Information card for entry 4076966

Structure parameters

• Common name: [Cp*Ru(H)2(PPh(iPr)2)2][BAr'4] - compound no. 9
• Formula: C66 H67 B F24 P2 Ru
• Calculated formula: C66 H67 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: 12.284 ± 0.003 Å
• b: 15.105 ± 0.004 Å
• c: 36.404 ± 0.009 Å
• α: 90°
• β: 99.14 ± 0.01°
• γ: 90°
• Cell volume: 6669 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No