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Information card for entry 4104826
Preview
Coordinates | 4104826.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H58 Co N4 S2 |
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Calculated formula | C30 H58 Co N4 S2 |
SMILES | [Co](SC(C)(C)C)(SC(C)(C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(C)C)C(=C(N1C(C)C)C)C |
Title of publication | Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States |
Authors of publication | Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 11213 - 11221 |
a | 9.8899 ± 0.0009 Å |
b | 10.3026 ± 0.001 Å |
c | 10.4367 ± 0.001 Å |
α | 106.082 ± 0.002° |
β | 99.487 ± 0.002° |
γ | 117.495 ± 0.002° |
Cell volume | 851.26 ± 0.14 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0914 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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