Information card for entry 2214873

Structure parameters

• Chemical name: trans-Bis[2-(2-bromobenzamido)-1,3-oxazoline(1-)-κ^2^N^1^,O]copper(II)
• Formula: C20 H16 Br2 Cu N4 O4
• Calculated formula: C20 H16 Br2 Cu N4 O4
• SMILES: C1(O[Cu]2([N]3CCOC=3N=1)[N]1=C(N=C(c3c(cccc3)Br)O2)OCC1)c1c(cccc1)Br
• Title of publication: <i>trans</i>-Bis[2-(2-bromobenzamido)-1,3-oxazoline(1{-})-κ^2^<i>N</i>^1^,<i>O</i>]copper(II)
• Authors of publication: Yu-Wei Chang; Jing-Jun Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2126 - m2126
• a: 11.4637 ± 0.0009 Å
• b: 11.9265 ± 0.0009 Å
• c: 14.9016 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2037.4 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes