Information card for entry 4076849

Structure parameters

• Formula: C55 H54 Cl6 N P3 Ru
• Calculated formula: C55 H54 Cl6 N P3 Ru
• SMILES: [Ru]12(Cl)([P](CC[N]1(CC[P]2(c1ccccc1)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.C(Cl)Cl
• 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: 14.1873 ± 0.001 Å
• b: 14.5637 ± 0.0006 Å
• c: 25.5349 ± 0.0015 Å
• α: 90°
• β: 106.374 ± 0.004°
• γ: 90°
• Cell volume: 5062 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1529
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No