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Information card for entry 4060512
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Coordinates | 4060512.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in_paper_16 |
---|---|
Formula | C17 H25 Co O S4 Si |
Calculated formula | C17 H25 Co O S4 Si |
SMILES | [Co]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[Si](C)(C)C)[C]1(=O)[C]5(SC)=[C]6(SC)[C]7(=[C]81SC)SC |
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 | 7.9711 ± 0.0001 Å |
b | 14.6145 ± 0.0002 Å |
c | 17.7756 ± 0.0001 Å |
α | 90° |
β | 95.805 ± 0.001° |
γ | 90° |
Cell volume | 2060.13 ± 0.04 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0573 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/4060512.html
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Users of the data should acknowledge the original authors of the
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