Information card for entry 4089342

Structure parameters

• Common name: [RuTp(kappa^2^(C,P)=C(CH~2~Ph)N(Ph)PPh~2~) (kappa^1^(P)-PPh~2~NHPh)]SbF~6~.2C~6~H~5~F (14a.2C~6~H~5~F)
• Formula: C65 H58 B F8 N8 P2 Ru Sb
• Calculated formula: C65 H58 B F8 N8 P2 Ru Sb
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)N(c4ccccc4)C=3Cc3ccccc3)([P](c3ccccc3)(c3ccccc3)Nc3ccccc3)[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3.[Sb](F)(F)(F)(F)([F-])F.Fc1ccccc1.Fc1ccccc1
• 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: 11.403 ± 0.002 Å
• b: 17.341 ± 0.004 Å
• c: 31.492 ± 0.007 Å
• α: 90°
• β: 96.726 ± 0.007°
• γ: 90°
• Cell volume: 6184 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 8
• 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: 0.2321
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No