Information card for entry 2208885

Structure parameters

• Chemical name: (η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine- κP)ruthenium(IV) hexafluorophosphate
• Formula: C26 H26 Br F6 N P2 Ru
• Calculated formula: C26 H26 Br F6 N P2 Ru
• SMILES: [Ru]123456(Br)([P](Nc7ccccc7)(c7ccccc7)c7ccccc7)([cH]7[cH]4[cH]3[cH]2[cH]17)[CH2]=[CH]5C6.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine-κ<i>P</i>)ruthenium(IV) hexafluorophosphate
• Authors of publication: Pavlik, Sonja; Kirchner, Karl; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1051 - m1053
• a: 15.384 ± 0.002 Å
• b: 17.603 ± 0.002 Å
• c: 19.469 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5272.3 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes