Information card for entry 2205672

Structure parameters

• Chemical name: Bis{[N-(4-hydroxysalicylidene)-N^'^,N^'^-diethylethyldiamine-κ^2^N,O] copper(II)oxalate} dihydrate
• Formula: C30 H44 Cu2 N4 O14
• Calculated formula: C30 H44 Cu2 N4 O14
• SMILES: [Cu]123(OC(=O)C(=O)O1)[N](CC[NH+](CC)CC)=Cc1ccc(O)cc1[O]2[Cu]12(OC(=O)C(=O)O1)[N](CC[NH+](CC)CC)=Cc1ccc(O)cc1[O]23.O.O
• Title of publication: A new Schiff base copper (II) complex: bis[<i>N</i>-(4-hydroxysalicylidene)-<i>N</i>',<i>N</i>'-diethylethylenediamine-κ^2^<i>N</i>,<i>O</i>]bis[(oxalato-κ^2^<i>O</i>,<i>O</i>')copper(II)] dihydrate
• Authors of publication: Guang-Jun Xu; Shi-Ping Yan; Dai-Zheng Liao; Zong-Hui Jiang; Peng Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m933 - m935
• a: 8.372 ± 0.003 Å
• b: 10.449 ± 0.003 Å
• c: 10.781 ± 0.003 Å
• α: 96.099 ± 0.005°
• β: 110.379 ± 0.005°
• γ: 99.826 ± 0.005°
• Cell volume: 857 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes