Information card for entry 4067999

Structure parameters

• Formula: C39 H22 Cu4 F20 N2
• Calculated formula: C39 H10 Cu4 F20 N2
• 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: 20.1931 ± 0.0013 Å
• b: 12.4763 ± 0.0009 Å
• c: 15.8809 ± 0.0011 Å
• α: 90°
• β: 90.649 ± 0.001°
• γ: 90°
• Cell volume: 4000.7 ± 0.5 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No