Information card for entry 4064426

Structure parameters

• Formula: C21 H26 F12 N4 O P2 Ru S3
• Calculated formula: C21 H26 F12 N4 O P2 Ru S3
• SMILES: C(C)#[N][Ru]123([N](c4ccccc4c4cccc[n]14)=O)[S]1CC[S]2CC[S]3CC1.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[F-][P](F)(F)(F)(F)F
• 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: 11.2746 ± 0.0004 Å
• b: 23.4416 ± 0.0006 Å
• c: 12.5948 ± 0.0004 Å
• α: 90°
• β: 116.068 ± 0.004°
• γ: 90°
• Cell volume: 2990.12 ± 0.19 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No