Information card for entry 7000816

Structure parameters

• Formula: C51 H64 Cu2 N7 O11 P
• Calculated formula: C51 H64 Cu2 N7 O11 P
• SMILES: [Cu]123Oc4c(cc(cc4C=[N]3CC3[O]1[Cu]1([N](C3)=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)OP(=[O]2)(Oc1ccc(N(=O)=O)cc1)Oc1ccc(N(=O)=O)cc1)C(C)(C)C)C(C)(C)C.N#CC.N#CC.N#CC
• Title of publication: Synthesis, structure, magnetic properties and DNA cleavage of binuclear Cu(II) Schiff-base complexes
• Authors of publication: Kou, Yingying; Tian, Jinlei; Li, Dongdong; Gu, Wen; Liu, Xin; Yan, Shiping; Liao, Daizheng; Cheng, Peng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2374 - 2382
• a: 10.718 ± 0.002 Å
• b: 15.912 ± 0.003 Å
• c: 17.567 ± 0.004 Å
• α: 102.9 ± 0.03°
• β: 107.26 ± 0.03°
• γ: 92.94 ± 0.03°
• Cell volume: 2766.5 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No