Information card for entry 7108163

Structure parameters

• Formula: C124 H134 Cu2 N4 O27 P4
• Calculated formula: C124 H104 Cu2 N4 O27 P4
• Title of publication: Redox switching of the antiferromagnetic coupling in permethylated dicopper(II) paracyclophanes
• Authors of publication: Jesus Ferrando-Soria; Maria Castellano; Rafael Ruiz-Garcia; Joan Cano; Miguel Julve; Francesc Lloret; Jorge Pasan; Catalina Ruiz-Perez; Laura Canadillas-Delgado; Yangling Li; Yves Journaux; Emilio Pardo
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8401
• a: 13.532 ± 0.001 Å
• b: 15.708 ± 0.001 Å
• c: 15.836 ± 0.001 Å
• α: 71.217 ± 0.001°
• β: 70.92 ± 0.001°
• γ: 68.965 ± 0.001°
• Cell volume: 2888.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7513 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No