Information card for entry 7041738

Structure parameters

• Common name: trp101612
• Chemical name: trp101612
• Formula: C23 H37 B Cu N6 O2
• Calculated formula: C23 H37 B Cu N6 O2
• Title of publication: Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.
• Authors of publication: Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2551 - 2558
• a: 15.9638 ± 0.0027 Å
• b: 15.4774 ± 0.0025 Å
• c: 10.2837 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No