Information card for entry 4322078

Structure parameters

• Formula: C54 H56 Cl F6 N3 O3 P2 Ru
• Calculated formula: C54 H56 Cl F6 N3 O3 P2 Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c(cccc3C3OC[C@@H]([N]2=3)C(C)C)C2OC[C@@H]([N]1=2)C(C)C)C#C[C](c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
• 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: 14.79 ± 0.03 Å
• b: 16.254 ± 0.008 Å
• c: 22.917 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5509 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1403
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No