Information card for entry 4089340

Structure parameters

• Common name: [RuCp(=C(CH~2~Ph)NHPh)(PPh~2~NHPh)(kappa^1^(P)-PPh~2~O)] (10a)
• Formula: C49 H44 N2 O P2 Ru
• Calculated formula: C49 H44 N2 O P2 Ru
• SMILES: [Ru]1234([P](Nc5ccccc5)(c5ccccc5)c5ccccc5)(P(=O)(c5ccccc5)c5ccccc5)([cH]5[cH]4[cH]3[cH]2[cH]15)=C(Nc1ccccc1)Cc1ccccc1
• 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: 19.82 ± 0.04 Å
• b: 8.626 ± 0.015 Å
• c: 23.59 ± 0.04 Å
• α: 90°
• β: 100.61 ± 0.05°
• γ: 90°
• Cell volume: 3964 ± 13 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.2121
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No