Information card for entry 7039158

Structure parameters

• Formula: C54 H44 Dy F9 N6 O6
• Calculated formula: C54 H44 Dy F9 N6 O6
• SMILES: [Dy]1234([O]=C(C=C(O1)c1cn(c5c1cccc5)CC)C(F)(F)F)(OC(=CC(=[O]2)c1cn(c2c1cccc2)CC)C(F)(F)F)(OC(=CC(=[O]3)c1cn(c2ccccc12)CC)C(F)(F)F)[n]1ccccc1c1[n]4cccc1.CC#N
• Title of publication: Auxiliary ligand field dominated single-molecule magnets of a series of indole-derivative β-diketone mononuclear Dy(iii) complexes.
• Authors of publication: Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Yao, Xu; Hou, Guangfeng; Li, Guangming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9148 - 9157
• a: 12.272 ± 0.005 Å
• b: 12.514 ± 0.005 Å
• c: 19.66 ± 0.005 Å
• α: 76.876 ± 0.005°
• β: 73.269 ± 0.005°
• γ: 67.578 ± 0.005°
• Cell volume: 2649.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No