Information card for entry 4113046

Structure parameters

• Formula: C41 H45 Cl2 Co N7 O S
• Calculated formula: C41 H45 Cl2 Co N7 O S
• Title of publication: Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand
• Authors of publication: Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13464 - 13473
• a: 10.667 ± 0.002 Å
• b: 10.702 ± 0.002 Å
• c: 20.707 ± 0.004 Å
• α: 87.212 ± 0.003°
• β: 83.314 ± 0.003°
• γ: 60.477 ± 0.003°
• Cell volume: 2042.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No