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Information card for entry 7025731
Preview
Coordinates | 7025731.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H44 Co6 O15 P4 |
---|---|
Calculated formula | C69 H44 Co6 O15 P4 |
SMILES | [Co]123([Co]4([Co]1(C#[O])(C#[O])(C#[O])C34C#CC(=O)C13[Co]45([Co]1([Co]34(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
Title of publication | Conversion of C[triple bond]C to CO in alkynyl-metal complexes: oxidation of carbon chains capped by carbon-tricobalt clusters. |
Authors of publication | Bruce, Michael I.; Humphrey, Paul A.; Zaitseva, Natasha N.; Nicholson, Brian K.; Skelton, Brian W.; White, Allan H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 37 |
Pages of publication | 8801 - 8811 |
a | 12.9662 ± 0.0006 Å |
b | 14.5377 ± 0.0007 Å |
c | 19.1896 ± 0.0009 Å |
α | 111.3 ± 0.004° |
β | 98.819 ± 0.004° |
γ | 100.393 ± 0.004° |
Cell volume | 3218.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0907 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
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/7025731.html
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Users of the data should acknowledge the original authors of the
structural data.