Information card for entry 7026978

Structure parameters

• Formula: C87 H130 Cl2 Cu3 O8 Se3
• Calculated formula: C87 H128 Cl2 Cu3 O8 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: 14.0807 ± 0.0008 Å
• b: 14.7358 ± 0.0008 Å
• c: 22.7829 ± 0.0012 Å
• α: 77.247 ± 0.002°
• β: 80.203 ± 0.002°
• γ: 80.814 ± 0.002°
• Cell volume: 4506.6 ± 0.4 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: 0.0809
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.1027
• Goodness-of-fit parameter for all reflections: 0.961
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No