Information card for entry 4349966

Structure parameters

• Common name: {[Cu(NNN-Ph)]-OH-[Cu(NNN-Ph)]}(Et4N).2DMF
• Formula: C52 H61 Cu2 N9 O7
• Calculated formula: C52 H61 Cu2 N9 O7
• Title of publication: Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile
• Authors of publication: Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1135
• a: 13.2403 ± 0.0004 Å
• b: 14.0874 ± 0.0005 Å
• c: 15.1112 ± 0.0005 Å
• α: 87.056 ± 0.003°
• β: 66.165 ± 0.003°
• γ: 73.731 ± 0.003°
• Cell volume: 2468.79 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No