Information card for entry 4124282

Structure parameters

• Formula: C40 H45 N3 O Pd
• Calculated formula: C40 H45 N3 O Pd
• SMILES: [Pd]1(=C2N(C=C3C=Cc4ccc(c(c4N23)O1)c1c(cc(cc1C)C)C)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: 13.752 ± 0.003 Å
• b: 7.988 ± 0.0017 Å
• c: 31.023 ± 0.007 Å
• α: 90°
• β: 91.439 ± 0.003°
• γ: 90°
• Cell volume: 3406.8 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No