Information card for entry 7000815

Structure parameters

• Formula: C44 H73 Cu2 N5 O8
• Calculated formula: C44 H73 Cu2 N5 O8
• SMILES: [Cu]123[NH](Cc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)CC1[O]2[Cu]2([NH](C1)Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)OC(=[O]3)C.N(C)(C)C=O.N(C)(C)C=O.N(C)(C)C=O
• 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: 9.972 ± 0.002 Å
• b: 14.743 ± 0.004 Å
• c: 17.732 ± 0.005 Å
• α: 108.293 ± 0.003°
• β: 91.948 ± 0.002°
• γ: 90.183 ± 0.003°
• Cell volume: 2473.5 ± 1.1 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: 0.0549
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No