Information card for entry 7026944

Structure parameters

• Common name: 3.3
• Formula: C29 H29 Cl2 Cu F6 N3 O P
• Calculated formula: C29 H29 Cl2 Cu F6 N3 O P
• SMILES: [Cu]12([N](C3CC([N]1=Cc1ccccc1)CC([N]2=Cc1ccccc1)C3)=Cc1ccccc1)C#[O].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: 18.1755 ± 0.0008 Å
• b: 17.9772 ± 0.0008 Å
• c: 18.5659 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6066.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.686
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No