Information card for entry 4307055

Structure parameters

• Formula: C58 H126 Cl2 Cu N3 O56.5
• Calculated formula: C58 H97 Cl2 Cu N3 O56.5
• Title of publication: Synthesis, Structure, and Activity of Supramolecular Mimics for the Active Site and Arg141 Residue of Copper, Zinc-Superoxide Dismutase
• Authors of publication: Ying-Hua Zhou; Heng Fu; Wei-Xi Zhao; Wei-Lin Chen; Cheng-Yong Su; Hongzhe Sun; Liang-Nian Ji; Zong-Wan Mao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 734 - 739
• a: 19.4167 ± 0.0015 Å
• b: 23.8824 ± 0.0019 Å
• c: 37.771 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17515 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No