Information card for entry 7026938

Structure parameters

• Common name: 8.1
• Formula: C30 H24 F9 N3
• Calculated formula: C30 H24 F9 N3
• SMILES: FC(F)(F)c1c(/C=N/C2CC(/N=C/c3ccccc3C(F)(F)F)CC(/N=C/c3ccccc3C(F)(F)F)C2)cccc1
• 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: 14.9989 ± 0.0007 Å
• b: 8.0442 ± 0.0004 Å
• c: 23.7247 ± 0.0011 Å
• α: 90°
• β: 102.268 ± 0.001°
• γ: 90°
• Cell volume: 2797.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No