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Information card for entry 4104831
Preview
Coordinates | 4104831.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H126 Co8 P6 S8 |
---|---|
Calculated formula | C54 H126 Co8 P6 S8 |
SMILES | C(C)(C)[P](C(C)C)(C(C)C)[Co]12345S67[Co]89%10%112[S]1[Co]125([P](C(C)C)(C(C)C)C(C)C)[S]3[Co]3462([P](C(C)C)(C(C)C)C(C)C)[S]1[Co]127%113S38[Co]4562([P](C(C)C)(C(C)C)C(C)C)[S]2[Co]7%1035([P](C(C)C)(C(C)C)C(C)C)[S]9[Co]627([P](C(C)C)(C(C)C)C(C)C)[S]14 |
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 | 12.3518 ± 0.0006 Å |
b | 12.4877 ± 0.0006 Å |
c | 13.9495 ± 0.0007 Å |
α | 73.96 ± 0.001° |
β | 84.74 ± 0.001° |
γ | 64.229 ± 0.001° |
Cell volume | 1861.2 ± 0.16 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0893 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4104831.html
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Users of the data should acknowledge the original authors of the
structural data.