Information card for entry 4101159

Structure parameters

• Common name: (tBuPCP)PdOOH
• Formula: C24 H44 O2 P2 Pd
• Calculated formula: C24 H44 O2 P2 Pd
• SMILES: c12c3C[P](C(C)(C)C)(C(C)(C)C)[Pd]2(OO)[P](Cc1ccc3)(C(C)(C)C)C(C)(C)C
• Title of publication: Direct Observation of Insertion of Molecular Oxygen into a Palladium(II) Hydride Bond
• Authors of publication: Melanie C. Denney; Antonio G. DiPasquale; Karen I. Goldberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 7.8223 ± 0.0002 Å
• b: 12.1238 ± 0.0004 Å
• c: 13.68 ± 0.0005 Å
• α: 79.9835 ± 0.0013°
• β: 85.0292 ± 0.0012°
• γ: 84.0344 ± 0.0018°
• Cell volume: 1267.55 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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