Information card for entry 4074889

Structure parameters

• Chemical name: (eta-6-p-cymene){(3aS,8aR)-2-(2-diphenylphosphinophenyl)-3a,8a- dihydroindane[1,2-d]oxazole}(methacrolein)ruthenium(ii) bis(hexafluoroantimoniate)
• Formula: C42 H42 F12 N O2 P Ru Sb2
• Calculated formula: C42 H42 F12 N O2 P Ru Sb2
• Title of publication: Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions
• Authors of publication: Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1592
• a: 11.3401 ± 0.0008 Å
• b: 18.2209 ± 0.0012 Å
• c: 20.7142 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4280.1 ± 0.5 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.0817
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No