Information card for entry 4324774

Structure parameters

• Chemical name: 1,2-Bis(4-methoxyphenyl)ethene-1,2-dithiolato(1,2-bis( diphenylphosphino)benzene)palladium(II) 1,2-dicloroethane solvate
• Formula: C50 H46 Cl4 O2 P2 Pd S2
• Calculated formula: C50 H46 Cl4 O2 P2 Pd S2
• SMILES: [Pd]12(SC(=C(S1)c1ccc(OC)cc1)c1ccc(OC)cc1)[P](c1c([P]2(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1.C(CCl)Cl.C(CCl)Cl
• Title of publication: Long-Range Spin Coupling: A Tetraphosphine-Bridged Palladium Dimer
• Authors of publication: Kuppuswamy Arumugam; Mohammed C. Shaw; Joel T. Mague; Eckhard Bill; Stephen Sproules; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2995 - 3002
• a: 11.8736 ± 0.0009 Å
• b: 13.3035 ± 0.001 Å
• c: 16.235 ± 0.0012 Å
• α: 96.101 ± 0.001°
• β: 90.613 ± 0.001°
• γ: 112.865 ± 0.001°
• Cell volume: 2345.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No