Information card for entry 4103980

Structure parameters

• Common name: 08036
• Formula: C20 H42 Cu2 F6 N6 O6 S4
• Calculated formula: C20 H42 Cu2 F6 N6 O6 S4
• Title of publication: Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster
• Authors of publication: Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2812 - 2814
• a: 8.696 ± 0.002 Å
• b: 8.497 ± 0.002 Å
• c: 22.674 ± 0.006 Å
• α: 90°
• β: 92.565 ± 0.004°
• γ: 90°
• Cell volume: 1673.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No