Information card for entry 7035736

Structure parameters

• Formula: C18 H17 Br Co N2 O4
• Calculated formula: C18 H17 Br Co N2 O4
• Title of publication: Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids.
• Authors of publication: An, Bing; Wang, Jun-Li; Bai, Yan; Dang, Dong-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14666 - 14672
• a: 10.3019 ± 0.0016 Å
• b: 15.482 ± 0.003 Å
• c: 10.919 ± 0.0016 Å
• α: 90°
• β: 92.482 ± 0.003°
• γ: 90°
• Cell volume: 1739.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No