Information card for entry 4322077

Structure parameters

• Formula: C36 H39 Cl5 N3 O2 P Ru
• Calculated formula: C36 H39 Cl5 N3 O2 P Ru
• SMILES: [Ru]12(Cl)(Cl)([n]3c(cccc3C3OC[C@@H]([N]1=3)C(C)C)C1OC[C@@H]([N]2=1)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Stereochemically Controlled Synthesis of Ruthenium(II) Complexes Containing Bis(oxazolin-2'-yl)pyridine Ligands. X-ray Crystal Structures of trans-[RuCl2(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}] and [RuCl(CCCPh2)(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}][PF6] ((S,S)-iPr-pybox= 2,6-Bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)
• Authors of publication: Victorio Cadierno; M. Pilar Gamasa; José Gimeno; Luis Iglesias; Santiago García-Granda
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2874 - 2879
• a: 12.772 ± 0.006 Å
• b: 15.208 ± 0.005 Å
• c: 19.601 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3807 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No