0002 Å
• c: 12.4759 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2342.17 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No