Information card for entry 4076961

Structure parameters

• Common name: [Cp*Ru(PEt3)2][BAr'4] - compound no. 1
• Chemical name: bis(tri-ethylphosphino)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• Formula: C54 H57 B F24 P2 Ru
• Calculated formula: C51.85 H27 B F24 P2 Ru
• 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: 13.156 ± 0.012 Å
• b: 12.522 ± 0.012 Å
• c: 18.591 ± 0.018 Å
• α: 92.81 ± 0.03°
• β: 99.81 ± 0.03°
• γ: 93.73 ± 0.03°
• Cell volume: 3006 ± 5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1264
• Residual factor for significantly intense reflections: 0.1104
• Weighted residual factors for significantly intense reflections: 0.3256
• Weighted residual factors for all reflections included in the refinement: 0.3483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No