Information card for entry 2015344

Structure parameters

• Chemical name: triacetato-1κO,3κ^4^O,O'-(2,2'-iminodiethanol)-1κ^2^O,O'-bis(2,2'- iminodiethanolato)-1κ^2^O:2κ^6^O,N,O':3κ^2^O'-cobalt(III)copper(II)zinc(II)
• Formula: C18 H38 Co Cu N3 O12 Zn
• Calculated formula: C18 H38 Co Cu N3 O12 Zn
• SMILES: [Zn]123([O]4[Co]5678[O]([Cu]9%10([O]5CC[NH]8CC[O]16)([OH]CC[NH]%10CC[OH]9)OC(=O)C)CC[NH]7CC4)(OC(=[O]2)C)OC(=[O]3)C
• Title of publication: A heterotrimetallic Cu–Co–Zn complex with the 2,2'-iminodiethanol ligand
• Authors of publication: Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m246 - m248
• a: 8.353 ± 0.003 Å
• b: 12.357 ± 0.004 Å
• c: 12.934 ± 0.004 Å
• α: 90°
• β: 103.916 ± 0.005°
• γ: 90°
• Cell volume: 1295.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections: 1.331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes