Information card for entry 7013188

Structure parameters

• Formula: C3 H4.5 K N0.5 O S2
• Calculated formula: C3 H4.5 K N0.5 O S2
• SMILES: [K+].[S-]C(=S)OC.N#CC
• Title of publication: Novel palladium and platinum carbene-complexes containing dithiocarbonate ligand [M(PPh3){?2(S,S)-S2CO]{C(SR)(NMe2)}] formed via alkyl migration of O-alkyldithiocarbonate to thiocarbamoyl ligandElectronic supplementary information (ESI) available: 1H and 13C{1H} NMR spectra of 3 and the 1H NMR spectrum of the mixtures of 4 and 5. See http://www.rsc.org/suppdata/dt/b3/b305374a/
• Authors of publication: Yih, Kuang-Hway; Lee, Gene-Hsiang; Wang, Yu
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2810
• a: 9.9176 ± 0.0007 Å
• b: 10.3027 ± 0.0008 Å
• c: 14.353 ± 0.0011 Å
• α: 90°
• β: 99.66 ± 0.002°
• γ: 90°
• Cell volume: 1445.77 ± 0.19 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0349
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No