Information card for entry 1553412

Structure parameters

• Formula: C47 H47 Cl N2 Pd
• Calculated formula: C47 H47 Cl N2 Pd
• SMILES: [Pd]1([N](c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C)=C(C(=[N]1c1c(C(c2ccccc2)c2ccccc2)cc(C)cc1C)C)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: 13.1491 ± 0.0006 Å
• b: 19.2193 ± 0.001 Å
• c: 19.3227 ± 0.0008 Å
• α: 105.127 ± 0.004°
• β: 109.315 ± 0.004°
• γ: 96.896 ± 0.004°
• Cell volume: 4333 ± 0.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No