Information card for entry 4067440

Structure parameters

• Formula: C27 H30 Cl2 N O P Pd Ru
• Calculated formula: C27 H30 Cl2 N O P Pd Ru
• SMILES: [Pd]12(C(=C(C)c3ccccc3C[N]2(C)C)[P]2([Ru]34567([cH]8[cH]3[cH]4[cH]5[cH]6[cH]78)(Cl)[O]=C(C)C12)c1ccccc1)Cl
• Title of publication: Syntheses of Bimetallic Zwitterionic Complexes Containing Stereogenic Bifunctionalized Phosphine through Stepwise Insertion and Hydration Reactions
• Authors of publication: Luo, Ding; Li, Yongxin; Pullarkat, Sumod A.; Cockle, Kirsty E.; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 893
• a: 13.8455 ± 0.0006 Å
• b: 9.4914 ± 0.0004 Å
• c: 21.3557 ± 0.0008 Å
• α: 90°
• β: 105.924 ± 0.002°
• γ: 90°
• Cell volume: 2698.73 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No