Information card for entry 4065463

Structure parameters

• Formula: C46 H37 N P2 Ru
• Calculated formula: C46 H37 N P2 Ru
• SMILES: [Ru]1234([P](c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([N]#Cc5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451
• Title of publication: Benzonitrile Adducts of Terminal Diarylphosphido Complexes: Preparative Sources of “Ru═PR2”
• Authors of publication: Hoyle, Marc-André M.; Pantazis, Dimitrios A.; Burton, Hannah M.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 23
• Pages of publication: 6458
• a: 19.9629 ± 0.0006 Å
• b: 19.0706 ± 0.0006 Å
• c: 19.6393 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7476.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No