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Information card for entry 1100836
Preview
| Coordinates | 1100836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | in_paper_14 |
|---|---|
| Formula | C14 H17 Co O S4 |
| Calculated formula | C14 H17 Co O S4 |
| Title of publication | CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations |
| Authors of publication | Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 9 |
| Pages of publication | 2016 - 2113 |
| a | 9.1494 ± 0.0003 Å |
| b | 12.4455 ± 0.0005 Å |
| c | 22.3392 ± 0.0008 Å |
| α | 79.022 ± 0.001° |
| β | 83.8 ± 0.001° |
| γ | 79.226 ± 0.001° |
| Cell volume | 2446.25 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1305 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4060510 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.