Information card for entry 7006448

Structure parameters

• Formula: C33 H33 Cu N4 O2
• Calculated formula: C33 H33 Cu N4 O2
• SMILES: C12CC3CC(C1)[N](=CC=Cc1ccccc1)[Cu]([N]2=CC=Cc1ccccc1)([N]3=CC=Cc1ccccc1)N(=O)=O
• Title of publication: Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.
• Authors of publication: Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 14
• Pages of publication: 1790 - 1795
• a: 12.2294 ± 0.001 Å
• b: 13.5896 ± 0.0011 Å
• c: 17.0826 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2839 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No