Information card for entry 4089339

Structure parameters

• Common name: [RuCp(=C(CH~2~Bu^n^)NHPPh~2~)(kappa^2^(P,P)-PPh~2~OPPh~2~)]CF~3~SO~3~ (9)
• Formula: C42 H42 F3 N O4 P2 Ru S
• Calculated formula: C42 H42 F3 N O4 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: 11.6571 ± 0.0007 Å
• b: 12.9967 ± 0.0008 Å
• c: 15.1889 ± 0.0009 Å
• α: 77.718 ± 0.001°
• β: 68.636 ± 0.001°
• γ: 71.892 ± 0.001°
• Cell volume: 2024 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No