Information card for entry 2203595

Structure parameters

• Chemical name: Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato- tetracobalt(II) diiodide diacetonitrile monohydrate
• Formula: C48 H44 Co4 F6 I2 N10 O9
• Calculated formula: C48 H44 Co4 F6 I2 N10 O9
• Title of publication: Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato-tetracobalt(II) diiodide diacetonitrile monohydrate: a compound containing a tetranuclear `cubane'-type cobalt(II) core
• Authors of publication: Zhao, Hanhua; Bacsa, John; Kim R. Dunbar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m637 - m640
• a: 20.027 ± 0.001 Å
• b: 18.774 ± 0.001 Å
• c: 29.771 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11193.5 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes