Information card for entry 4076962

Structure parameters

• Common name: [Cp*Ru(dippe)][BAr'4] - compound no. 2
• Chemical name: (bis-(di-isopropylphosphino)-ethane)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• Formula: C56 H59 B F24 P2 Ru
• Calculated formula: C56 H59 B F24 P2 Ru0.9904
• Title of publication: Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity
• Authors of publication: Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5334
• a: 12.597 ± 0.006 Å
• b: 12.946 ± 0.006 Å
• c: 18.967 ± 0.009 Å
• α: 95.4 ± 0.02°
• β: 99.62 ± 0.02°
• γ: 92.78 ± 0.02°
• Cell volume: 3030 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No