Information card for entry 4069981

Structure parameters

• Formula: C36 H43 N O Ru
• Calculated formula: C36 H43 N O Ru
• SMILES: [Ru]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[cH]1[c]8([c]7([cH]6[cH]51)C(=O)C)C(=N\c1c(cccc1C(C)C)C(C)C)\c1ccccc1
• Title of publication: An Efficient, Modular Route to New 2-Acyl-6-aminopentafulvenes and Planar-Chiral [N,O]-Functionalized Pentamethylruthenocenes
• Authors of publication: Enk, Barbara; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Bildstein, Benno
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5575
• a: 8.828 ± 0.0005 Å
• b: 8.8599 ± 0.0008 Å
• c: 10.6735 ± 0.0009 Å
• α: 97.331 ± 0.004°
• β: 106.433 ± 0.005°
• γ: 99.819 ± 0.005°
• Cell volume: 775.22 ± 0.11 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No