Information card for entry 7024214

Structure parameters

• Formula: C28 H24 N O P Pd
• Calculated formula: C28 H24 N O P Pd
• SMILES: [Pd]12([N](=Cc3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1ccccc1O2)CC=C
• Title of publication: Palladium complexes with a tridentate PNO ligand. Synthesis of eta1-allyl complexes and cross-coupling reactions promoted by boron compounds.
• Authors of publication: Crociani, Bruno; Antonaroli, Simonetta; Burattini, Marcello; Paoli, Paola; Rossi, Patrizia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3665 - 3672
• a: 9.8186 ± 0.0003 Å
• b: 18.2721 ± 0.0005 Å
• c: 12.997 ± 0.0004 Å
• α: 90°
• β: 102.043 ± 0.003°
• γ: 90°
• Cell volume: 2280.43 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No