Information card for entry 4067437

Structure parameters

• Formula: C28 H31 Cl5 N P Pd Ru
• Calculated formula: C28 H31 Cl5 N P Pd Ru
• SMILES: [Pd]12(C([P]([Ru]34567(Cl)([Cl]1)[cH]1[cH]3[cH]4[cH]5[cH]6[cH]71)(C#CC)c1ccccc1)=C(C)c1ccccc1C[N]2(C)C)Cl.ClCCl
• 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: 15.5945 ± 0.0006 Å
• b: 12.6641 ± 0.0005 Å
• c: 15.7896 ± 0.0006 Å
• α: 90°
• β: 102.418 ± 0.002°
• γ: 90°
• Cell volume: 3045.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No