Information card for entry 7711750

Structure parameters

• Formula: C50 H38 N4 P2 Pd2 S2
• Calculated formula: C50 H38 N4 P2 Pd2 S2
• SMILES: [Pd]12([N]#CN3[Pd]([N]#CN2c2c(S1)cccc2)(Sc1c3cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes
• Authors of publication: Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.387 ± 0.003 Å
• b: 15.923 ± 0.006 Å
• c: 16.389 ± 0.006 Å
• α: 60.702 ± 0.005°
• β: 78.798 ± 0.006°
• γ: 89.205 ± 0.006°
• Cell volume: 2086.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No