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Information card for entry 4078308
Preview
Coordinates | 4078308.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H86 O8 P4 Pt2 S4 |
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Calculated formula | C58 H86 O8 P4 Pt2 S4 |
SMILES | c12ccccc1c1ccccc1S2(=O)=O.O=S1(=O)[Pt]2([P](CC[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)S(=O)(=O)[Pt]21[P](CC[P]2(C(C)C)C(C)C)(C(C)C)C(C)C.c1ccccc1.c12ccccc1c1ccccc1S2(=O)=O |
Title of publication | Mechanistic Insights into the C‒S Bond Breaking in Dibenzothiophene Sulfones |
Authors of publication | Oviedo, Alberto; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 10 |
Pages of publication | 4039 |
a | 11.1087 ± 0.0001 Å |
b | 16.7375 ± 0.0002 Å |
c | 17.0714 ± 0.0002 Å |
α | 90° |
β | 93.139 ± 0.001° |
γ | 90° |
Cell volume | 3169.35 ± 0.06 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0249 |
Residual factor for significantly intense reflections | 0.018 |
Weighted residual factors for significantly intense reflections | 0.0369 |
Weighted residual factors for all reflections included in the refinement | 0.0378 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
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/4078308.html
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Users of the data should acknowledge the original authors of the
structural data.