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Information card for entry 7044213
Preview
Coordinates | 7044213.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H44 B4 Cl6 Dy2 N24 O4 |
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Calculated formula | C44 H44 B4 Cl6 Dy2 N24 O4 |
SMILES | [BH]12n3ccc[n]3[Dy]345([n]6cccn16)([n]1cccn21)([n]1n([BH](n2ccc[n]32)n2ccc[n]42)ccc1)Oc1c(c2O[Dy]3467([n]8cccn8[BH](n8ccc[n]38)n3ccc[n]43)([n]3n([BH](n4ccc[n]64)n4ccc[n]74)ccc3)Oc2c(c1O5)Cl)Cl.C(Cl)Cl.C(Cl)Cl |
Title of publication | Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes |
Authors of publication | Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 13.934 ± 0.003 Å |
b | 15.037 ± 0.003 Å |
c | 14.836 ± 0.003 Å |
α | 90° |
β | 107.72 ± 0.03° |
γ | 90° |
Cell volume | 2961 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0473 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.7108 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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