Information card for entry 7044003

Structure parameters

• Formula: C39 H57 Eu N7 O4.5
• Calculated formula: C39 H54 Eu N7 O3
• SMILES: C1C[N]2=Cc3c(cc(cc3)N(CC)CC)O[Eu]34562[N]1(CC[N]3=Cc1c(cc(cc1)N(CC)CC)O5)CC[N]4=Cc1c(cc(cc1)N(CC)CC)O6
• Title of publication: Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties
• Authors of publication: Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.3525 ± 0.0017 Å
• b: 12.3525 ± 0.0017 Å
• c: 31.422 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4152.2 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No