Information card for entry 2236338

Structure parameters

• Chemical name: Bis(methanol-κ<i>O</i>)bis(oxamide oxime oximato-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(oxamide dioxime) methanol disolvate
• Formula: C12 H38 Cu N16 O12
• Calculated formula: C12 H38 Cu N16 O12
• SMILES: C1(C(=[N]([Cu]2(N=1=O)[N](=C(C(=N2=O)N)N)O)O)N)N.C(N)(C(N)=NO)=NO.C(N)(=NO)C(N)=NO.CO.CO.CO.CO
• Title of publication: Bis(methanol-κ<i>O</i>)bis(1,2-diamino-2-hydroxyiminoethanone oximato-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(oxamide dioxime) methanol disolvate
• Authors of publication: Liu, Daying; Zhang, Ruihong; Hu, Hui; Qi, Jing; Yang, Guangming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1235 - m1236
• a: 7.567 ± 0.003 Å
• b: 8.874 ± 0.004 Å
• c: 10.867 ± 0.005 Å
• α: 92.046 ± 0.004°
• β: 103.327 ± 0.009°
• γ: 104.957 ± 0.005°
• Cell volume: 682.5 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes