Information card for entry 7026974

Structure parameters

• Formula: C34 H55 Cu N O2 Se
• Calculated formula: C34 H55 Cu N O2 Se
• SMILES: [Se]12[Cu](Oc3c1cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c2cc(cc1C(C)(C)C)C(C)(C)C)[N](CC)(CC)CC
• Title of publication: Aerial oxidation of primary alcohols and amines catalyzed by Cu(II) complexes of 2,2'-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atoms
• Authors of publication: Paine, Tapan K.; Weyhermüller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni
• Journal of publication: Dalton Transactions
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 2092 - 2101
• a: 14.1711 ± 0.001 Å
• b: 12.5356 ± 0.0009 Å
• c: 39.248 ± 0.003 Å
• α: 90°
• β: 94.96 ± 0.02°
• γ: 90°
• Cell volume: 6946 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.0891
• Goodness-of-fit parameter for all reflections: 0.997
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No