Information card for entry 7008757

Structure parameters

• Formula: C28.5 H31 Br3 Cu2 N4 O5.5
• Calculated formula: C28.521 H29.084 Br3 Cu2 N4 O5.607
• 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: 9.9213 ± 0.0012 Å
• b: 11.4347 ± 0.0014 Å
• c: 28.335 ± 0.003 Å
• α: 90°
• β: 97.937 ± 0.002°
• γ: 90°
• Cell volume: 3183.7 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No