Information card for entry 4064346

Structure parameters

• Common name: 6satMesHG2
• Formula: C38 H46 Cl2 N2 O Ru
• Calculated formula: C38 H46 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)([O](c2c(C=1)cccc2)C(C)C)(=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cl.c1ccccc1
• Title of publication: Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes
• Authors of publication: Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2278
• a: 9.035 ± 0.005 Å
• b: 36.801 ± 0.005 Å
• c: 10.84 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.37 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3556 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No