Information card for entry 4060895

Structure parameters

• Formula: C68 H54 O2 P2 Ru
• Calculated formula: C68 H54 O2 P2 Ru
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([C]5(=O)[C]1(=[C]2([C]3(=[C]45c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1)C#[O]
• Title of publication: PPh3-Substituted [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the Dicarbonyl Shvo Catalyst
• Authors of publication: Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Guzei, Ilia A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1236 - 1244
• a: 11.8831 ± 0.0018 Å
• b: 20.523 ± 0.003 Å
• c: 21.063 ± 0.003 Å
• α: 90°
• β: 93.366 ± 0.003°
• γ: 90°
• Cell volume: 5127.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No