Information card for entry 4089343

Structure parameters

• Common name: [RuTp(kappa^2^(C,P)=C(CH~2~C~6~H~4~Me)N(Pr^n^)PPh~2~) (kappa^1^(P)-PPh~2~NHPr^n^)]CF~3~SO~3~.CH~2~Cl~2~ (15b.CH~2~Cl~2~)
• Formula: C50 H56 B Cl2 F3 N8 O3 P2 Ru S
• Calculated formula: C50 H56 B Cl2 F3 N8 O3 P2 Ru S
• 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: 12.8141 ± 0.0005 Å
• b: 13.9087 ± 0.0006 Å
• c: 18.1289 ± 0.0007 Å
• α: 86.685 ± 0.001°
• β: 69.964 ± 0.001°
• γ: 62.774 ± 0.001°
• Cell volume: 2680.22 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No