Information card for entry 4327635

Structure parameters

• Common name: 6
• Formula: C18 H24 Cu F12 N4 P2
• Calculated formula: C18 H24 Cu F12 N4 P2
• SMILES: [Cu]123([N]4(CCC[N]1(CCC4)Cc1[n]3cccc1)Cc1[n]2cccc1)([F][P](F)(F)(F)(F)F)[F][P](F)(F)(F)(F)F
• Title of publication: Copper(II) Complexes of Pyridyl-Appended Diazacycloalkanes: Synthesis, Characterization, and Application to Catalytic Olefin Aziridination
• Authors of publication: Jason A. Halfen; Joseph M. Uhan; Derek C. Fox; Mark P. Mehn; Lawrence Que
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4913 - 4920
• a: 14.416 ± 0.004 Å
• b: 15.284 ± 0.001 Å
• c: 11.161 ± 0.002 Å
• α: 90°
• β: 99.09 ± 0.03°
• γ: 90°
• Cell volume: 2428.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1377
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No