Information card for entry 4120564

Structure parameters

• Formula: C51.5 H74 Co2 F3 N2 O3 S
• Calculated formula: C51.5 H74 Co2 F3 N2 O3 S
• Title of publication: Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.
• Authors of publication: Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1770 - 1773
• a: 21.385 ± 0.001 Å
• b: 10.513 ± 0.001 Å
• c: 22.532 ± 0.001 Å
• α: 90°
• β: 107.59 ± 0.02°
• γ: 90°
• Cell volume: 4828.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No