Information card for entry 4101389

Structure parameters

• Formula: C18 H34 Co K N5 O4
• Calculated formula: C18 H34 Co K N5 O4
• SMILES: [K+].[Co]123[N](CC(=O)N1C(C)C)(CC(=O)N2C(C)C)CC(=O)N3C(C)C.O=CN(C)C
• 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: 8.568 ± 0.005 Å
• b: 10.355 ± 0.006 Å
• c: 14.392 ± 0.008 Å
• α: 69.514 ± 0.012°
• β: 84.273 ± 0.012°
• γ: 84.687 ± 0.01°
• Cell volume: 1187.9 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1549
• Residual factor for significantly intense reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.3004
• Weighted residual factors for all reflections included in the refinement: 0.3221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No