Information card for entry 4101186

Structure parameters

• Formula: C40 H48 Cl2 Cu2 N8 O10
• Calculated formula: C40 H42 Cl2 Cu2 N8 O10
• SMILES: [Cu]1234[OH][Cu]56([OH]1)[N](Cc1cc(ccc1)C[N]2(Cc1[n]3c(ccc1)C)Cc1[n]4c(ccc1)C)(Cc1[n]5c(ccc1)C)Cc1[n]6c(ccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Arene Hydroxylation versus Styrene Epoxidation by (m-h2:h2)perpxodicopper(II) Complexes Supported by Dinucleating Ligands
• Authors of publication: Takahiro Matsumoto; Masashi Kobino; Masato Tomii; Hideki Hayashi; Furutachi, Hideki; Shigenori Nagatomo; Takehiko Tosha; Takao Osako; Fujinami, Shuhei; Shinobu Itoh; Teizo Kitagawa; Suzuki, Masatastu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 12.221 ± 0.001 Å
• b: 12.833 ± 0.002 Å
• c: 15.86 ± 0.003 Å
• α: 81.03 ± 0.01°
• β: 83.57 ± 0.02°
• γ: 62.24 ± 0.01°
• Cell volume: 2172 ± 0.6 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No