Information card for entry 7106930

Structure parameters

• Formula: C100 H160 Cu2 N8 O12
• Calculated formula: C100 H160 Cu2 N8 O12
• Title of publication: Photoswitching of the antiferromagnetic coupling in an oxamato-based dicopper(II) anthracenophane
• Authors of publication: Maria Castellano; Jesus Ferrando-Soria; Emilio Pardo; Miguel Julve; Francesc Lloret; Corine Mathoniere; Jorge Pasan; Catalina Ruiz-Perez; Laura Canadillas-Delgado; Rafael Ruiz-Garcia; Joan Cano
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11035
• a: 23.49 ± 0.005 Å
• b: 16.875 ± 0.003 Å
• c: 24.537 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9726 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.738 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No