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Information card for entry 4081652
Preview
Coordinates | 4081652.cif |
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Original paper (by DOI) | HTML |
Chemical name | Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466) |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081652.html
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Users of the data should acknowledge the original authors of the
structural data.