Information card for entry 1553411

Structure parameters

• Formula: C56 H49 Cl3 N2 Pd
• Calculated formula: C55 H47 Cl N2 Pd
• SMILES: [Pd]1([N](=C2C(=[N]1c1c(C(c3ccccc3)c3ccccc3)cc(cc1C)C)c1c3c2cccc3ccc1)c1c(C(c2ccccc2)c2ccccc2)cc(cc1C)C)(Cl)C
• Title of publication: Unsymmetrical α-diimine palladium catalysts and their properties in olefin (co)polymerization
• Authors of publication: Sui, Xuelin; Hong, Changwen; Pang, Wenmin; Chen, Changle
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 967
• a: 10.7748 ± 0.0004 Å
• b: 24.3601 ± 0.0008 Å
• c: 18.0013 ± 0.0008 Å
• α: 90°
• β: 95.951 ± 0.004°
• γ: 90°
• Cell volume: 4699.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1581
• Residual factor for significantly intense reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.3576
• Weighted residual factors for all reflections included in the refinement: 0.3835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No