Information card for entry 4068805

Structure parameters

• Formula: C38 H47 Cl4 F3 N2 O3 P2 Pd S Ti
• Calculated formula: C38 H45 Cl4 F3 N2 O3 P2 Pd S Ti
• SMILES: [Pd]1234([Ti](Cl)(Cl)(N(C(C)(C)C)[P]1(c1ccccc1)c1ccccc1)N(C(C)(C)C)[P]2(c1ccccc1)c1ccccc1)[CH2]=[C]3(C4)C.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Nickel(II), Palladium(II), and Platinum(II) η3-Allyl Complexes Bearing a Bidentate Titanium(IV) Phosphinoamide Ligand: A Ti←M2Dative Bond Enhances the Electrophilicity of the π-Allyl Moiety
• Authors of publication: Tsutsumi, Hironori; Sunada, Yusuke; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 1988
• a: 11.1976 ± 0.0013 Å
• b: 18.604 ± 0.002 Å
• c: 21.654 ± 0.002 Å
• α: 90°
• β: 101.67 ± 0.0017°
• γ: 90°
• Cell volume: 4417.7 ± 0.8 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No