Information card for entry 4060896

Structure parameters

• Formula: C59 H48 N O2.5 P Ru
• Calculated formula: C55 H44 N O2 P Ru
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([n]5ccccc5)([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: 12.2471 ± 0.001 Å
• b: 13.4125 ± 0.0011 Å
• c: 14.5482 ± 0.0012 Å
• α: 96.734 ± 0.001°
• β: 97.104 ± 0.001°
• γ: 97.215 ± 0.001°
• Cell volume: 2331.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No