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Information card for entry 2015344
Preview
Coordinates | 2015344.cif |
---|---|
Structure factors | 2015344.hkl |
Original IUCr paper | HTML |
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) |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2015344.html
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