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Information card for entry 2236007
Preview
Coordinates | 2236007.cif |
---|---|
Structure factors | 2236007.hkl |
Original IUCr paper | HTML |
Chemical name | Dianilinium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) hexahydrate |
---|---|
Formula | C26 H34 Cu N4 O14 |
Calculated formula | C26 H34 Cu N4 O14 |
SMILES | C1(=O)c2cccc3[n]2[Cu]24(O1)([n]1c(C(=O)O2)cccc1C(=O)O4)OC3=O.c1(ccccc1)[NH3+].O.O.O.c1(ccccc1)[NH3+].O.O.O |
Title of publication | Dianilinium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) hexahydrate |
Authors of publication | Shokooh Saljooghi, Amir; Amiri Rudbari, Hadi; Nicolò, Francesco; Zahmati, Maliheh; Delavar Mendi, Fatemeh; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 8 |
Pages of publication | m1020 - m1021 |
a | 20.9117 ± 0.0006 Å |
b | 7.9115 ± 0.0002 Å |
c | 19.8842 ± 0.0005 Å |
α | 90° |
β | 117.706 ± 0.002° |
γ | 90° |
Cell volume | 2912.52 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.027 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0713 |
Weighted residual factors for all reflections included in the refinement | 0.0733 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/2236007.html
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