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Information card for entry 4060511
Preview
Coordinates | 4060511.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in_paper_15 |
---|---|
Formula | C16 H19 Co O3 S4 |
Calculated formula | C16 H19 Co O3 S4 |
SMILES | [Co]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C(=O)OC)[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 | 16.4714 ± 0.0006 Å |
b | 8.3209 ± 0.0003 Å |
c | 15.0158 ± 0.0005 Å |
α | 90° |
β | 114.331 ± 0.001° |
γ | 90° |
Cell volume | 1875.23 ± 0.11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0566 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0613 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4060511.html
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Users of the data should acknowledge the original authors of the
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