Information card for entry 7020102

Structure parameters

• Common name: EPH200-20
• Formula: C87 H93 Cl6 N6 O3.25 Ru3
• Calculated formula: C87 H96 Cl6 N6 O3.25 Ru3
• 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: 17.0768 ± 0.0006 Å
• b: 17.4168 ± 0.0006 Å
• c: 17.9705 ± 0.0006 Å
• α: 108.116 ± 0.003°
• β: 97.21 ± 0.003°
• γ: 119.219 ± 0.002°
• Cell volume: 4178.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1415
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No