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Information card for entry 7044616
Preview
Coordinates | 7044616.cif |
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Original paper (by DOI) | HTML |
Formula | C64 H58 Dy2 N4 O12 |
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Calculated formula | C64 H58 Dy2 N4 O12 |
SMILES | c12C=[N]3c4ccccc4O[Dy]4563([O](C)c3c7c(ccc3)C=[N]3c8ccccc8O[Dy]893([O]5c1c(ccc2)[O]9C)([O]67)([O]=C(c1ccccc1)C=C(O8)c1ccccc1)[O]=CN(C)C)([O]=C(c1ccccc1)C=C(O4)c1ccccc1)[O]=CN(C)C |
Title of publication | Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes |
Authors of publication | Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
a | 11.2623 ± 0.0002 Å |
b | 15.7686 ± 0.0003 Å |
c | 15.5235 ± 0.0003 Å |
α | 90° |
β | 96.256 ± 0.002° |
γ | 90° |
Cell volume | 2740.41 ± 0.09 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0273 |
Residual factor for significantly intense reflections | 0.0212 |
Weighted residual factors for significantly intense reflections | 0.0514 |
Weighted residual factors for all reflections included in the refinement | 0.0525 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202512 (current) | 2017-11-02 | cif/ Adding structures of 7044615, 7044616, 7044617, 7044618, 7044619, 7044620 via cif-deposit CGI script. |
7044616.cif |
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Users of the data should acknowledge the original authors of the
structural data.