Information card for entry 4101387

Structure parameters

• Formula: C20 H39.5 Co K N5.5 O4
• Calculated formula: C20.0095 H39.5 Co K N5.5 O4
• Title of publication: A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.
• Authors of publication: Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 48
• Pages of publication: 15476 - 15489
• a: 10.918 ± 0.002 Å
• b: 16.9 ± 0.004 Å
• c: 29.431 ± 0.006 Å
• α: 88.622 ± 0.006°
• β: 83.727 ± 0.005°
• γ: 86.822 ± 0.006°
• Cell volume: 5389 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No