Information card for entry 7104915

Structure parameters

• Common name: IPrCu2StBuBF4
• Formula: C66 H97 B Cu2 F4 N4 O2 S
• Calculated formula: C66 H97 B Cu2 F4 N4 O2 S
• Title of publication: Reversible RS-NO bond cleavage and formation at copper(I) thiolates.
• Authors of publication: Melzer, Marie M; Li, Ercheng; Warren, Timothy H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 5847 - 5849
• a: 12.348 ± 0.003 Å
• b: 17.138 ± 0.004 Å
• c: 17.187 ± 0.004 Å
• α: 75.961 ± 0.003°
• β: 75.033 ± 0.003°
• γ: 72.937 ± 0.003°
• Cell volume: 3303.9 ± 1.4 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: 0.0827
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No