Information card for entry 4076965

Structure parameters

• Common name: [Cp*Ru(PEt3)3][BAr'4] - compound no. 7
• Chemical name: tris(tri-ethylphosphino)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• Formula: C60 H72 B F24 P3 Ru
• Calculated formula: C60 H72 B F24 P3 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: 19.447 ± 0.005 Å
• b: 13.75 ± 0.004 Å
• c: 26.068 ± 0.006 Å
• α: 90°
• β: 107.42 ± 0.02°
• γ: 90°
• Cell volume: 6651 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No