Information card for entry 7022904

Structure parameters

• Formula: C38 H36 Cu N10 O10
• Calculated formula: C38 H36 Cu N10 O10
• SMILES: N(C=[O][Cu]12(Oc3c(c(=O)n(c4ccccc34)C)N=[N]1c1ccc(cc1)N(=O)=O)([N](=Nc1c(=O)n(c3ccccc3c1O2)C)c1ccc(cc1)N(=O)=O)[O]=CN(C)C)(C)C
• Title of publication: Two pairs of 1 : 2 nickel(II) and copper(II) metal-complex dyes showing the same trans configuration and azo-hydrazone transformation but different thermal properties.
• Authors of publication: Chen, Xiao-Chun; Wang, Yin-Ge; Tao, Tao; Geng, Jiao; Huang, Wei; Qian, Hui-Fen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7679 - 7692
• a: 9.443 ± 0.005 Å
• b: 9.828 ± 0.007 Å
• c: 11.689 ± 0.007 Å
• α: 72.521 ± 0.01°
• β: 69.916 ± 0.009°
• γ: 78.602 ± 0.009°
• Cell volume: 966.4 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No