Information card for entry 7026943

Structure parameters

• Common name: 9.2
• Formula: C33 H38 Cl2 Cu F6 N4 O3 P
• Calculated formula: C33 H38 Cl2 Cu F6 N4 O3 P
• SMILES: [Cu]12([N]#CC)[N](C3CC([N]1=Cc1ccccc1OC)CC([N]2=Cc1ccccc1OC)C3)=Cc1ccccc1OC.C(Cl)Cl.[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: 11.5586 ± 0.0018 Å
• b: 12.64 ± 0.002 Å
• c: 14.529 ± 0.002 Å
• α: 67.007 ± 0.004°
• β: 72.472 ± 0.004°
• γ: 70.142 ± 0.004°
• Cell volume: 1802.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No