Information card for entry 4339809

Structure parameters

• Formula: C85.21 H91.28 Cl2.42 Cu2 F6 N8 O10.86 S4
• Calculated formula: C85.21 H91.284 Cl2.42 Cu2 F6 N8 O10.864 S4
• Title of publication: Tripodal bis(imidazole) thioether copper(I) complexes: mimics of the Cu(M) site of copper hydroxylase enzymes.
• Authors of publication: Zhou, Lei; Powell, Douglas; Nicholas, Kenneth M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7789 - 7799
• a: 34.148 ± 0.006 Å
• b: 12.362 ± 0.002 Å
• c: 25.611 ± 0.004 Å
• α: 90°
• β: 115.373 ± 0.005°
• γ: 90°
• Cell volume: 9768 ± 3 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: 0.1268
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2842
• Weighted residual factors for all reflections included in the refinement: 0.3039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No