Information card for entry 7046822

Structure parameters

• Formula: C39 H55 Cl N2 P2 Ti
• Calculated formula: C39 H55 Cl N2 P2 Ti
• Title of publication: Reactions of (Ph)tBuP-P(SiMe₃)Li·3THF with [(PNP)TiCl₂] and [^MeNacNacTiCl₂·THF]: synthesis of first PNP titanium(iv) complex with the phosphanylphosphinidene ligand [(PNP)Ti(Cl){η²-P-P(Ph)tBu}].
• Authors of publication: Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Wiśniewska, Aleksandra; Pikies, Jerzy; Ponikiewski, Łukasz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9733 - 9741
• a: 17.6073 ± 0.0005 Å
• b: 16.8138 ± 0.0005 Å
• c: 13.4071 ± 0.0008 Å
• α: 90°
• β: 104.874 ± 0.003°
• γ: 90°
• Cell volume: 3836.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No