Information card for entry 7026979

Structure parameters

• Formula: C86.5 H125 Cl5 Cu2 O6 Se2
• Calculated formula: C86.5 H125 Cl5 Cu2 O6 Se2
• 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: 18.466 ± 0.002 Å
• b: 21.457 ± 0.003 Å
• c: 44.773 ± 0.005 Å
• α: 90°
• β: 100.57 ± 0.02°
• γ: 90°
• Cell volume: 17439 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections: 0.158
• Weighted residual factors for significantly intense reflections: 0.1379
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No