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Information card for entry 4503421
Preview
Coordinates | 4503421.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H17 Cu N4 O6.5 |
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Calculated formula | C17 H12 Cu N4 O6.5 |
SMILES | [Cu]12(OC(=O)CC(=O)O1)([n]1ccnc(c1c1[n]2cccc1)c1ncccc1)[OH2].O.O |
Title of publication | Supramolecular Networks in Copper(II) Malonate Complexes |
Authors of publication | Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 9 |
Pages of publication | 3219 |
a | 16.9047 ± 0.0012 Å |
b | 9.6083 ± 0.001 Å |
c | 23.0491 ± 0.0012 Å |
α | 90° |
β | 90.906 ± 0.007° |
γ | 90° |
Cell volume | 3743.3 ± 0.5 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 | 0.1264 |
Residual factor for significantly intense reflections | 0.0734 |
Weighted residual factors for significantly intense reflections | 0.156 |
Weighted residual factors for all reflections included in the refinement | 0.176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mokα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4503421.html
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