Information card for entry 7026946

Structure parameters

• Common name: 6.3
• Formula: C28 H12 Cu F21 N3 O P
• Calculated formula: C28 H12 Cu F21 N3 O P
• SMILES: C(#[O])[Cu]12[N](C3CC(CC(C3)[N]1=Cc1c(c(c(c(F)c1F)F)F)F)[N]2=Cc1c(c(c(c(F)c1F)F)F)F)=Cc1c(F)c(c(c(F)c1F)F)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cu(I) complexes based on cis, cis-1,3,5-tris(arylideneamino)cyclohexane ligands: synthesis, structure and CO binding.
• Authors of publication: Ebrahimpour, Parisa; Cushion, Michael; Haddow, Mairi F.; Hallett, Andrew J.; Wass, Duncan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10910 - 10919
• a: 10.2405 ± 0.0005 Å
• b: 10.2405 ± 0.0005 Å
• c: 38.022 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3453.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No