Information card for entry 4349972

Structure parameters

• Common name: [Cu(NNN-Naph)-OH-Cu(NNN-Naph)](Et4N).DMF
• Formula: C65 H62 Cu2 N8 O6
• Calculated formula: C65 H62 Cu2 N8 O6
• 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: 14.5931 ± 0.0005 Å
• b: 12.2058 ± 0.0005 Å
• c: 16.6043 ± 0.0005 Å
• α: 90°
• β: 95.409 ± 0.003°
• γ: 90°
• Cell volume: 2944.4 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No