Information card for entry 7026940

Structure parameters

• Common name: 3.2
• Formula: C84 H86 Cl2 Cu4 F24 N10 P4
• Calculated formula: C84 H86 Cl2 Cu4 F24 N10 P4
• SMILES: [Cu]12([N](C3CC([N]1=Cc1ccccc1)CC([N]2=Cc1ccccc1)C3)=Cc1ccccc1)[N]#CC.[Cu]1[N](C2CC3[N]([Cu][N](C4CC([N]([Cu][N](C(C3)C2)=Cc2ccccc2)=Cc2ccccc2)CC([N]1=Cc1ccccc1)C4)=Cc1ccccc1)=Cc1ccccc1)=Cc1ccccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(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: 16.34 ± 0.0007 Å
• b: 13.4089 ± 0.0006 Å
• c: 40.1113 ± 0.0013 Å
• α: 90°
• β: 90.042 ± 0.002°
• γ: 90°
• Cell volume: 8788.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1159
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2323
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No