Information card for entry 4339810

Structure parameters

• Formula: C90 H108 Cu2 F12 N12 O9 P2 S2
• Calculated formula: C90 H108 Cu2 F12 N12 O9 P2 S2
• 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: 9.702 ± 0.0012 Å
• b: 15.521 ± 0.002 Å
• c: 15.775 ± 0.002 Å
• α: 83.976 ± 0.005°
• β: 79.171 ± 0.005°
• γ: 81.07 ± 0.005°
• Cell volume: 2297.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No