Information card for entry 7000613

Structure parameters

• Formula: C39 H50 Cl2 Cu F6 N4 P
• Calculated formula: C39 H50 Cl2 Cu F6 N4 P
• SMILES: [Cu]12([N](C3CC([N]1=Cc1c(cc(cc1C)C)C)CC([N]2=Cc1c(cc(cc1C)C)C)C3)=Cc1c(cc(cc1C)C)C)[N]#CC.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Copper(i) complexes of cis,cis-1,3,5-tris(mesitylideneamino)cyclohexane ligands: synthesis, structure and substrate selectivity
• Authors of publication: Cushion, Michael; Ebrahimpour, Parisa; Haddow, Mairi F.; Hallett, Andrew J.; Mansell, Stephen M.; Orpen, A. Guy; Wass, Duncan F.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1632 - 1635
• a: 13.291 ± 0.005 Å
• b: 15.751 ± 0.005 Å
• c: 19.409 ± 0.007 Å
• α: 90°
• β: 100.48 ± 0.03°
• γ: 90°
• Cell volume: 3995 ± 2 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: 0.0802
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No