Information card for entry 7715995

Structure parameters

• Formula: C30 H22 Ce F9 O8
• Calculated formula: C30 H22 Ce F9 O8
• SMILES: [Ce]123([O]=C(C(F)(F)F)C=C(O1)c1ccccc1)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)([O]=C(C(F)(F)F)C=C(O3)c1ccccc1)([OH2])[OH2]
• Title of publication: New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.
• Authors of publication: Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9387 - 9405
• a: 10.8091 ± 0.0003 Å
• b: 14.0772 ± 0.0005 Å
• c: 21.079 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3207.42 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No