Information card for entry 7044002

Structure parameters

• Formula: C39 H57 N7 O3
• Calculated formula: C39 H57 N7 O3
• SMILES: C(C/N=C/c1c(cc(cc1)N(CC)CC)O)N(CC/N=C/c1c(cc(cc1)N(CC)CC)O)CC/N=C/c1c(cc(cc1)N(CC)CC)O
• 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: 13.6115 ± 0.0019 Å
• b: 13.6115 ± 0.0019 Å
• c: 35.291 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5662.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2796
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No