Information card for entry 7701517

Structure parameters

• Common name: Zn(Aracac)2
• Formula: C62 H70 O4 Zn
• Calculated formula: C62 H70 O4 Zn
• Title of publication: Sterically encumbered β-diketonates and base metal catalysis.
• Authors of publication: Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10714 - 10722
• a: 12.094 ± 0.0015 Å
• b: 14.059 ± 0.0017 Å
• c: 18.544 ± 0.003 Å
• α: 91.169 ± 0.007°
• β: 108.967 ± 0.005°
• γ: 114.344 ± 0.005°
• Cell volume: 2672.7 ± 0.7 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 121.58 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No