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Information card for entry 4345036
Preview
Coordinates | 4345036.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H39 Cl Co N2 O4 S4 |
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Calculated formula | C19 H39 Cl Co N2 O4 S4 |
SMILES | C1C[S](C(C)(C)C)[Co]23([N]1(CC[S]2C(C)(C)C)CC[S]3C(C)(C)C)N=C=S.[O-]Cl(=O)(=O)=O |
Title of publication | Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets. |
Authors of publication | Shao, Feng; Cahier, Benjamin; Rivière, Eric; Guillot, Régis; Guihéry, Nathalie; Campbell, Victoria E.; Mallah, Talal |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 3 |
Pages of publication | 1104 - 1111 |
a | 14.1508 ± 0.0005 Å |
b | 14.1508 ± 0.0005 Å |
c | 14.1508 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2833.63 ± 0.17 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 7 |
Space group number | 198 |
Hermann-Mauguin space group symbol | P 21 3 |
Hall space group symbol | P 2ac 2ab 3 |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1176 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/4345036.html
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Users of the data should acknowledge the original authors of the
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