Information card for entry 4061075

Structure parameters

• Formula: C33 H42 Cl F3 O4 Ru2 S4
• Calculated formula: C33 H40 Cl F3 O3 Ru2 S3
• SMILES: [Ru]1234567([Ru]89%10%11([Cl]1)([S]2c1ccccc1)([S]3c1ccccc1)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol
• Authors of publication: Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 5100 - 5103
• a: 14.0735 ± 0.0005 Å
• b: 14.9304 ± 0.0008 Å
• c: 17.1191 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3597.1 ± 0.3 ų
• Cell temperature: 296.2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No