Information card for entry 7006446

Structure parameters

• Formula: C33 H33 Cl Cu N3
• Calculated formula: C33 H33 Cl Cu N3
• SMILES: [Cu]12(Cl)[N](C3CC([N]1=CC=Cc1ccccc1)CC([N]2=CC=Cc1ccccc1)C3)=CC=Cc1ccccc1
• 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: 21.873 ± 0.007 Å
• b: 22.84 ± 0.004 Å
• c: 12.268 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6129 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.3245
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No