Information card for entry 7026939

Structure parameters

• Common name: 9.1
• Formula: C31 H35 Cl2 N3 O3
• Calculated formula: C31 H35 Cl2 N3 O3
• SMILES: O(c1c(/C=N/C2CC(/N=C/c3c(OC)cccc3)CC(/N=C/c3c(OC)cccc3)C2)cccc1)C.ClCCl
• 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: 20.8117 ± 0.0014 Å
• b: 13.7364 ± 0.001 Å
• c: 10.7141 ± 0.0007 Å
• α: 90°
• β: 103.852 ± 0.004°
• γ: 90°
• Cell volume: 2973.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No