Information card for entry 4317790

Structure parameters

• Formula: C20 H22 Cu Gd N5 O13
• Calculated formula: C20 H22 Cu Gd N5 O13
• SMILES: [Gd]123456([O]7[Cu]89[O]1c1c([O]3CC)cccc1C=[N]9CC[N]8=Cc1c7c([O]4CC)ccc1)(ON(=O)=[O]5)(ON(=O)=[O]2)[O]=N(=O)O6
• Title of publication: Carboxyester Hydrolysis Catalyzed by a Novel Dicopper(II) Complex with an Alcohol-Pendant Macrocycle
• Authors of publication: Shu-An Li; Jiang Xia; De-Xi Yang; Yan Xu; Dong-Feng Li; Mei-Fang Wu; Wen-Xia Tang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1807 - 1815
• a: 8.585 ± 0.002 Å
• b: 13.791 ± 0.002 Å
• c: 21.196 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2509.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.19
• Weighted residual factors for significantly intense reflections: 0.1004
• Goodness-of-fit parameter for all reflections: 1.148
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No