Information card for entry 2200152

Structure parameters

• Chemical name: (Benzylamine-N)(η^5^-cyclopentadienyl)bis(triphenylphosphine-P)ruthenium(II) tetrafluoroborate
• Formula: C48 H44 B F4 N P2 Ru
• Calculated formula: C48 H44 B F4 N P2 Ru
• SMILES: [Ru]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([NH2]Cc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: (Benzylamine-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) tetrafluoroborate
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Navarro, M. Elena; García-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m162 - m163
• a: 13.4255 ± 0.0003 Å
• b: 21.1335 ± 0.0006 Å
• c: 28.6552 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8130.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes