Information card for entry 1540022

Structure parameters

• Formula: C14 H14 B F4 N O2 Ru
• Calculated formula: C14 H14 B F4 N O2 Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]2345(C#[O])(C#[O])[NH2]Cc1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Characterization of New (η5-Cyclopentadienyl)dicarbonylruthenium(II) Amine Complexes: Their Application as Homogeneous Catalysts in Styrene Oxidation
• Authors of publication: Nyawade, Eunice A.; Friedrich, Holger B.; Omondi, Bernard; Mpungose, Philani
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4922
• a: 10.4488 ± 0.0003 Å
• b: 9.7788 ± 0.0004 Å
• c: 31.7901 ± 0.0011 Å
• α: 90°
• β: 99.236 ± 0.001°
• γ: 90°
• Cell volume: 3206.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No