Information card for entry 4074658

Structure parameters

• Chemical name: [N,N'-1,3-tetrakis(1,1-dimethylethyl)- 1,3,2,4-diazaphosphetidine-2,4-diaminato(2-)-κN2,κN4] phenylmethylene(tetrahydrofuran)titanium(IV)
• Formula: C27 H50 N4 O P2 Ti
• Calculated formula: C27 H50 N4 O P2 Ti
• Title of publication: Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies
• Authors of publication: Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 463
• a: 9.737 ± 0.001 Å
• b: 11.711 ± 0.002 Å
• c: 14.758 ± 0.002 Å
• α: 89.05 ± 0.01°
• β: 70.79 ± 0.01°
• γ: 89.94 ± 0.01°
• Cell volume: 1588.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No