Information card for entry 4124357

Structure parameters

• Formula: C31 H35 N3 O Pd
• Calculated formula: C31 H35 N3 O Pd
• SMILES: [Pd]1(=C2N(C=C3C=Cc4cccc(c4N23)O1)c1c(cccc1C(C)C)C(C)C)(C)[n]1c(cccc1C)C
• Title of publication: Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.
• Authors of publication: Nakano, Ryo; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 34
• Pages of publication: 10934 - 10937
• a: 22.587 ± 0.005 Å
• b: 10.845 ± 0.002 Å
• c: 10.947 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2681.5 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No