Information card for entry 7119674

Structure parameters

• Formula: C38 H30 Cu2 N10 O16
• Calculated formula: C38 H30 Cu2 N10 O16
• SMILES: C1c2cccc3CN4C(=O)c5cccc[n]5[Cu]564N(C(=O)c4cccc[n]54)Cc4cccc(CN5C(=O)c7cccc[n]7[Cu]75(N1C(=O)c1cccc[n]71)[n]23)[n]64.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Oxygen reduction catalyzed by a water-soluble binuclear copper(ii) complex from a neutral aqueous solution.
• Authors of publication: Liu, Chengyu; Lei, Haitao; Zhang, Zongyao; Chen, Fangfang; Cao, Rui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 3189 - 3192
• a: 12.5074 ± 0.0004 Å
• b: 17.8257 ± 0.0006 Å
• c: 20.7658 ± 0.0007 Å
• α: 90°
• β: 97.938 ± 0.001°
• γ: 90°
• Cell volume: 4585.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No