Information card for entry 4304908

Structure parameters

• Formula: C48 H54 Cu2 F12 N8 O4 P2 S2
• Calculated formula: C48 H54 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: 20.615 ± 0.006 Å
• b: 13.416 ± 0.004 Å
• c: 11.19 ± 0.003 Å
• α: 90°
• β: 118.276 ± 0.008°
• γ: 90°
• Cell volume: 2725.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No