Information card for entry 4089344

Structure parameters

• Common name: [RuTp(kappa^2^(C,P)=C(CH=CPh~2~)N(Pr^n^)PPh~2~) (kappa^1^(P)-PPh~2~NHPr^n^)]CF~3~SO3 (17)
• Formula: C55 H56 B F3 N8 O3 P2 Ru S
• Calculated formula: C54.9867 H56 B F2.9601 N8 O2.9601 P2 Ru S0.9867
• Title of publication: Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes
• Authors of publication: Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3561
• a: 12.3228 ± 0.0005 Å
• b: 13.839 ± 0.0005 Å
• c: 17.7616 ± 0.0007 Å
• α: 79.91 ± 0.001°
• β: 83.886 ± 0.001°
• γ: 63.82 ± 0.001°
• Cell volume: 2674.74 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No