Information card for entry 4110515

Structure parameters

• Formula: C36 H28 Fe N8 O P
• Calculated formula: C36 H26 Fe N8 O P
• 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: 33.6916 ± 0.001 Å
• b: 13.9812 ± 0.001 Å
• c: 31.1808 ± 0.001 Å
• α: 90°
• β: 117.261 ± 0.01°
• γ: 90°
• Cell volume: 13056.3 ± 1.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No