Information card for entry 4109662

Structure parameters

• Formula: C44 H22 B Cu F20 N4 O
• Calculated formula: C44 H22 B Cu F20 N4 O
• Title of publication: Copper(I)/S8 Reversible Reactions Leading to an End-On Bound Dicopper(II) Disulfide Complex: Nucleophilic Reactivity and Analogies to Copper-Dioxygen Chemistry
• Authors of publication: Debabrata Maiti; Julia S. Woertink; Michael A. Vance; Ashley E. Milligan; Amy A. Narducci Sarjeant; Edward I. Solomon; Kenneth D. Karlin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8882 - 8892
• a: 11.18 ± 0.002 Å
• b: 12.7666 ± 0.0012 Å
• c: 14.9496 ± 0.0008 Å
• α: 82.42 ± 0.006°
• β: 76.793 ± 0.009°
• γ: 81.588 ± 0.012°
• Cell volume: 2044.2 ± 0.4 ų
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No