Information card for entry 7226114

Structure parameters

• Formula: C49 H42 Cl8 N2 O2 P2 Pd2 S2
• Calculated formula: C49 H42 Cl8 N2 O2 P2 Pd2 S2
• SMILES: [Pd]12([C@@H](C(=O)c3cccc[n]13)[C@H](c1cccc(c1)[C@H]1[C@H]3[Pd](Cl)([n]4c(C3=O)cccc4)[S]=P1(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)=[S]2)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Efficient and Stereo-selective Synthesis of Monomeric and Bi-metallic Pincer Complexes Containing Pd-bonded Stereogenic Carbons
• Authors of publication: Tay, Wee Shan; Yang, Xiangyuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.4797 ± 0.0008 Å
• b: 28.175 ± 0.002 Å
• c: 10.1153 ± 0.0009 Å
• α: 90°
• β: 104.963 ± 0.0015°
• γ: 90°
• Cell volume: 2610.1 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No