Information card for entry 4110518

Structure parameters

• Formula: C24 H28 Cu Fe N16 O8
• Calculated formula: C12 H6 Cu0.5 Fe N8 O4
• Title of publication: [Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets
• Authors of publication: Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4842 - 4853
• a: 6.9927 ± 0.0006 Å
• b: 10.8763 ± 0.0008 Å
• c: 12.2831 ± 0.0013 Å
• α: 69.21 ± 0.007°
• β: 81.602 ± 0.007°
• γ: 87.821 ± 0.006°
• Cell volume: 863.9 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1648
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No