Information card for entry 4116605

Structure parameters

• Formula: C41 H42 Cl6 Cu2 F12 N6 O2 P2
• Calculated formula: C41 H40 Cl6.01 Cu2 F12 N6 O2 P2
• Title of publication: Crystal Structure and Reversible O2-Binding of a Room Temperature Stable μ-η2:η2-Peroxodicopper(II) Complex of a Sterically Hindered Hexapyridine Dinucleating Ligand
• Authors of publication: Masahito Kodera; Kou Katayama; Yoshimitsu Tachi; Koji Kano; Shun Hirota; Shuhei Fujinami; Masatatu Suzuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 11006 - 11007
• a: 14.003 ± 0.003 Å
• b: 15.695 ± 0.003 Å
• c: 12.6 ± 0.004 Å
• α: 98.56 ± 0.02°
• β: 96.49 ± 0.02°
• γ: 69.32 ± 0.02°
• Cell volume: 2556.4 ± 1.2 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1137
• Goodness-of-fit parameter for significantly intense reflections: 1.625
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No