Information card for entry 4060894

Structure parameters

• Formula: C64 H53 O4 P Ru
• Calculated formula: C57 H45 O4 P Ru
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(OC(=O)c5ccccc5)([c]5([c]1([c]2([c]3([c]45c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1)O)C#[O]
• Title of publication: The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes
• Authors of publication: Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1230 - 1235
• a: 11.012 ± 0.003 Å
• b: 13.278 ± 0.004 Å
• c: 18.598 ± 0.005 Å
• α: 97.026 ± 0.006°
• β: 99.2 ± 0.007°
• γ: 98.692 ± 0.005°
• Cell volume: 2623.6 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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