Information card for entry 7100785

Structure parameters

• Common name: ((3,5-(CF3)2PzCu)4(C4H4N2)2)
• Formula: C28 H12 Cu4 F24 N12
• Calculated formula: C28 H12 Cu4 F24 N12
• SMILES: [Cu]12[n]3[n](cccc3)[Cu]3n4c(C(F)(F)F)cc(C(F)(F)F)[n]4[Cu]([n]4cccc[n]4[Cu]([n]4n2c(cc4C(F)(F)F)C(F)(F)F)[n]2n1c(C(F)(F)F)cc2C(F)(F)F)[n]1n3c(cc1C(F)(F)F)C(F)(F)F
• Title of publication: Neutral Cu~4~N~12~ and Ag~4~N~12~ metallacycles with a para-cyclophane framework assembled from copper(I) and silver(I) pyrazolates and pyridazine.
• Authors of publication: Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Gamage, Chammi S. Palehepitiya
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 1619 - 1621
• a: 9.3177 ± 0.001 Å
• b: 10.0414 ± 0.0011 Å
• c: 11.7532 ± 0.0013 Å
• α: 105.928 ± 0.002°
• β: 109.526 ± 0.002°
• γ: 96.78 ± 0.002°
• Cell volume: 969.56 ± 0.18 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: 0.0312
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No