Information card for entry 7006447

Structure parameters

• Formula: C33 H33 Br Cu N3
• Calculated formula: C33 H33 Br Cu N3
• SMILES: Br[Cu]12/[N](C3CC(CC(C3)/[N]2=C/C=C/c2ccccc2)/[N]1=C/C=C/c1ccccc1)=C\C=C\c1ccccc1
• 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: 12.957 ± 0.003 Å
• b: 21.405 ± 0.005 Å
• c: 21.458 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5951 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No