Information card for entry 7711752

Structure parameters

• Formula: C35 H32 N2 P2 Pd S
• Calculated formula: C35 H32 N2 P2 Pd S
• SMILES: c12c(ccc(c1)C)N([Pd]1([P](c3ccccc3)(c3ccccc3)CCC[P]1(c1ccccc1)c1ccccc1)S2)C#N
• 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: 14.2842 ± 0.0016 Å
• b: 14.4067 ± 0.0008 Å
• c: 15.4064 ± 0.0012 Å
• α: 90°
• β: 102.516 ± 0.008°
• γ: 90°
• Cell volume: 3095.1 ± 0.5 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No