Information card for entry 7229746

Structure parameters

• Formula: C58.5 H55 Cu Dy F30 N4 O16
• Calculated formula: C55 H47 Cu Dy F30 N4 O16
• SMILES: [Dy]123(ON4C(=N(=O)C(C)(C)C4(C)C)c4ccc(OCC)cc4)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=N1=C(N(O[Cu]23(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)C(C1(C)C)(C)C)c1ccc(OCC)cc1
• Title of publication: Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties
• Authors of publication: Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 420
• a: 21.813 ± 0.004 Å
• b: 23.683 ± 0.005 Å
• c: 28.76 ± 0.006 Å
• α: 90°
• β: 100.81 ± 0.03°
• γ: 90°
• Cell volume: 14594 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No