Information card for entry 4129246

Structure parameters

• Formula: C56 H76 Cu2 F6 N7 O6 P S2
• Calculated formula: C56 H76 Cu2 F6 N7 O6 P S2
• 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: 20.2148 ± 0.0012 Å
• b: 15.337 ± 0.0008 Å
• c: 22.5133 ± 0.0011 Å
• α: 90°
• β: 107.266 ± 0.002°
• γ: 90°
• Cell volume: 6665.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No