Information card for entry 4067863

Structure parameters

• Formula: C19 H24 Cl2 N4 O Ru
• Calculated formula: C19 H24 Cl2 N4 O Ru
• SMILES: [Ru]12(Cl)(Cl)([O](CCN3C=1N(C=C3)C)CCN1C=CN(C)C=21)=Cc1ccccc1
• 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: 7.8822 ± 0.0006 Å
• b: 9.7102 ± 0.0008 Å
• c: 13.6698 ± 0.0011 Å
• α: 89.616 ± 0.005°
• β: 82.415 ± 0.005°
• γ: 76.296 ± 0.005°
• Cell volume: 1007.25 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No