Information card for entry 4064140

Structure parameters

• Common name: (tBuPCO)PdO(CO)OH
• Chemical name: (8)
• Formula: C27 H29 D9 O4 P Pd
• Calculated formula: C27 H29 D9 O4 P Pd
• Title of publication: Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand
• Authors of publication: Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1627
• a: 9.6066 ± 0.0002 Å
• b: 10.5079 ± 0.0002 Å
• c: 25.9114 ± 0.0005 Å
• α: 90°
• β: 94.311 ± 0.001°
• γ: 90°
• Cell volume: 2608.23 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No