Information card for entry 7017103

Structure parameters

• Formula: C20 H26 Ru
• Calculated formula: C20 H26 Ru
• SMILES: [Ru]12345678(C[C]1(=[CH]2[C]13C=CC=C[CH]4=1)C)[c]1([c]5([c]6([c]7([c]81C)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: 13.4601 ± 0.0002 Å
• b: 7.1135 ± 0.0001 Å
• c: 17.8388 ± 0.0002 Å
• α: 90°
• β: 104.424 ± 0.002°
• γ: 90°
• Cell volume: 1654.2 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No