Information card for entry 4082035

Structure parameters

• Formula: C62.75 H67.25 Cl2.25 Cu F6 Fe N2 O0.25 P3
• Calculated formula: C62.759 H67.277 Cl2.241 Cu F6 Fe N2 O0.253 P3
• Title of publication: Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines
• Authors of publication: Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7225
• a: 12.517 ± 0.002 Å
• b: 23.36 ± 0.004 Å
• c: 20.715 ± 0.004 Å
• α: 90°
• β: 91.851 ± 0.006°
• γ: 90°
• Cell volume: 6053.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No