Information card for entry 4074126

Structure parameters

• Chemical name: chloro-methyl-bis[(4S)-(4,5-dihydro)-4-(1-methylethyl)- -1,3-oxazol-2yl,N,N']methylamine-palladium(II)
• Formula: C14 H26 Cl N3 O2 Pd
• Calculated formula: C14 H26 Cl N3 O2 Pd
• SMILES: [Pd]1([N]2[C@H](COC=2N(C)C2=[N]1[C@H](CO2)C(C)C)C(C)C)(Cl)C
• Title of publication: High Stereocontrol and Efficiency in CO/Styrene Polyketone Synthesis Promoted by Azabis(oxazoline)−Palladium Complexes
• Authors of publication: Schätz, Alexander; Scarel, Alessandro; Zangrando, Ennio; Mosca, Luca; Carfagna, Carla; Gissibl, Anja; Milani, Barbara; Reiser, Oliver
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4065
• a: 9.944 ± 0.003 Å
• b: 11.18 ± 0.003 Å
• c: 16.186 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No