Information card for entry 7004173

Structure parameters

• Formula: C24 H24 Cu2 N4 O10
• Calculated formula: C24 H24 Cu2 N4 O10
• SMILES: C1(=[O][Cu]2(n3cccc(c3c3[n]2cccc3O)=O)([OH2])OC(C)=[O][Cu]2(n3cccc(c3c3[n]2cccc3O)=O)([OH2])O1)C
• Title of publication: The magnetic study of a binuclear Cu(ii) complex with π‒π stacking interactions
• Authors of publication: Hou, Chao; Shi, Jing-Min; Sun, You-Min; Shi, Wei; Cheng, Peng; Liu, Lian-Dong
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5970 - 5976
• a: 18.431 ± 0.009 Å
• b: 10.648 ± 0.005 Å
• c: 14.296 ± 0.007 Å
• α: 90°
• β: 117.574 ± 0.008°
• γ: 90°
• Cell volume: 2487 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No