Information card for entry 4068804

Structure parameters

• Formula: C45.75 H56 Cl2 F3 N2 Ni O3 P2 S Ti
• Calculated formula: C45.75 H53 Cl2 F3 N2 Ni O3 P2 S Ti
• 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: 20.222 ± 0.007 Å
• b: 15.556 ± 0.005 Å
• c: 15.826 ± 0.005 Å
• α: 90°
• β: 102.066 ± 0.006°
• γ: 90°
• Cell volume: 4868 ± 3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No