Information card for entry 1512419

Structure parameters

• Formula: C51.5 H63 Cl4 Cu4 N10 O16.5
• Calculated formula: C51.7 H62.8 Cl4 Cu4 N10 O16.7
• SMILES: [Cu]123Oc4ccc(cc4[N]1=C1C(O[Cu]4(O1)([OH2])[n]1ccc(cc1c1cc(cc[n]41)C)C)=[N]2CCC[N]3(C)C)Cl.[Cu]123Oc4c([N]1=C1C(O[Cu]5(O1)([OH]C)[n]1ccc(cc1c1cc(cc[n]51)C)C)=[N]2CCC[N]3(C)C)cc(Cl)cc4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Syntheses and structures of bicopper(II) complexes bridged by N-(5-chloro-2-hydroxyphenyl)-N'-[3-(dimethylamino)propyl]oxamide: Cytotoxic activities, and reactivities towards DNA and protein
• Authors of publication: Xiao-Wen Lia; Yan-Tuan Lia; Zhi-Yong Wub; Cui-Wei Yan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 190 - 198
• a: 12.8967 ± 0.0017 Å
• b: 14.469 ± 0.002 Å
• c: 16.607 ± 0.002 Å
• α: 92.05 ± 0.002°
• β: 90.239 ± 0.002°
• γ: 94.851 ± 0.002°
• Cell volume: 3085.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No