Information card for entry 2007795

Structure parameters

• Chemical name: bis(tripenylphosphino)-2,2-dicyano-1,1-ethylenedithiolate palladium(II)
• Formula: C44 H36 N4 P2 Pd S2
• Calculated formula: C44 H30 N4 P2 Pd S2
• SMILES: [Pd]1(S\C(=C(C#N)/C#N)S1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C.C(C)#N
• Title of publication: (1,1-Dimercaptoethene-2,2-dicarbonitrilato-<i>S</i>,<i>S</i>')bis(triphenylphosphine)palladium(II) Diacetonitrile Solvate
• Authors of publication: Bao, Mutai; Cao, Rong; Su, Weiping; Hong, Maochun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1622 - 1624
• a: 13.957 ± 0.003 Å
• b: 13.877 ± 0.003 Å
• c: 21.831 ± 0.004 Å
• α: 90°
• β: 102.9 ± 0.03°
• γ: 90°
• Cell volume: 4121.5 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.162
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No