Information card for entry 2009293

Structure parameters

• Chemical name: η^5^-pentamethylcyclopentadienyl-η^4^-(2-methylbuta-1,3-diene)-acetonitrile- ruthenium(II) trifluoromethanesulfonate
• Formula: C18 H26 F3 N O3 Ru S
• Calculated formula: C18 H26 F3 N O3 Ru S
• Title of publication: (Acetonitrile-<i>N</i>)(η^4^-2-methylbuta-1,3-diene)(η^5^-pentamethylcyclopentadienyl)ruthenium(II) trifluoromethanesulfonate
• Authors of publication: Gemel, Christian; Kirchner, Karl; Schmid, Roland; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2053 - 2055
• a: 8.178 ± 0.002 Å
• b: 10.674 ± 0.003 Å
• c: 12.992 ± 0.003 Å
• α: 75.79 ± 0.01°
• β: 75.94 ± 0.01°
• γ: 88.62 ± 0.01°
• Cell volume: 1065.7 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No