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Information card for entry 2204616
Preview
Coordinates | 2204616.cif |
---|---|
Structure factors | 2204616.hkl |
Original IUCr paper | HTML |
Chemical name | [N,N'-Bis(1-{[2-oxido-4-(2-hydroxyethoxy)phenyl]methyl}ethylidene)ethane- 1,2-diamine]copper(II) |
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Formula | C22 H26 Cu N2 O6 |
Calculated formula | C22 H26 Cu N2 O6 |
SMILES | [Cu]123Oc4cc(OCCO)ccc4C(=[N]2CC[N]1=C(c1c(cc(OCCO)cc1)O3)C)C |
Title of publication | [<i>N,N</i>'-Bis(1-{[2-oxido-4-(2-hydroxyethoxy)phenyl]methyl}ethylidene)ethane-1,2-diamine]copper(II) |
Authors of publication | G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; N. Senthil Kumar; A. Raghavan; A. Sultan Nasar |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | m1772 - m1774 |
a | 11.8535 ± 0.0007 Å |
b | 8.6424 ± 0.0005 Å |
c | 21.0047 ± 0.0013 Å |
α | 90° |
β | 101.451 ± 0.001° |
γ | 90° |
Cell volume | 2108.9 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/2204616.html
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Users of the data should acknowledge the original authors of the
structural data.