Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2209618
Preview
Coordinates | 2209618.cif |
---|---|
Structure factors | 2209618.hkl |
Original IUCr paper | HTML |
Chemical name | Hexaaquacadmium(II) bis{[N-(2-oxidobenzylidene)alanylglycinato]cuprate(II)} dodecahydrate |
---|---|
Formula | C24 H58 Cd Cu2 N4 O26 |
Calculated formula | C24 H58 Cd Cu2 N4 O26 |
SMILES | c12O[Cu]34[N](=Cc2cccc1)[C@H](C)C(=O)N3CC(=O)O4.[Cd]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.c12ccccc1C=[N]1[C@@H](C)C(=O)N3[Cu]1(O2)OC(=O)C3.O.O.O.O.O |
Title of publication | Hexaaquacadmium(II) bis{[<i>N</i>-(2-oxidobenzylidene)alanylglycinato]cuprate(II)} dodecahydrate |
Authors of publication | Wen-Long Liu; Yan-Yan Zhang; Yao Lu; Xiao-Ya Hu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 7 |
Pages of publication | m1582 - m1583 |
a | 28.635 ± 0.005 Å |
b | 11.815 ± 0.002 Å |
c | 14.584 ± 0.003 Å |
α | 90° |
β | 117.458 ± 0.003° |
γ | 90° |
Cell volume | 4378.3 ± 1.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0627 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.092 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/2209618.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.