Information card for entry 1556607

Structure parameters

• Formula: C60 H57 Dy N3 O14 P3
• Calculated formula: C60 H57 Dy N3 O14 P3
• SMILES: [Dy]123([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(c4ccccc4)(c4ccccc4)c4ccccc4)(ON(=[O]1)=O)(ON(=[O]2)=O)ON(=[O]3)=O.O=C(C)C.O=C(C)C
• Title of publication: Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy
• Authors of publication: Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 61
• a: 11.04 ± 0.002 Å
• b: 19.136 ± 0.004 Å
• c: 27.568 ± 0.006 Å
• α: 90°
• β: 94.95 ± 0.03°
• γ: 90°
• Cell volume: 5802 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No