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Information card for entry 7120069
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Coordinates | 7120069.cif |
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Original paper (by DOI) | HTML |
Chemical name | bis((u2-chloro)-(eta8-cyclooctatetraenyl)-bis(tetrahydrofuran)-erbium) |
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Formula | C24 H32 Cl2 Er2 O2 |
Calculated formula | C24 H32 Cl2 Er2 O2 |
SMILES | [CH]12=[CH]3[CH]4=[CH]5[CH]6=[CH]7[CH]8=[CH]1[Er]12345678([O]2CCCC2)[Cl][Er]2345678([CH]9=[CH]2[CH]3=[CH]4[CH]5=[CH]6[CH]7=[CH]89)([O]2CCCC2)[Cl]1 |
Title of publication | Ferromagnetic coupling in a chloride-bridged erbium single-molecule magnet |
Authors of publication | Hilgar, Jeremy; Flores, Brandon S.; Rinehart, Jeffrey D. |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 9.3424 ± 0.0006 Å |
b | 11.0134 ± 0.0007 Å |
c | 12.4684 ± 0.0007 Å |
α | 90° |
β | 111.126 ± 0.003° |
γ | 90° |
Cell volume | 1196.67 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0343 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0837 |
Weighted residual factors for all reflections included in the refinement | 0.0852 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7120069.html
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