Information card for entry 7020101

Structure parameters

• Common name: EM247
• Formula: C42.59 H43.77 Cl2.82 N2 O1.59 Ru
• Calculated formula: C42.5983 H43.795 Cl2.803 N2 O1.29925 Ru
• Title of publication: Synthesis and characterization of new ruthenium N-heterocyclic carbene Hoveyda II-type complexes. Study of reactivity in ring closing metathesis reactions.
• Authors of publication: Merino, Estíbaliz; Poli, Evelyne; Díaz, Urbano; Brunel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10913 - 10918
• a: 20.71 ± 0.0005 Å
• b: 10.3621 ± 0.0003 Å
• c: 18.7711 ± 0.0004 Å
• α: 90°
• β: 107.433 ± 0.001°
• γ: 90°
• Cell volume: 3843.23 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No