Information card for entry 4061076

Structure parameters

• Formula: C33 H42 Cl4 Ru2 S2
• Calculated formula: C34 H44 Cl6 Ru2 S2
• SMILES: [c]12([c]3([c]4([c]5([c]1([Ru]162345([S](c2ccccc2)[Ru]23456([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([S]1c1ccccc1)Cl)Cl)C)C)C)C)C.ClCCl.C(Cl)Cl
• 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: 12.8545 ± 0.0007 Å
• b: 9.4609 ± 0.0006 Å
• c: 16.096 ± 0.001 Å
• α: 90°
• β: 102.984 ± 0.0007°
• γ: 90°
• Cell volume: 1907.4 ± 0.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No