Information card for entry 4312671

Structure parameters

• Formula: C46 H62 Cl2 Cu2 N8 O12
• Calculated formula: C46 H62 Cl2 Cu2 N8 O12
• SMILES: C1c2[n](c(ccc2)C)[Cu]23([N]1(Cc1cccc(C)[n]21)CCc1ncccc1)[O](C)[Cu]12([N](Cc4cccc(C)[n]14)(Cc1[n]2c(ccc1)C)CCc1ncccc1)[O]3C.[O-]Cl(=O)(=O)=O.OC.[O-]Cl(=O)(=O)=O.OC
• 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: 11.642 ± 0.003 Å
• b: 16.689 ± 0.004 Å
• c: 12.885 ± 0.004 Å
• α: 90°
• β: 97.7 ± 0.006°
• γ: 90°
• Cell volume: 2480.9 ± 1.2 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No