Information card for entry 4062629

Structure parameters

• Formula: C22 H19 B N6 O Ru S2
• Calculated formula: C22 H19 B N6 O Ru S2
• SMILES: [Ru]123(Sc4c([S]1c1ccccc1)cccc4)([n]1[n]([BH]([n]4[n]2ccc4)[n]2[n]3ccc2)ccc1)C#[O]
• Title of publication: Reaction of Diaryldisulfides with RuTp(COD)Cl in N,N'-Dimethylformamide - Formation of 2-Arylmercapto-arylmercaptan Complexes
• Authors of publication: Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 14.4215 ± 0.0006 Å
• b: 17.3662 ± 0.0007 Å
• c: 18.5927 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4656.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No