Information card for entry 4116049

Structure parameters

• Formula: C35 H44 Cl3 Cu2 N11 O15
• Calculated formula: C35 Cl3 Cu2 N11 O15
• 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: 14.475 ± 0.002 Å
• b: 14.554 ± 0.002 Å
• c: 12.27 ± 0.001 Å
• α: 108.474 ± 0.008°
• β: 107.348 ± 0.008°
• γ: 89.14 ± 0.01°
• Cell volume: 2331.1 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.1506
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No