Information card for entry 4516803

Structure parameters

• Chemical name: Ni2-FI(SO2)
• Formula: C52 H64 N2 Ni2 O6 P2 S2
• Calculated formula: C52 H64 N2 Ni2 O6 P2 S2
• Title of publication: Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes
• Authors of publication: Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.
• Journal of publication: ACS Macro Letters
• Year of publication: 2015
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 1297
• a: 11.6834 ± 0.0004 Å
• b: 14.3669 ± 0.0005 Å
• c: 18.298 ± 0.0005 Å
• α: 90.487 ± 0.002°
• β: 98.374 ± 0.002°
• γ: 107.462 ± 0.002°
• Cell volume: 2894.18 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No