Information card for entry 4308323

Structure parameters

• Chemical name: bis(hexafluoroacetylacetonato)-cobalt(II) dihydrate
• Formula: C10 H6 Co F12 O6
• Calculated formula: C10 H6 Co F12 O6
• SMILES: C1(=CC(C(F)(F)F)=[O][Co]2(O1)([OH2])(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)[OH2])C(F)(F)F
• Title of publication: Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers
• Authors of publication: Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 77 - 84
• a: 21.249 ± 0.0012 Å
• b: 8.0736 ± 0.0004 Å
• c: 9.668 ± 0.0005 Å
• α: 90°
• β: 95.483 ± 0.001°
• γ: 90°
• Cell volume: 1651.01 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No