Information card for entry 7109139

Structure parameters

• Formula: C112 H176 Cu2 N10 O18
• Calculated formula: C100 H156 Cu2 N8 O16
• SMILES: c12C(=O)c3ccccc3C(=O)c2c2ccc1N1[Cu]3(N(C(=O)C(=O)O3)c3c4c(c(cc3)N3C(=O)C(=O)O[Cu]53N2C(=O)C(=O)O5)C(=O)c2c(C4=O)cccc2)OC(=O)C1=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Multielectron transfer in a dicopper(II) anthraquinophane
• Authors of publication: Maria Castellano; Rafael Ruiz-Garcia; Joan Cano; Miguel Julve; Francesc Lloret; Yves Journaux; Giovanni De Munno; Donatella Armentano
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3534
• a: 14.842 ± 0.001 Å
• b: 14.842 ± 0.001 Å
• c: 25.8161 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5686.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No