Information card for entry 2011031

Structure parameters

• Formula: C18 H24 Cl2 Cu N4 O5
• Calculated formula: C18 H24 Cl2 Cu N4 O5
• SMILES: [Cu]123(Cl)[n]4ccccc4C[N]1(Cc1[n]2cccc1)CC[N]13CCOCC1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Four copper(II) complexes with potentially tetradentate tripodal ligands
• Authors of publication: Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e233 - e235
• a: 9.282 ± 0.003 Å
• b: 11.592 ± 0.004 Å
• c: 19.731 ± 0.003 Å
• α: 90°
• β: 90.76 ± 0.02°
• γ: 90°
• Cell volume: 2122.8 ± 1.1 ų
• Cell temperature: 299 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes