Information card for entry 7026937

Structure parameters

• Common name: 5.1
• Formula: C33 H51 N3 O12
• Calculated formula: C33 H51 N3 O12
• SMILES: O(C)c1c(/C=N/C2CC(CC(C2)/N=C/c2c(cccc2OC)OC)/N=C/c2c(cccc2OC)OC)c(ccc1)OC.O.O.O.O.O.O
• 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: 21.47 ± 0.0007 Å
• b: 21.47 ± 0.0007 Å
• c: 13.9509 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5569.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No