Information card for entry 4066124

Structure parameters

• Formula: C25 H31 N3 O3 Pd
• Calculated formula: C25 H31 N3 O3 Pd
• SMILES: C(c1c(c2c(cc1)cccc2O)[O-])=[N](c1ccccc1)[Pd]1(C)[N](CC[N]1(C)C)(C)C.CO
• Title of publication: Synthesis of (N−O)-Ligated Palladium(II) Complexes and Their Use in Ethene Homopolymerization and Norbornene Copolymerizations
• Authors of publication: Chen, Ying; Mandal, Sukhendu; Sen, Ayusman
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3160
• a: 8.3518 ± 0.0013 Å
• b: 11.94 ± 0.0018 Å
• c: 26.064 ± 0.004 Å
• α: 90°
• β: 91.688 ± 0.003°
• γ: 90°
• Cell volume: 2598 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No