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Information card for entry 4079434
Preview
Coordinates | 4079434.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H44 B Cl2 F4 Mo2 P S |
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Calculated formula | C36 H44 B Cl2 F4 Mo2 P S |
SMILES | [Mo]1234567([Mo]89%10%11([P]1(C1CCCCC1)C1CCCCC1)([S]2c1ccccc1)(=[C]=3c1ccccc1)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]7[cH]6[cH]5[cH]41.[B](F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Reversible P‒C Coupling Reactions at the Unsaturated Dimolybdenum Carbyne Complex [Mo2(η5-C5H5)2(CPh)(μ-PCy2)(μ-SPh)(CO)]+ |
Authors of publication | Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 20 |
Pages of publication | 7181 |
a | 10.22 ± 0.0018 Å |
b | 11.454 ± 0.002 Å |
c | 16.325 ± 0.003 Å |
α | 96.948 ± 0.002° |
β | 92.494 ± 0.002° |
γ | 108.046 ± 0.003° |
Cell volume | 1797 ± 0.6 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0851 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1379 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation probe | x-ray |
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/4079434.html
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Users of the data should acknowledge the original authors of the
structural data.