Information card for entry 4074519

Structure parameters

• Common name: [PdCl(2-methallyl)(phosphoramidite)]
• Formula: C80 H76 Cl2 N2 O12 P2 Pd2
• Calculated formula: C40 H38 Cl N O6 P Pd
• SMILES: [Pd]12(Cl)([CH2]=[C]1(C2)C)[P]1(Oc2c(c3ccccc3cc2)c2c(O1)ccc1ccccc21)[NH+]([C@H](c1ccccc1)C)[C@H](c1ccccc1)C.O.O.O.O
• Title of publication: Palladium-Allyl Phosphoramidite Complexes: Solid-State Structures and Solution Dynamics
• Authors of publication: Filipuzzi, Serena; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5955
• a: 9.71 ± 0.003 Å
• b: 13.593 ± 0.004 Å
• c: 15.154 ± 0.005 Å
• α: 85.181 ± 0.008°
• β: 89.777 ± 0.008°
• γ: 77.53 ± 0.008°
• Cell volume: 1945.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No