Information card for entry 4350720

Structure parameters

• Formula: C111.5 H138.5 Cl1.5 F6 Fe6 Li O33 P
• Calculated formula: C111 H102 Cl1.5 F6 Fe6 Li O33 P
• Title of publication: Modulated Magnetic Coupling in Alkoxoiron(III) Rings by Host−Guest Interactions with Alkali Metal Cations
• Authors of publication: Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Malavasi, Wanda; Schenetti, Luisa; Caneschi, Andrea; Gatteschi, Dante
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Journal issue: 27
• Pages of publication: 6443
• a: 14.523 ± 0.002 Å
• b: 14.523 ± 0.002 Å
• c: 14.523 ± 0.002 Å
• α: 84.35 ± 0.01°
• β: 84.35 ± 0.01°
• γ: 84.35 ± 0.01°
• Cell volume: 3021.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections: 0.253
• Weighted residual factors for significantly intense reflections: 0.193
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.245
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No