Information card for entry 7103430

Structure parameters

• Formula: C54 H50 I2 Li2 O P4 S4
• Calculated formula: C54 H50 I2 Li2 O P4 S4
• SMILES: [Li]123[S]=P(c4ccccc4)(c4ccccc4)C(I)=P(c4ccccc4)(c4ccccc4)[S]1[Li]([O](CC)CC)[S]2P(c1ccccc1)(c1ccccc1)=C(I)P(=[S]3)(c1ccccc1)c1ccccc1
• Title of publication: Formation of a stable dicarbenoid and an unsaturated C2P2S2 ring from two-electron oxidation of the [C(PPh2S)2]2- dianion.
• Authors of publication: Konu, Jari; Chivers, Tristram
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 40
• Pages of publication: 4995 - 4997
• a: 26.997 ± 0.005 Å
• b: 10.517 ± 0.002 Å
• c: 20.05 ± 0.004 Å
• α: 90°
• β: 109.28 ± 0.03°
• γ: 90°
• Cell volume: 5373.3 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No