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Information card for entry 7103532
Preview
Coordinates | 7103532.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H30 F12 N2 P2 Pt S6 |
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Calculated formula | C16 H30 F12 N2 P2 Pt S6 |
SMILES | [Pt]12([S]3CCSCC[S]1CC3)[S]1CCSCC[S]2CC1.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.CC#N.CC#N |
Title of publication | The structural characterisation and elucidation of the electronic structure of the mononuclear Pt(iii) complex [Pt([9]aneS(3))(2)](3+) ([9]aneS(3) = 1,4,7-trithiacyclononane). |
Authors of publication | Stephen, Emma; Blake, Alexander J; Davies, E Stephen; McMaster, Jonathan; Schröder, Martin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 44 |
Pages of publication | 5707 - 5709 |
a | 11.9244 ± 0.0008 Å |
b | 21.6165 ± 0.0014 Å |
c | 11.3781 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2932.9 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0343 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0617 |
Weighted residual factors for all reflections included in the refinement | 0.0651 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7103532.html
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