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Information card for entry 4108147
Preview
| Coordinates | 4108147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6-ZZ |
|---|---|
| Formula | C26 H33 Co O8 S Si |
| Calculated formula | C26 H33 Co O8 S Si |
| SMILES | [CH]1(=[C]2(C([C]3(=[CH](C(=O)OC)[Co]4567123[cH]1[cH]4[cH]5[cH]6[cH]71)C(=O)OC)C(=O)OCC)[Si](C)(C)C)S(=O)(=O)c1ccccc1 |
| Title of publication | Reactions of a Metallacyclobutene Complex with Alkenes |
| Authors of publication | Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Journal issue | 31 |
| Pages of publication | 10093 - 10095 |
| a | 8.505 ± 0.0007 Å |
| b | 22.626 ± 0.0018 Å |
| c | 14.239 ± 0.0011 Å |
| α | 90° |
| β | 94.922 ± 0.001° |
| γ | 90° |
| Cell volume | 2730 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0273 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219215 (current) | 2019-10-09 | cif/4/ Updated bibliographic information in entries 4108146-4108151, 4119119. |
4108147.cif |
| 178827 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/81. |
4108147.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108147.cif |
| 56483 | 2012-05-11 | cif/ Adding structures of 4108147 via cif-deposit CGI script. |
4108147.cif |
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Users of the data should acknowledge the original authors of the
structural data.