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Information card for entry 4061414
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Coordinates | 4061414.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | trans-(dmso)2Pt(Xyl)2 |
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Formula | C20 H30 O2 Pt S2 |
Calculated formula | C20 H30 O2 Pt S2 |
SMILES | Cc1c([Pt](c2c(cccc2C)C)([S](=O)(C)C)[S](=O)(C)C)c(ccc1)C |
Title of publication | Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation |
Authors of publication | Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Journal issue | 17 |
Pages of publication | 4125 - 4131 |
a | 9.1368 ± 0.0018 Å |
b | 9.384 ± 0.0019 Å |
c | 12.224 ± 0.002 Å |
α | 90° |
β | 97.83 ± 0.03° |
γ | 90° |
Cell volume | 1038.3 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0534 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1145 |
Weighted residual factors for all reflections included in the refinement | 0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/4061414.html
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Users of the data should acknowledge the original authors of the
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