Information card for entry 1516943

Structure parameters

• Formula: C42 H47 Cu4 N5 O12
• Calculated formula: C42 H47 Cu4 N5 O12
• SMILES: [Cu]1234[N](=Cc5c(O1)c(OC)ccc5)CC[O]12[Cu]256Oc7c(cccc7OC)C=[N]2CC[O]25[Cu]571Oc1c(cccc1OC)C=[N]5CC[O]37[Cu]132Oc2c(cccc2OC)C=[N]1CC[O]463.N#CC
• Title of publication: Synthesis, structure and magnetism of three cubane Cu(II) and Ni(II) complexes based on flexible Schiff-base ligands
• Authors of publication: Zhengliang Lu; Tao Fan; Weiwei Guo; Jing Lu; Chunhua Fan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 191 - 196
• a: 11.9186 ± 0.0012 Å
• b: 12.2974 ± 0.0012 Å
• c: 15.2404 ± 0.0013 Å
• α: 102.571 ± 0.008°
• β: 92.372 ± 0.008°
• γ: 99.842 ± 0.008°
• Cell volume: 2140.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No