Information card for entry 7007527

Structure parameters

• Formula: C21 H16 N2 O9 Ru3 S
• Calculated formula: C21 H16 N2 O9 Ru3 S
• SMILES: C12N([C@H](CN1CC[S]1[Ru]34=2(C#[O])(C#[O])[Ru](C#[O])(C#[O])(C#[O])(C#[O])[Ru]13(C#[O])(C#[O])(C#[O])[H]4)c1ccccc1)C
• Title of publication: Triruthenium and triosmium carbonyl clusters containing chiral bidentate NHC-thiolate ligands derived from levamisole.
• Authors of publication: Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Sánchez-Vega, M Gabriela
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 3966 - 3971
• a: 9.2786 ± 0.0003 Å
• b: 16.3421 ± 0.0004 Å
• c: 34.6797 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5258.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No