Information card for entry 4514750

Structure parameters

• Formula: C42 H33 Cl F2 Ni P2
• Calculated formula: C42 H33 Cl F2 Ni P2
• SMILES: [Ni]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)c1cc(F)cc(F)c1
• Title of publication: Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization
• Authors of publication: Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 2760
• a: 30.115 ± 0.003 Å
• b: 11.645 ± 0.002 Å
• c: 20.4586 ± 0.0019 Å
• α: 90°
• β: 102.223 ± 0.008°
• γ: 90°
• Cell volume: 7012 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No