Information card for entry 1559037

Structure parameters

• Common name: [CuL2](PF6)2
• Formula: C20 H18 Cu F12 N6 P2
• Calculated formula: C20 Cu F12 N6 P2
• SMILES: [Cu]12([n]3c(cccc3)Nc3[n]1cccc3)[n]1c(cccc1)Nc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Coordination Geometries in Bis(di-2-pyridylamine)copper(II) Complexes. Crystal Structures of [CuL2](PF6)2, [CuL2(NO3)2] and [CuL2(NCS)1.5(ClO4)0.5][CuL2(NCS)]2(ClO4)2 (L = Di-2-pyridylamine)
• Authors of publication: Sletten, Jorunn; Svardal, Kristin; Sorensen, Astrid
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 1091 - 1099
• a: 9.418 ± 0.002 Å
• b: 13.472 ± 0.003 Å
• c: 40.834 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5181 ± 1.7 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 3.35
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No