Information card for entry 4304910

Structure parameters

• Formula: C28 H44 Cu2 F12 N8 O4 P2 S2
• Calculated formula: C28 H44 Cu2 F12 N8 O4 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: 17.01 ± 0.008 Å
• b: 17.712 ± 0.009 Å
• c: 6.801 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2049 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No