Information card for entry 4081548

Structure parameters

• Formula: C22 H28 Ru
• Calculated formula: C22 H28 Ru
• SMILES: [Ru]12345678([CH]9=[CH]1C2[c]13cccc[c]41C9(C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand
• Authors of publication: Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5918
• a: 13.6723 ± 0.0004 Å
• b: 8.5436 ± 0.0002 Å
• c: 16.0804 ± 0.0004 Å
• α: 90°
• β: 103.142 ± 0.002°
• γ: 90°
• Cell volume: 1829.17 ± 0.08 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: 0.0287
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No