Information card for entry 1570522

Structure parameters

• Formula: C76.5 H72.5 N Ni O2 P
• Calculated formula: C76.5 H72.5 N Ni O2 P
• Title of publication: Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes
• Authors of publication: Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 292 - 302
• a: 10.6428 ± 0.0018 Å
• b: 16.779 ± 0.002 Å
• c: 18.282 ± 0.003 Å
• α: 109.298 ± 0.005°
• β: 101.65 ± 0.006°
• γ: 92.667 ± 0.006°
• Cell volume: 2995.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No