Information card for entry 4064139

Structure parameters

• Common name: [(tBuPCO)u-Pd(u-OH)]2
• Chemical name: (7)
• Formula: C34 H58 O4 P2 Pd2
• Calculated formula: C34 H58 O4 P2 Pd2
• SMILES: c12c(cccc1COC)C[P](C(C)(C)C)([Pd]12[OH][Pd]2(c3c(cccc3COC)C[P]2(C(C)(C)C)C(C)(C)C)[OH]1)C(C)(C)C
• 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: 8.0094 ± 0.0001 Å
• b: 24.7036 ± 0.0004 Å
• c: 8.8542 ± 0.0001 Å
• α: 90°
• β: 97.415 ± 0.001°
• γ: 90°
• Cell volume: 1737.25 ± 0.04 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
• Residual factor for all reflections: 0.0165
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No