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Information card for entry 4081652
Preview
| Coordinates | 4081652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466) |
|---|---|
| Formula | C41 H48 Co O2 P S Si |
| Calculated formula | C41 H48 Co O2 P S Si |
| SMILES | [Co]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([C](S(=O)(=O)c6ccc(cc6)C)#[C]1[Si](C(C)C)(C(C)C)C(C)C)[cH]1[cH]5[cH]4[cH]3[cH]21 |
| Title of publication | Structural Characterization of (C5H5)Co(PPh3)(η2-alkyne) and (C5H5)Co(η2-alkyne) Complexes of Highly Polarized Alkynes |
| Authors of publication | Baldridge, Kim K.; Bunker, Kevin D.; Vélez, Carmen L.; Holland, Ryan L.; Rheingold, Arnold L.; Moore, Curtis E.; O’Connor, Joseph M. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 19 |
| Pages of publication | 5473 |
| a | 10.5763 ± 0.0016 Å |
| b | 10.6836 ± 0.0016 Å |
| c | 16.64 ± 0.003 Å |
| α | 93.231 ± 0.002° |
| β | 92.647 ± 0.002° |
| γ | 92.913 ± 0.002° |
| Cell volume | 1872.5 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178705 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/16. |
4081652.cif |
| 89779 | 2013-11-10 | cif/ Adding structures of 4081651, 4081652, 4081653 via cif-deposit CGI script. |
4081652.cif |
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