Information card for entry 4068002

Structure parameters

• Formula: C12 H7 Cu F5 N
• Calculated formula: C12 H7 Cu F5 N
• SMILES: [Cu]([n]1ccc(C)cc1)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence
• Authors of publication: Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1546
• a: 5.9779 ± 0.0004 Å
• b: 7.2228 ± 0.0006 Å
• c: 13.4698 ± 0.001 Å
• α: 91.634 ± 0.002°
• β: 90.298 ± 0.002°
• γ: 95.32 ± 0.002°
• Cell volume: 578.83 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No