Information card for entry 4120567

Structure parameters

• Formula: C47 H70 Cl Co N2
• Calculated formula: C47 H70 Cl Co N2
• SMILES: [Co](Cl)(=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• 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: 9.683 ± 0.002 Å
• b: 11.794 ± 0.002 Å
• c: 19.932 ± 0.002 Å
• α: 104.34 ± 0.02°
• β: 95.28 ± 0.02°
• γ: 105.55 ± 0.02°
• Cell volume: 2093.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No