Information card for entry 7101503

Structure parameters

• Formula: C29 H36 Cl Cu N6 O6.5
• Calculated formula: C29 H36 Cl Cu N6 O6.5
• Title of publication: Mononuclear copper(II)–hydroperoxo complex derived from reaction of copper(I) complex with dioxygen as a model of DβM and PHM
• Authors of publication: Tatsuya Fujii; Syuhei Yamaguchi; Yasuhiro Funahashi; Tomohiro Ozawa; Takehiko Tosha; Teizo Kitagawa; Hideki Masuda
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 42
• a: 9.973 ± 0.005 Å
• b: 12.38 ± 0.03 Å
• c: 14.08 ± 0.03 Å
• α: 112.72 ± 0.13°
• β: 91.375 ± 0.009°
• γ: 98.2 ± 0.04°
• Cell volume: 1581 ± 5 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No