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Information card for entry 4317809
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4317809.cif |
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Original paper (by DOI) | HTML |
Common name | [Cu(acacen)Gd(hfa)3] |
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Chemical name | [N,N'-ethylenebis(acetylacetoniminato)copper(II)]tris(1,1,1,5,5,5-hex afluoropentane-2,4-dionato)gadolinium(III) |
Formula | C27 H21 Cu F18 Gd N2 O8 |
Calculated formula | C27 H21 Cu F18 Gd N2 O8 |
SMILES | [Gd]1234(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[O]1[Cu]23[O]4C(C)=CC(=[N]3CC[N]2=C(C=C1C)C)C |
Title of publication | Magnetically Isolated CuIIGdIII Pairs in the Series [Cu(acacen)Gd(pta)3], [Cu(acacen)Gd(hfa)3], [Cu(salen)Gd(pta)3], and [Cu(salen)Gd(hfa)3], [acacen =N,N'-Ethylenebis(acetylacetoniminate(-)), salen =N,N'-Ethylenebis(salicylideniminate(-)), hfa = 1,1,1,5,5,5-Hexafluoropentane-2,4-dionate(-), pta = 1,1,1-Trifluoro-5,5-dimethylhexane-2,4-dionate(-)] |
Authors of publication | M. Ryazanov; V. Nikiforov; F. Lloret; M. Julve; N. Kuzmina; A. Gleizes |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 1816 - 1823 |
a | 12.5726 ± 0.0015 Å |
b | 15.5985 ± 0.0018 Å |
c | 18.372 ± 0.002 Å |
α | 85.963 ± 0.013° |
β | 85.411 ± 0.014° |
γ | 80.766 ± 0.014° |
Cell volume | 3538.8 ± 0.7 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317809.html
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