Information card for entry 4304909

Structure parameters

• Formula: C52 H61 Cu2 F12 N8 O4.5 P2 S2
• Calculated formula: C52 H60 Cu2 F12 N8 O4.5 P2 S2
• Title of publication: Imidazole Substituent Effects on Oxidative Reactivity of Tripodal(imid)2(thioether)CuI Complexes
• Authors of publication: Lei Zhou; Kenneth M. Nicholas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4356 - 4367
• a: 24.906 ± 0.012 Å
• b: 14.336 ± 0.006 Å
• c: 17.529 ± 0.008 Å
• α: 90°
• β: 100.24 ± 0.008°
• γ: 90°
• Cell volume: 6159 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.2897
• Weighted residual factors for all reflections included in the refinement: 0.2991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No