Information card for entry 4111615

Structure parameters

• Formula: C129 H144 B2 Cu2 N14 O11
• Calculated formula: C129 H106 B2 Cu2 N14 O11
• Title of publication: Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand
• Authors of publication: Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 5212 - 5223
• a: 14.023 ± 0.005 Å
• b: 15.81 ± 0.006 Å
• c: 17.194 ± 0.007 Å
• α: 104.038 ± 0.007°
• β: 101.808 ± 0.007°
• γ: 105.329 ± 0.008°
• Cell volume: 3416 ± 2 ų
• Cell temperature: 123.2 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 significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.89
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No