Information card for entry 7026976

Structure parameters

• Formula: C70 H100 Cu2 N2 O5 Se2
• Calculated formula: C70 H98 Cu2 N2 O5 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: 13.831 ± 0.001 Å
• b: 14.797 ± 0.002 Å
• c: 18.613 ± 0.002 Å
• α: 95.22 ± 0.01°
• β: 90.96 ± 0.01°
• γ: 113.85 ± 0.01°
• Cell volume: 3463.6 ± 0.7 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: 0.1477
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections: 0.1423
• Weighted residual factors for significantly intense reflections: 0.1199
• Goodness-of-fit parameter for all reflections: 0.891
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No