Information card for entry 7715994

Structure parameters

• Formula: C30 H22 Ce F9 O8
• Calculated formula: C30 H22 Ce F9 O8
• SMILES: [Ce]123(OC(=CC(C(F)(F)F)=[O]1)c1ccccc1)([O]=C(C(F)(F)F)C=C(O3)c1ccccc1)([O]=C(C(F)(F)F)C=C(O2)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: 10.8548 ± 0.0016 Å
• b: 13.219 ± 0.002 Å
• c: 23.317 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3345.7 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No