Information card for entry 1545015

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ<i>O</i>^2^,κ<i>O</i>^4^)cobalt(II) dihydrate
• Formula: C10 H10 Co F12 O8
• Calculated formula: C10 H10 Co F12 O8
• SMILES: [Co]12(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([OH2])[OH2].O.O
• Title of publication: <i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate
• Authors of publication: Tominaga, Takumi; Mochida, Tomoyuki
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x170002
• a: 11.139 ± 0.007 Å
• b: 6.979 ± 0.004 Å
• c: 12.546 ± 0.008 Å
• α: 90°
• β: 102.221 ± 0.007°
• γ: 90°
• Cell volume: 953.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes