Information card for entry 7701518

Structure parameters

• Formula: C70 H86 Ni O6
• Calculated formula: C70 H86 Ni O6
• 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: 34.764 ± 0.004 Å
• b: 34.764 ± 0.004 Å
• c: 10.7447 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12985 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No