Information card for entry 7008755

Structure parameters

• Formula: C62 H74 Br6 Cu4 N10 O17
• Calculated formula: C62 H74 Br6 Cu4 N10 O17
• SMILES: [Cu]1234Oc5ccc(Br)cc5C=[N]2CC[N]23CC[N]35[Cu]6(Oc7c(C=[N]6CC3)cc(Br)cc7)([O]1c1c(C25)cc(Br)cc1)[O]=C(O4)C.N#CC.O.O.O.O
• Title of publication: Ferromagnetism in dinuclear copper(ii)-phenolate complexes with exogenous O-donor bridges: a comparative study
• Authors of publication: Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M.; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3785
• a: 18.547 ± 0.003 Å
• b: 13.246 ± 0.002 Å
• c: 29.374 ± 0.004 Å
• α: 90°
• β: 98.08 ± 0.003°
• γ: 90°
• Cell volume: 7144.8 ± 1.9 ų
• Cell temperature: 120 ± 3 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No