Information card for entry 4311011

Structure parameters

• Common name: DM-TTF-(PPh2)2PdCl2, 2CHCl3
• Formula: C34 H28 Cl8 P2 Pd S4
• Calculated formula: C34 H28 Cl8 P2 Pd S4
• SMILES: [Pd]1(Cl)(Cl)[P](C2=C([P]1(c1ccccc1)c1ccccc1)SC(S2)=C1SC(=C(S1)C)C)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Unexpected Reactivity of PdCl2 and PtCl2 Complexes of the Unsaturated Diphosphineo-Me2TTF(PPh2)2 toward Chloride Abstraction with Thallium Triflate
• Authors of publication: Thomas Devic; Patrick Batail; Marc Fourmigué; Narcis Avarvari
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3136 - 3141
• a: 17.0352 ± 0.0013 Å
• b: 15.7744 ± 0.0011 Å
• c: 17.8266 ± 0.0014 Å
• α: 90°
• β: 118.152 ± 0.008°
• γ: 90°
• Cell volume: 4223.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1328
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2695
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No