Information card for entry 2210779

Structure parameters

• Chemical name: Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)
• Formula: C16 H36 Co N2 O10
• Calculated formula: C16 H36 Co N2 O10
• SMILES: C(CO)[N]1(CC[OH]2)CC[OH][Co]3124[N](CCO)(CC[OH]4)CC[OH]3.CC(=O)[O-].CC(=O)[O-]
• Title of publication: Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)
• Authors of publication: Ward, Antony J.; Burger, Matija; Aquino, Cindy; Clegg, Jack K.; Turner, Peter; Masters, Anthony F.; Maschmeyer, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2429 - m2431
• a: 14.847 ± 0.002 Å
• b: 9.548 ± 0.0011 Å
• c: 15.473 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2193.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes