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Information card for entry 2231919
Preview
Coordinates | 2231919.cif |
---|---|
Structure factors | 2231919.hkl |
Original IUCr paper | HTML |
Chemical name | {5,5'-Dimethoxy-2,2'-[1,1'-(2,2-dimethylpropane-1,3-diyldinitrilo)\ diethylidyne]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',\ <i>O</i>'}copper(II) monohydrate |
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Formula | C23 H30 Cu N2 O5 |
Calculated formula | C23 H30 Cu N2 O5 |
SMILES | [Cu]123Oc4cc(OC)ccc4C(=[N]2CC(C)(C)C[N]3=C(C)c2ccc(OC)cc2O1)C.O |
Title of publication | {5,5'-Dimethoxy-2,2'-[1,1'-(2,2-dimethylpropane-1,3-diyldinitrilo)diethylidyne]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) monohydrate |
Authors of publication | Ghaemi, Akbar; Rayati, Saeed; Elahi, Ehsan; Ng, Seik Weng; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | m1445 - m1446 |
a | 10.4721 ± 0.0007 Å |
b | 10.8023 ± 0.0009 Å |
c | 10.8487 ± 0.0007 Å |
α | 106.699 ± 0.007° |
β | 99.823 ± 0.005° |
γ | 100.035 ± 0.006° |
Cell volume | 1125.37 ± 0.15 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/2231919.html
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Users of the data should acknowledge the original authors of the
structural data.