Information card for entry 4076848

Structure parameters

• Formula: C50 H52 Cl2 N P3 Ru
• Calculated formula: C50 H52 Cl2 N P3 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)CCCC)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.5452 ± 0.0003 Å
• b: 18.7436 ± 0.0006 Å
• c: 22.5033 ± 0.0007 Å
• α: 87.473 ± 0.002°
• β: 76.456 ± 0.002°
• γ: 89.987 ± 0.002°
• Cell volume: 4319.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1273
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No