Information card for entry 4130169

Structure parameters

• Formula: C162 H179 Cu6 F18 N33 O28 S6 Y2
• Calculated formula: C162 H179 Cu6 F18 N33 O28 S6 Y2
• Title of publication: A trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex.
• Authors of publication: Lionetti, Davide; de Ruiter, Graham; Agapie, Theodor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 15
• Pages of publication: 5008 - 5011
• a: 13.8507 ± 0.0013 Å
• b: 16.8194 ± 0.0017 Å
• c: 21.214 ± 0.002 Å
• α: 105.556 ± 0.003°
• β: 105.602 ± 0.003°
• γ: 94.915 ± 0.003°
• Cell volume: 4518.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0779
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No