Information card for entry 4068736

Structure parameters

• Chemical name: [k1-(Ph2PCH2CH2OPh)2Cl2Pd]
• Formula: C40 H38 Cl2 O2 P2 Pd
• Calculated formula: C40 H38 Cl2 O2 P2 Pd
• SMILES: [Pd]([P](CCOc1ccccc1)(c1ccccc1)c1ccccc1)([P](CCOc1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Reversible Ligand Pairing and Sorting Processes Leading to Heteroligated Palladium(II) Complexes with Hemilabile Ligands
• Authors of publication: Ulmann, Pirmin A.; Mirkin, Chad A.; DiPasquale, Antonio G.; Liable-Sands, Louise M.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1068
• a: 9.9937 ± 0.0006 Å
• b: 18.6424 ± 0.0011 Å
• c: 10.6535 ± 0.0006 Å
• α: 90°
• β: 116.085 ± 0.001°
• γ: 90°
• Cell volume: 1782.65 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No