Information card for entry 4349963

Structure parameters

• Common name: {[Cu(NNN-macrocycle)]-OH-[Cu(NNN-macrocycle)]}(Et4N)
• Formula: C58 H67 Cu2 N7 O11
• Calculated formula: C58 H67 Cu2 N7 O11
• 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: 22.1278 ± 0.0003 Å
• b: 12.06401 ± 0.00015 Å
• c: 21.5418 ± 0.0003 Å
• α: 90°
• β: 107.835 ± 0.0014°
• γ: 90°
• Cell volume: 5474.22 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No