Information card for entry 7229365

Structure parameters

• Formula: C26 H20 Cu N2 O2
• Calculated formula: C26 H20 Cu N2 O2
• SMILES: c1(ccccc1)[N]1[Cu]2([N](=Cc3c(cccc3)O2)c2ccccc2)Oc2ccccc2C=1
• Title of publication: Redox-active copper triangles as an enzymatic molecular flask for light-driven hydrogen production
• Authors of publication: Zhao, Liang; Wei, Jianwei; Zhang, Feili; He, Cheng; Zheng, Sijia; Duan, Chunying
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 77
• Pages of publication: 48989
• a: 11.9298 ± 0.0004 Å
• b: 7.9557 ± 0.0003 Å
• c: 12.2145 ± 0.0004 Å
• α: 90°
• β: 112.172 ± 0.002°
• γ: 90°
• Cell volume: 1073.55 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No