Information card for entry 2010958

Structure parameters

• Formula: C38 H36 Cl2 Cu2 N6 O10
• Calculated formula: C38 H36 Cl2 Cu2 N6 O10
• SMILES: c1cccc2C[N]34[Cu]5([n]12)([n]1c(C3)cccc1)[O](c1c(C4)cccc1)[Cu]123[n]4ccccc4C[N]1(Cc1cccc[n]21)Cc1ccccc1[O]53.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Redetermination of bis{[(2-hydroxyphenylmethyl)bis(2-pyridylmethyl)aminato]copper(II)} diperchlorate
• 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: 5
• Pages of publication: e201 - e201
• a: 11.38 ± 0.001 Å
• b: 9.877 ± 0.002 Å
• c: 17.4 ± 0.002 Å
• α: 90°
• β: 104.79 ± 0.01°
• γ: 90°
• Cell volume: 1891 ± 0.5 ų
• Cell temperature: 298 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: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes