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Information card for entry 4502734
Preview
| Coordinates | 4502734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 Cu2 N4 O17 |
|---|---|
| Calculated formula | C20 H14 Cu2 N4 O17 |
| SMILES | [Cu]12([n]3cc[n]4[Cu]5([n]6c(cccc6)c4c3c3cccc[n]13)OC(=O)CC(=O)O5)OC(=O)CC(=O)O2.O.O.O.O.O.O.O.O.O |
| Title of publication | Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties |
| Authors of publication | Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 599 |
| a | 7.2818 ± 0.0004 Å |
| b | 11.8131 ± 0.0012 Å |
| c | 17.4336 ± 0.0013 Å |
| α | 74.138 ± 0.008° |
| β | 82.298 ± 0.006° |
| γ | 86.668 ± 0.006° |
| Cell volume | 1429.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1052 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1212 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179558 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27. |
4502734.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502734.cif |
| 37735 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4502734 via cif-deposit CGI script. |
4502734.cif |
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