Information card for entry 4129248

Structure parameters

• Formula: C113 H160 Cu F3 N14 O4 P2 S
• Calculated formula: C113 H160 Cu F3 N14 O4 P2 S
• Title of publication: Isolation of bridging and terminal coinage metal-nitrene complexes.
• Authors of publication: Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3800 - 3802
• a: 20.6834 ± 0.0012 Å
• b: 25.1597 ± 0.0016 Å
• c: 24.6629 ± 0.0012 Å
• α: 90°
• β: 112.552 ± 0.002°
• γ: 90°
• Cell volume: 11852.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1197
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No