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Information card for entry 1515910
Preview
Coordinates | 1515910.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H30 Cl2 N4 O4 Zn |
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Calculated formula | C12 H30 Cl2 N4 O4 Zn |
SMILES | [Zn]123(Cl)[N](CC[N]1(C)C)(CC[N]2(C)C)CC[N]3(C)C.Cl(=O)(=O)(=O)[O-] |
Title of publication | Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes |
Authors of publication | Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 9 |
Pages of publication | 3418 |
a | 9.9025 ± 0.0003 Å |
b | 9.9025 ± 0.0003 Å |
c | 33.1835 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2818.01 ± 0.16 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0373 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections included in the refinement | 0.0639 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
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/1515910.html
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Users of the data should acknowledge the original authors of the
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