Information card for entry 7006621

Structure parameters

• Formula: C48 H71 Cu N3 O5
• Calculated formula: C48 H70 Cu N3 O5
• Title of publication: (N-Benzyl-bis-N',N''-salicylidene)-cis-1,3,5-triaminocyclohexane copper(II): a novel catalyst for the aerobic oxidation of benzyl alcohol.
• Authors of publication: Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Gilbert, Bruce C.; Maclean, Elizabeth J.; Teat, Simon J.; Walton, Paul H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 172 - 176
• a: 13.2972 ± 0.0012 Å
• b: 15.5508 ± 0.0014 Å
• c: 23.798 ± 0.002 Å
• α: 99.359 ± 0.002°
• β: 102.082 ± 0.002°
• γ: 104.52 ± 0.002°
• Cell volume: 4536.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.6883 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No