Information card for entry 4332442

Structure parameters

• Formula: C50 H44 B2 Fe2 N26 Ni O2
• Calculated formula: C50 H44.002 B2 Fe2 N26 Ni O2.001
• Title of publication: AnS= 2 Cyanide-Bridged Trinuclear FeIII2NiIISingle-Molecule Magnet
• Authors of publication: Li, Dongfeng; Clérac, Rodolphe; Parkin, Sean; Wang, Guangbin; Yee, Gordon T.; Holmes, Stephen M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5251 - 5253
• a: 8.7275 ± 0.0002 Å
• b: 22.6306 ± 0.0006 Å
• c: 15.3268 ± 0.0004 Å
• α: 90°
• β: 105.059 ± 0.001°
• γ: 90°
• Cell volume: 2923.22 ± 0.13 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No