Information card for entry 7100751

Structure parameters

• Formula: C25 H20 Cu N2 O2
• Calculated formula: C25 H20 Cu N2 O2
• SMILES: [Cu]123Oc4c(ccc5c4cccc5)C=[N]2CCC[N]3=Cc2c(O1)c1ccccc1cc2
• Title of publication: Direct influence of hydrogen-bonding on the reduction potential of a CuII center
• Authors of publication: Thorsten Glaser; Roland Frohlich; Stefan Grimme; Olga M Kataeva; Ioannis Liratzis; Manuel Piacenza
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 22.06 ± 0.001 Å
• b: 10.158 ± 0.001 Å
• c: 17.598 ± 0.001 Å
• α: 90°
• β: 100.97 ± 0.01°
• γ: 90°
• Cell volume: 3871.4 ± 0.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No