Information card for entry 1553410

Structure parameters

• Formula: C46 H44 Br2 N2 Ni
• Calculated formula: C46 H44 Br2 N2 Ni
• SMILES: c1(c(cc(cc1C)C)C(c1ccccc1)c1ccccc1)[N]1=C(C(=[N]([Ni]1(Br)Br)c1c(cc(cc1C)C)C(c1ccccc1)c1ccccc1)C)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: 9.6692 ± 0.0002 Å
• b: 15.1682 ± 0.0003 Å
• c: 28.4042 ± 0.0005 Å
• α: 90°
• β: 95.927 ± 0.002°
• γ: 90°
• Cell volume: 4143.61 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.3249
• Weighted residual factors for all reflections included in the refinement: 0.3336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No