Information card for entry 2015709

Structure parameters

• Chemical name: {μ-N,N'-Bis[3-(dimethylamino)propyl]oxamidato(2-)- κ^6^N,N',O':N'',N''',O}bis[(1H-imidazole-κN^3^)(methanol-κO)copper(II)] bis(perchlorate)
• Formula: C20 H40 Cl2 Cu2 N8 O12
• Calculated formula: C20 H40 Cl2 Cu2 N8 O12
• SMILES: C[N]1(C)CCC[N]2[Cu]1([n]1c[nH]cc1)OC1C=2O[Cu]2([N]=1CCC[N]2(C)C)[n]1c[nH]cc1.CO.[O-]Cl(=O)(=O)=O.CO.[O-]Cl(=O)(=O)=O
• Title of publication: {μ-<i>N</i>,<i>N</i>'-Bis[3-(dimethylamino)propyl]oxamidato(2–)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>':<i>N</i>'',<i>N</i>''',<i>O</i>}bis[(1<i>H</i>-imidazole-κ<i>N</i>^3^)(methanol-κ<i>O</i>)copper(II)] bis(perchlorate)
• Authors of publication: Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Yu-Lan Song; Man Jiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m584 - m586
• a: 10.023 ± 0.003 Å
• b: 13.084 ± 0.003 Å
• c: 12.317 ± 0.003 Å
• α: 90°
• β: 102.328 ± 0.004°
• γ: 90°
• Cell volume: 1578 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes