Information card for entry 4101430

Structure parameters

• Formula: C117 H239 Cl3 Cu2 N8 O103
• Calculated formula: C117 H201 Cl3 Cu2 N8 O103
• Title of publication: Complexation, structure, and superoxide dismutase activity of the imidazolate-bridged dinuclear copper moiety with beta-cyclodextrin and its guanidinium-containing derivative.
• Authors of publication: Fu, Heng; Zhou, Ying-Hua; Chen, Wei-Lin; Deqing, Zhuo-Ga; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 15
• Pages of publication: 4924 - 4925
• a: 18.1536 ± 0.0006 Å
• b: 18.1536 ± 0.0006 Å
• c: 52.57 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17324.5 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.2129
• Residual factor for significantly intense reflections: 0.1479
• Weighted residual factors for significantly intense reflections: 0.3702
• Weighted residual factors for all reflections included in the refinement: 0.4194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No