Information card for entry 4067864

Structure parameters

• Formula: C74 H48 B2 Cl4 F30 N8 O2 Ru2
• Calculated formula: C74 H48 B2 Cl4 F30 N8 O2 Ru2
• SMILES: CN1C2N(C=C1)CC[O]1CCN3C(N(C=C3)C)=[Ru]3=21(=Cc1ccccc1)[Cl][Ru]12(=C4N(C)C=CN4CC[O]2CCN2C=1N(C=C2)C)(=Cc1ccccc1)[Cl]3.c1(c(c(F)c([B](c2c(c(F)c(c(c2F)F)F)F)(Cl)c2c(c(c(c(c2F)F)F)F)F)c(c1F)F)F)F.[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)Cl
• Title of publication: Neutral and Cationic Tridentate Bis(N-heterocyclic carbene) Ether Ruthenium Alkylidene Complexes in Metathesis
• Authors of publication: Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 580
• a: 10.8202 ± 0.001 Å
• b: 13.4675 ± 0.0012 Å
• c: 25.998 ± 0.002 Å
• α: 90°
• β: 96.299 ± 0.004°
• γ: 90°
• Cell volume: 3765.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No