Information card for entry 7039159

Structure parameters

• Formula: C55 H43 Cl2 Dy F9 N5 O6
• Calculated formula: C54 H41 Dy F9 N5 O6
• SMILES: C1(=[O][Dy]234([n]5cccc6ccc7ccc[n]2c7c56)(OC(=C1)c1c2ccccc2n(c1)CC)([O]=C(C=C(c1c2ccccc2n(c1)CC)O3)C(F)(F)F)OC(=CC(c1c2ccccc2n(c1)CC)=[O]4)C(F)(F)F)C(F)(F)F
• 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: 16.1532 ± 0.0005 Å
• b: 18.2859 ± 0.0006 Å
• c: 18.4831 ± 0.0005 Å
• α: 91.091 ± 0.002°
• β: 97.641 ± 0.003°
• γ: 101.105 ± 0.003°
• Cell volume: 5304.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No