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Information card for entry 4081653
Preview
Coordinates | 4081653.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 | C34 H34 Co O2 P S Si |
Calculated formula | C34 H34 Co O2 P S Si |
SMILES | [C]1(#[C]([Co]23451([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]3[cH]4[cH]2[cH]51)S(=O)(=O)c1ccccc1)[Si](C)(C)C |
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 | 10.5612 ± 0.0012 Å |
b | 17.853 ± 0.002 Å |
c | 16.0829 ± 0.0019 Å |
α | 90° |
β | 95.579 ± 0.002° |
γ | 90° |
Cell volume | 3018.1 ± 0.6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
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 | 0.0547 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0714 |
Weighted residual factors for all reflections included in the refinement | 0.0786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4081653.html
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Users of the data should acknowledge the original authors of the
structural data.