Information card for entry 4311013

Structure parameters

• Common name: [(dppen)Pd]2Cl2(OTf)2
• Formula: C54 H44 Cl2 F6 O6 P4 Pd2 S2
• Calculated formula: C54 H44 Cl2 F6 O6 P4 Pd2 S2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[P](C=C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C=C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.1915 ± 0.0009 Å
• b: 13.5486 ± 0.0015 Å
• c: 23.5 ± 0.003 Å
• α: 97.939 ± 0.013°
• β: 99.11 ± 0.013°
• γ: 95.102 ± 0.013°
• Cell volume: 2843.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No