Information card for entry 7015852

Structure parameters

• Formula: C28 H44 Cl2 Cu N8 O8
• Calculated formula: C28 H44 Cl2 Cu N8 O8
• SMILES: c12c(ccc(c1)Cl)O[Cu]1([N](=C2)n2c(C)nnc2C)[N](=Cc2c(ccc(c2)Cl)O1)n1c(C)nnc1C.O.OC.OCC.O.OC.OCC
• Title of publication: Mononuclear copper(ii) complexes with 3,5-substituted-4-salicylidene-amino-3,5-dimethyl-1,2,4-triazole: synthesis, structure and potent inhibition of protein tyrosine phosphatases.
• Authors of publication: Ma, Ling; Lu, Liping; Zhu, Miaoli; Wang, Qingming; Li, Ying; Xing, Shu; Fu, Xueqi; Gao, Zengqiang; Dong, Yuhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6532 - 6540
• a: 7.7403 ± 0.0006 Å
• b: 8.7315 ± 0.0007 Å
• c: 15.534 ± 0.002 Å
• α: 102.878 ± 0.002°
• β: 100.102 ± 0.002°
• γ: 101.399 ± 0.001°
• Cell volume: 976.45 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No