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Information card for entry 2232331
Preview
Coordinates | 2232331.cif |
---|---|
Structure factors | 2232331.hkl |
Original IUCr paper | HTML |
Chemical name | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2- phenoxypyrimidine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>) |
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Formula | C28 H28 Cu2 N4 O10 |
Calculated formula | C28 H28 Cu2 N4 O10 |
SMILES | C1(C)=[O][Cu]234([n]5c(nccc5)Oc5ccccc5)[O]=C(C)O[Cu]4(O1)([n]1c(nccc1)Oc1ccccc1)([O]=C(C)O2)[O]=C(C)O3 |
Title of publication | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-phenoxypyrimidine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>) |
Authors of publication | Fairuz, Zainal Abidin; Abdullah, Zanariah; Nasir, Shah Bakhtiar; Ng, Seik Weng; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1637 |
a | 11.0738 ± 0.0009 Å |
b | 7.5002 ± 0.0006 Å |
c | 18.0539 ± 0.0014 Å |
α | 90° |
β | 100.579 ± 0.001° |
γ | 90° |
Cell volume | 1474 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0619 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for significantly intense reflections | 0.1698 |
Weighted residual factors for all reflections included in the refinement | 0.1748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/2232331.html
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