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Information card for entry 7044002
Preview
Coordinates | 7044002.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H57 N7 O3 |
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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 Å3 |
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 |
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