Information card for entry 4340852

Structure parameters

• Formula: C33 H22 Dy F9 O8
• Calculated formula: C33 H22 Dy F9 O8
• SMILES: C12=[O][Dy]34(OC(=C1Cc1ccccc21)C(F)(F)F)(OC1=C(Cc2c1cccc2)C(C(F)(F)F)=[O]3)([O]=C1c2ccccc2CC1=C(C(F)(F)F)O4)([OH2])[OH2]
• Title of publication: Local Coordination Geometry Perturbed β-Diketone Dysprosium Single-Ion Magnets.
• Authors of publication: Zhu, Jing; Wang, Changzheng; Luan, Fang; Liu, Tianqi; Yan, Pengfei; Li, Guangming
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8895 - 8901
• a: 24.059 ± 0.005 Å
• b: 14.993 ± 0.003 Å
• c: 18.366 ± 0.004 Å
• α: 90°
• β: 92.54 ± 0.03°
• γ: 90°
• Cell volume: 6618 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No