Information card for entry 2014601

Structure parameters

• Common name: Tris(2,2'-bisoxazoline-k^2^N,N')copper(II) diperchlorate
• Chemical name: tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']copper(II) diperchlorate
• Formula: C18 H24 Cl2 Cu N6 O14
• Calculated formula: C18 H24 Cl2 Cu N6 O14
• SMILES: [Cu]123([N]4=C(C5OCC[N]1=5)OCC4)([N]1=C(OCC1)C1=[N]2CCO1)[N]1=C(C2OCC[N]=23)OCC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate
• Authors of publication: Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m147 - m150
• a: 9.3766 ± 0.0019 Å
• b: 17.734 ± 0.004 Å
• c: 16.35 ± 0.003 Å
• α: 90°
• β: 98.54 ± 0.03°
• γ: 90°
• Cell volume: 2688.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1357
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes