Information card for entry 7027198

Structure parameters

• Chemical name: [(1,1,1-tris(4-amino-1-oxo-2-azabutyl)ethane)cobalt(III)] trihydrate
• Formula: C11 H27 Co N6 O6
• Calculated formula: C11 H27 Co N6 O6
• SMILES: [Co]12345[NH2]CCN1C(=O)C(C(=O)N3CC[NH2]2)(C(=O)N5CC[NH2]4)C.O.O.O
• Title of publication: Synthesis and properties of cobalt(III) complexes of tripodal ligands containing amide functional groups
• Authors of publication: Angus, Patricia M.; Elliott, Anthony J.; Sargeson, Alan M.; Willis, Anthony C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1131
• a: 8.04 ± 0.003 Å
• b: 8.04 Å
• c: 43.73 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2448.1 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.72
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No