Information card for entry 2231666

Structure parameters

• Chemical name: Bis[4-(1-iminoethyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-olato- κ^2^<i>O</i>,<i>N</i>^4^]copper(II)
• Formula: C24 H24 Cu N6 O2
• Calculated formula: C24 H24 Cu N6 O2
• SMILES: [Cu]12([NH]=C(c3c(n(c4ccccc4)nc3C)O2)C)[NH]=C(c2c(n(c3ccccc3)nc2C)O1)C
• Title of publication: Bis[4-(1-iminoethyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-olato-κ^2^<i>O</i>,<i>N</i>^4^]copper(II)
• Authors of publication: Zhu, Hualing; Wang, Zhan; Wei, Zhen; Bai, Yanan; Xv, Xiaoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1208
• a: 6.391 ± 0.006 Å
• b: 9.01 ± 0.008 Å
• c: 18.772 ± 0.017 Å
• α: 90°
• β: 98.701 ± 0.017°
• γ: 90°
• Cell volume: 1068.5 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes