Information card for entry 2223922

Structure parameters

• Chemical name: Bis[μ-pentane-2,4-dionato(1-)]bis{aqua[1,1,1,5,5,5-hexafluoropentane- 2,4-dionato(1-)]cobalt(II)}
• Formula: C20 H20 Co2 F12 O10
• Calculated formula: C20 H20 Co2 F12 O10
• SMILES: C(C1=CC(C(F)(F)F)=[O][Co]23(O1)([O]=C(C=C([O]2[Co]12(OC(=CC(C(F)(F)F)=[O]1)C(F)(F)F)([O]=C(C=C([O]32)C)C)[OH2])C)C)[OH2])(F)(F)F
• Title of publication: Bis[μ-pentane-2,4-dionato(1{-})]bis{aqua[1,1,1,5,5,5-hexafluoropentane-2,4-dionato(1{-})]cobalt(II)}
• Authors of publication: Hunter, Gerald O.; Zeller, Matthias; Leskiw, Brian D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1476
• a: 7.563 ± 0.003 Å
• b: 9.541 ± 0.004 Å
• c: 9.716 ± 0.004 Å
• α: 94.865 ± 0.006°
• β: 92.792 ± 0.006°
• γ: 93.622 ± 0.006°
• Cell volume: 696.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes