Information card for entry 4312672

Structure parameters

• Formula: C21 H24 Cl Cu N4 O4
• Calculated formula: C21 H24 Cl Cu N4 O4
• SMILES: [Cu]123[N](CCc4[n]1cccc4)(Cc1[n]2c(ccc1)C)Cc1[n]3c(ccc1)C.[O-]Cl(=O)(=O)=O
• Title of publication: Ligand Effect on Reversible Conversion between Copper(I) and Bis(μ-oxo)dicopper(III) Complex with a Sterically Hindered Tetradentate Tripodal Ligand and Monooxygenase Activity of Bis(μ-oxo)dicopper(III) Complex
• Authors of publication: Masayasu Mizuno; Hideki Hayashi; Shuhei Fujinami; Hideki Furutachi; Shigenori Nagatomo; Shigenori Otake; Kounosuke Uozumi; Masatatsu Suzuki; Teizo Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8534 - 8544
• a: 20.305 ± 0.004 Å
• b: 12.705 ± 0.002 Å
• c: 16.867 ± 0.003 Å
• α: 90°
• β: 100.123 ± 0.007°
• γ: 90°
• Cell volume: 4283.5 ± 1.3 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No