Information card for entry 4116050

Structure parameters

• Formula: C33 H49 Cl3 Cu2 N8 O18
• Calculated formula: C33 Cl3 Cu2 N8 O18
• Title of publication: Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD
• Authors of publication: Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 5733 - 5741
• a: 9.843 ± 0.002 Å
• b: 18.361 ± 0.002 Å
• c: 25.111 ± 0.003 Å
• α: 90°
• β: 97.84 ± 0.02°
• γ: 90°
• Cell volume: 4495.8 ± 1.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1907
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections: 0.1865
• Weighted residual factors for significantly intense reflections: 0.1321
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No