Information card for entry 7017105

Structure parameters

• Formula: C23 H35 P Ru
• Calculated formula: C23 H35 P Ru
• SMILES: [Ru]123456([P](C)(C)C)(C[C]1(=[CH]2c1ccccc1)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Facile η(5)-η(3) hapticity interconversion in pentamethylcyclopentadienyl ruthenium(ii) complexes containing a phenylmethallyl ("open indenyl") ligand.
• Authors of publication: Glöckner, Andreas; Arias, Oscar; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11511 - 11518
• a: 8.3388 ± 0.0002 Å
• b: 17.1916 ± 0.0006 Å
• c: 15.4241 ± 0.0006 Å
• α: 90°
• β: 105.443 ± 0.004°
• γ: 90°
• Cell volume: 2131.33 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No