Information card for entry 2005992

Structure parameters

• Chemical name: acetonitrile(η^5^-cyclopentadienyl)bis(triphenylphosphine) ruthenium(II) tetrafluoroborate
• Formula: C43 H38 B F4 N P2 Ru
• Calculated formula: C43 H38 B F4 N P2 Ru
• SMILES: [Ru]([N]#CC)([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.B(F)(F)(F)[F-]
• Title of publication: (Acetonitrile-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) Tetrafluoroborate
• Authors of publication: Carreón, O. Y.; Leyva, M. A.; Fernández-G., J. M.; Pénicaud, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 301 - 302
• a: 10.32 ± 0.004 Å
• b: 17.062 ± 0.008 Å
• c: 21.803 ± 0.001 Å
• α: 90°
• β: 90.28 ± 0.02°
• γ: 90°
• Cell volume: 3839 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0489
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No