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Information card for entry 4063471
Preview
Coordinates | 4063471.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H24 Cl F6 Mo2 P S3 |
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Calculated formula | C16 H24 Cl F6 Mo2 P S3 |
SMILES | C[S]1[Mo]2345678([cH]9[cH]5[cH]4[cH]3[cH]29)[Cl][Mo]234518([cH]1[cH]2[cH]3[cH]4[cH]51)([S]6C)S17CCCC1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+ |
Authors of publication | Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 2 |
Pages of publication | 448 - 462 |
a | 10.8501 ± 0.0008 Å |
b | 13.5873 ± 0.0015 Å |
c | 17.1418 ± 0.001 Å |
α | 68.456 ± 0.007° |
β | 89.075 ± 0.005° |
γ | 81.857 ± 0.008° |
Cell volume | 2325.1 ± 0.4 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 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 | 0.0754 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1355 |
Weighted residual factors for all reflections included in the refinement | 0.1507 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/4063471.html
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Users of the data should acknowledge the original authors of the
structural data.