Information card for entry 7013681

Structure parameters

• Formula: C19 H13 B F4 O2 Ru S
• Calculated formula: C19 H13 B F4 O2 Ru S
• SMILES: [Ru]1234([S]5c6ccccc6c6ccccc56)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[B](F)(F)(F)[F-]
• Title of publication: CpRu(CO)2(BF4) and [CpFe(CO)2(THF)]+ on mesoporous silica as adsorbents for the removal of dibenzothiophenes from hydrocarbon solutions.
• Authors of publication: McKinley, Scott G.; Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 788 - 793
• a: 9.2305 ± 0.0014 Å
• b: 10.3298 ± 0.0016 Å
• c: 10.9513 ± 0.0017 Å
• α: 103.68 ± 0.003°
• β: 111.307 ± 0.002°
• γ: 93.487 ± 0.003°
• Cell volume: 932.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No