Information card for entry 4064424

Structure parameters

• Formula: C19 H26 Cl N O5 Ru S4
• Calculated formula: C19 H26 Cl N O5 Ru S4
• SMILES: c12ccccc1c1cccc[n]1[Ru]132([S](C)(C)=O)[S]2CC[S]1CC[S]3CC2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Facile Direct Insertion of Nitrosonium Ion (NO+) into a Ruthenium−Aryl Bond
• Authors of publication: Chan, Siu-Chung; Pat, Pak-Kei; Lau, Tai-Chu; Wong, Chun-Yuen
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1311
• a: 7.833 ± 0.0002 Å
• b: 15.3408 ± 0.0004 Å
• c: 18.8882 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2269.69 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No