Information card for entry 7026945

Structure parameters

• Common name: 5.3
• Formula: C35 H41 Cl2 Cu F6 N3 O7 P
• Calculated formula: C35 H41 Cl2 Cu F6 N3 O7 P
• SMILES: [Cu]12([N](C3CC([N]1=Cc1c(OC)cccc1OC)CC([N]2=Cc1c(OC)cccc1OC)C3)=Cc1c(OC)cccc1OC)C#[O].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• 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: 27.271 ± 0.0013 Å
• b: 16.6962 ± 0.0007 Å
• c: 21.358 ± 0.0017 Å
• α: 90°
• β: 125.248 ± 0.002°
• γ: 90°
• Cell volume: 7941.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No