Information card for entry 4066072

Structure parameters

• Common name: (NHCewg)(NHC)RuCl2(CH-indenylidene)
• Formula: C45 H50 Cl4 N4 Ru
• Calculated formula: C45 H50 Cl4 N4 Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=C1N(C(Cl)=C(Cl)N1C(C)C)C(C)C)=C1c2ccccc2C(=C1)c1ccccc1
• Title of publication: Synthesis and RCM Activity of [(NHC)(NHCewg)RuCl2(3-phenylindenylid-1-ene)] Complexes
• Authors of publication: Peeck, Lars H.; Plenio, Herbert
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2761
• a: 18.552 ± 0.003 Å
• b: 9.8186 ± 0.0011 Å
• c: 24.896 ± 0.004 Å
• α: 90°
• β: 109.666 ± 0.013°
• γ: 90°
• Cell volume: 4270.4 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Ambient diffracton pressure: 1 kPa
• Number of distinct elements: 5
• 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: 0.1577
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.619
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No