Information card for entry 4322510

Structure parameters

• Chemical name: [Fe2Cu2(CN)4(bpy)6](PF6)4
• Formula: C65 H48 Cl3 Cu2 F24 Fe2 N16 O2 P4
• Calculated formula: C66 H48 Cl6 Cu2 F24 Fe2 N16 O2 P4
• Title of publication: Cyanide-Bridged Iron-Copper Molecular Squares with Doublet and Quintet Spin Ground States
• Authors of publication: Hiroki Oshio; Osamu Tamada; Hironori Onodera; Tasuku Ito; Tadaaki Ikoma; Shozo Tero-Kubota
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5686 - 5689
• a: 14.491 ± 0.004 Å
• b: 15.312 ± 0.004 Å
• c: 12.959 ± 0.003 Å
• α: 91.38 ± 0.02°
• β: 109.56 ± 0.02°
• γ: 65.41 ± 0.02°
• Cell volume: 2441.4 ± 1.2 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1591
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections: 0.3101
• Weighted residual factors for significantly intense reflections: 0.2296
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No