Information card for entry 4124283

Structure parameters

• Formula: C48 H52 N4 O2 Pd2
• Calculated formula: C48 H52 N4 O2 Pd2
• SMILES: C[Pd]12=C3N(C=C4C=Cc5cccc([O]1[Pd]1(C)=C6N(C=C7C=Cc8cccc([O]21)c8N67)c1c(cccc1C(C)C)C(C)C)c5N34)c1c(cccc1C(C)C)C(C)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: 24.908 ± 0.013 Å
• b: 8.305 ± 0.004 Å
• c: 19.609 ± 0.01 Å
• α: 90°
• β: 99.767 ± 0.008°
• γ: 90°
• Cell volume: 3998 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No