Information card for entry 7026977

Structure parameters

• Formula: C88 H128 Cu3 N2 O7 Se3
• Calculated formula: C88 H127 Cu3 N2 O7 Se3
• 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: 15.263 ± 0.004 Å
• b: 17.498 ± 0.005 Å
• c: 18.419 ± 0.006 Å
• α: 76.04 ± 0.02°
• β: 69.81 ± 0.02°
• γ: 88.14 ± 0.02°
• Cell volume: 4474 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2267
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections: 0.2404
• Weighted residual factors for significantly intense reflections: 0.1783
• Goodness-of-fit parameter for all reflections: 0.925
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No