Information card for entry 1569981

Structure parameters

• Common name: (EMind)LCu(N3Ad)
• Formula: C83 H116 Cu F6 N5 O2
• Calculated formula: C83 H116 Cu F6 N5 O2
• Title of publication: Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.
• Authors of publication: Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 39
• Pages of publication: 10847 - 10860
• a: 10.531 ± 0.003 Å
• b: 28.389 ± 0.009 Å
• c: 26.123 ± 0.013 Å
• α: 90°
• β: 98.954 ± 0.017°
• γ: 90°
• Cell volume: 7715 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1594
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2432
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No