Information card for entry 7038193

Structure parameters

• Formula: C52 H59 Cl7 F6 N2 O P2 Ru
• Calculated formula: C52 H59 Cl7 F6 N2 O P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Cationic ruthenium alkylidene catalysts bearing phosphine ligands.
• Authors of publication: Endo, Koji; Grubbs, Robert H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3627 - 3634
• a: 10.1739 ± 0.0004 Å
• b: 23.3587 ± 0.001 Å
• c: 23.0472 ± 0.0009 Å
• α: 90°
• β: 94.069 ± 0.002°
• γ: 90°
• Cell volume: 5463.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No