Information card for entry 4340501

Structure parameters

• Common name: 0046
• Formula: C15 H21 Cu F9 N3 O2 P
• Calculated formula: C15 H21 Cu F9 N3 O2 P
• Title of publication: Enhanced Reactivity of Copper Catalysts for Olefin Aziridination by Manipulation of Ligand Denticity
• Authors of publication: Halfen, Jason A.; Fox, Derek C.; Mehn, Mark P.; Que, Lawrence
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5060
• a: 7.306 ± 0.001 Å
• b: 10.276 ± 0.001 Å
• c: 14.324 ± 0.002 Å
• α: 90.84 ± 0.01°
• β: 95.74 ± 0.02°
• γ: 94.26 ± 0.01°
• Cell volume: 1066.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No