Information card for entry 7100787

Structure parameters

• Common name: ((3,5-(CF3)2PzCu)3(C12H8N2))
• Formula: C28 H13 Cl2 Cu3 F18 N8
• Calculated formula: C28 H13 Cl2 Cu3 F18 N8
• SMILES: [Cu]34[n](c(cc1C(F)(F)F)C(F)(F)F)[n]1[Cu][n](c(cc1C(F)(F)F)C(F)(F)F)[n]1[Cu]([n]1[n]3c(C(F)(F)F)cc1C(F)(F)F)[n]1[n]4c2ccccc2c2ccccc12.ClCCl
• 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: 9.2674 ± 0.0014 Å
• b: 15.769 ± 0.002 Å
• c: 23.946 ± 0.004 Å
• α: 90°
• β: 99.06 ± 0.002°
• γ: 90°
• Cell volume: 3455.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No