Information card for entry 4076851

Structure parameters

• Formula: C42 H44 Cl2 N2 P2 Ru
• Calculated formula: C42 H43 Cl2 N2 P2 Ru
• SMILES: [Ru]12(Cl)([P](CCN1Cc1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[P](c1ccccc1)(c1ccccc1)CC[NH]2Cc1ccccc1
• Title of publication: Coordination Chemistry and Catalytic Activity of Ruthenium Complexes of Terdentate Phosphorus−Nitrogen−Phosphorus (PNP) and Bidentate Phosphorus−Nitrogen (PNH) Ligands
• Authors of publication: Rahman, Mohammed S.; Prince, Paul D.; Steed, Jonathan W.; Hii, King Kuok (Mimi)
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 4927
• a: 10.9686 ± 0.0006 Å
• b: 12.1947 ± 0.0008 Å
• c: 16.7431 ± 0.0011 Å
• α: 97.173 ± 0.004°
• β: 107.402 ± 0.004°
• γ: 110.999 ± 0.004°
• Cell volume: 1926.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No