Information card for entry 4089341

Structure parameters

• Common name: [CpRu(PPh~2~NHPh)~2~(=C=C=CPh~2~)]CF~3~SO~3~.CH~2~Cl~2~ (11.CH~2~Cl~2~)
• Formula: C58 H49 Cl2 F3 N2 O3 P2 Ru S
• Calculated formula: C57.73 H48.46 Cl1.993 F3 N2 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: 13.28 ± 0.002 Å
• b: 12.787 ± 0.002 Å
• c: 31.996 ± 0.005 Å
• α: 90°
• β: 100.455 ± 0.003°
• γ: 90°
• Cell volume: 5343.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No