Information card for entry 7017106

Structure parameters

• Formula: C21 H26 O Ru
• Calculated formula: C21 H26 O Ru
• SMILES: [Ru]123456(C[C]1(=[CH]2c1ccccc1)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)C#[O]
• 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: 11.5667 ± 0.0002 Å
• b: 12.0145 ± 0.0002 Å
• c: 13.089 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1818.95 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No