Information card for entry 7004026

Structure parameters

• Formula: C68 H78 N18 O5
• Calculated formula: C68 H76 N18 O5
• Title of publication: A copper complex bearing a TEMPO moiety as catalyst for the aerobic oxidation of primary alcohols
• Authors of publication: Lu, Zhengliang; Costa, José Sánchez; Roubeau, Olivier; Mutikainen, Ilpo; Turpeinen, Urho; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3567 - 3573
• a: 7.7743 ± 0.0016 Å
• b: 29.216 ± 0.006 Å
• c: 14.248 ± 0.003 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 3235.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No